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1303.7133
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-040 LHCb-PAPER-2012-047 27 March 2013 Measurements of the branching fractions of $B^{+}\rightarrow p\bar{p}K^{+}$ decays The LHCb collaboration†††Authors are listed on the following pages. The branching fractions of the decay $B^{+}\rightarrow p\bar{p}K^{+}$ for different intermediate states are measured using data, corresponding to an integrated luminosity of $1.0\,{\rm{fb^{-1}}}$, collected by the LHCb experiment. The total branching fraction, its charmless component $(M_{p\bar{p}}<2.85\,{\rm{GeV/}}c^{2})$ and the branching fractions via the resonant $c\bar{c}$ states $\eta_{c}(1S)$ and $\psi(2S)$ relative to the decay via a ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ intermediate state are $\displaystyle\frac{{\mathcal{B}}(B^{+}\rightarrow p\bar{p}K^{+})_{\rm total}}{{\mathcal{B}}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}=$ $\displaystyle\,4.91\pm 0.19\,{(\rm stat)}\pm 0.14\,{(\rm syst)},$ $\displaystyle\frac{{\mathcal{B}}(B^{+}\rightarrow p\bar{p}K^{+})_{M_{p\bar{p}}<2.85\,{\rm{GeV/}}c^{2}}}{{\mathcal{B}}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}=$ $\displaystyle\,2.02\pm 0.10\,{(\rm stat)}\pm 0.08\,{(\rm syst)},$ $\displaystyle\frac{{\mathcal{B}}(B^{+}\rightarrow\eta_{c}(1S)K^{+}\rightarrow p\bar{p}K^{+})}{{\mathcal{B}}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}=$ $\displaystyle\,0.578\pm 0.035\,{(\rm stat)}\pm 0.027\,{(\rm syst)},$ $\displaystyle\frac{{\mathcal{B}}(B^{+}\rightarrow\psi(2S)K^{+}\rightarrow p\bar{p}K^{+})}{{\mathcal{B}}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}=$ $\displaystyle\,0.080\pm 0.012\,{(\rm stat)}\pm 0.009\,{(\rm syst)}.$ Upper limits on the $B^{+}$ branching fractions into the $\eta_{c}(2S)$ meson and into the charmonium-like states $X(3872)$ and $X(3915)$ are also obtained. Submitted to EPJ C © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij38, C. Abellan Beteta33,n, A. Adametz11, B. Adeva34, M. Adinolfi43, C. Adrover6, A. Affolder49, Z. Ajaltouni5, J. Albrecht9, F. Alessio35, M. Alexander48, S. Ali38, G. Alkhazov27, P. Alvarez Cartelle34, A.A. Alves Jr22,35, S. Amato2, Y. Amhis7, L. Anderlini17,f, J. Anderson37, R. Andreassen57, R.B. Appleby51, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 32, M. Artuso53, E. Aslanides6, G. Auriemma22,m, S. Bachmann11, J.J. Back45, C. Baesso54, V. Balagura28, W. Baldini16, R.J. Barlow51, C. Barschel35, S. Barsuk7, W. Barter44, Th. Bauer38, A. Bay36, J. Beddow48, I. Bediaga1, S. Belogurov28, K. Belous32, I. Belyaev28, E. Ben-Haim8, M. Benayoun8, G. Bencivenni18, S. Benson47, J. Benton43, A. Berezhnoy29, R. Bernet37, M.-O. Bettler44, M. van Beuzekom38, A. Bien11, S. Bifani12, T. Bird51, A. Bizzeti17,h, P.M. Bjørnstad51, T. Blake35, F. Blanc36, C. Blanks50, J. Blouw11, S. Blusk53, A. Bobrov31, V. Bocci22, A. Bondar31, N. Bondar27, W. Bonivento15, S. Borghi51, A. Borgia53, T.J.V. Bowcock49, E. Bowen37, C. Bozzi16, T. Brambach9, J. van den Brand39, J. Bressieux36, D. Brett51, M. Britsch10, T. Britton53, N.H. Brook43, H. Brown49, I. Burducea26, A. Bursche37, J. Buytaert35, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez33,n, A. Camboni33, P. Campana18,35, A. Carbone14,c, G. Carboni21,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia47, L. Carson50, K. Carvalho Akiba2, G. Casse49, M. Cattaneo35, Ch. Cauet9, M. Charles52, Ph. Charpentier35, P. Chen3,36, N. Chiapolini37, M. Chrzaszcz 23, K. Ciba35, X. Cid Vidal34, G. Ciezarek50, P.E.L. Clarke47, M. Clemencic35, H.V. Cliff44, J. Closier35, C. Coca26, V. Coco38, J. Cogan6, E. Cogneras5, P. Collins35, A. Comerma-Montells33, A. Contu15,52, A. Cook43, M. Coombes43, S. Coquereau8, G. Corti35, B. Couturier35, G.A. Cowan36, D. Craik45, S. Cunliffe50, R. Currie47, C. D’Ambrosio35, P. David8, P.N.Y. David38, I. De Bonis4, K. De Bruyn38, S. De Capua51, M. De Cian37, J.M. De Miranda1, L. De Paula2, W. De Silva57, P. De Simone18, D. Decamp4, M. Deckenhoff9, H. Degaudenzi36,35, L. Del Buono8, C. Deplano15, D. Derkach14, O. Deschamps5, F. Dettori39, A. Di Canto11, J. Dickens44, H. Dijkstra35, M. Dogaru26, F. Domingo Bonal33,n, S. Donleavy49, F. Dordei11, A. Dosil Suárez34, D. Dossett45, A. Dovbnya40, F. Dupertuis36, R. Dzhelyadin32, A. Dziurda23, A. Dzyuba27, S. Easo46,35, U. Egede50, V. Egorychev28, S. Eidelman31, D. van Eijk38, S. Eisenhardt47, U. Eitschberger9, R. Ekelhof9, L. Eklund48, I. El Rifai5, Ch. Elsasser37, D. Elsby42, A. Falabella14,e, C. Färber11, G. Fardell47, C. Farinelli38, S. Farry12, V. Fave36, D. Ferguson47, V. Fernandez Albor34, F. Ferreira Rodrigues1, M. Ferro- Luzzi35, S. Filippov30, C. Fitzpatrick35, M. Fontana10, F. Fontanelli19,i, R. Forty35, O. Francisco2, M. Frank35, C. Frei35, M. Frosini17,f, S. Furcas20, E. Furfaro21, A. Gallas Torreira34, D. Galli14,c, M. Gandelman2, P. Gandini52, Y. Gao3, J. Garofoli53, P. Garosi51, J. Garra Tico44, L. Garrido33, C. Gaspar35, R. Gauld52, E. Gersabeck11, M. Gersabeck51, T. Gershon45,35, Ph. Ghez4, V. Gibson44, V.V. Gligorov35, C. Göbel54, D. Golubkov28, A. Golutvin50,28,35, A. Gomes2, H. Gordon52, M. Grabalosa Gándara5, R. Graciani Diaz33, L.A. Granado Cardoso35, E. Graugés33, G. Graziani17, A. Grecu26, E. Greening52, S. Gregson44, O. Grünberg55, B. Gui53, E. Gushchin30, Yu. Guz32, T. Gys35, C. Hadjivasiliou53, G. Haefeli36, C. Haen35, S.C. Haines44, S. Hall50, T. Hampson43, S. Hansmann-Menzemer11, N. Harnew52, S.T. Harnew43, J. Harrison51, P.F. Harrison45, T. Hartmann55, J. He7, V. Heijne38, K. Hennessy49, P. Henrard5, J.A. Hernando Morata34, E. van Herwijnen35, E. Hicks49, D. Hill52, M. Hoballah5, C. Hombach51, P. Hopchev4, W. Hulsbergen38, P. Hunt52, T. Huse49, N. Hussain52, D. Hutchcroft49, D. Hynds48, V. Iakovenko41, P. Ilten12, R. Jacobsson35, A. Jaeger11, E. Jans38, F. Jansen38, P. Jaton36, F. Jing3, M. John52, D. Johnson52, C.R. Jones44, B. Jost35, M. Kaballo9, S. Kandybei40, M. Karacson35, T.M. Karbach35, I.R. Kenyon42, U. Kerzel35, T. Ketel39, A. Keune36, B. Khanji20, O. Kochebina7, I. Komarov36,29, R.F. Koopman39, P. Koppenburg38, M. Korolev29, A. Kozlinskiy38, L. Kravchuk30, K. Kreplin11, M. Kreps45, G. Krocker11, P. Krokovny31, F. Kruse9, M. Kucharczyk20,23,j, V. Kudryavtsev31, T. Kvaratskheliya28,35, V.N. La Thi36, D. Lacarrere35, G. Lafferty51, A. Lai15, D. Lambert47, R.W. Lambert39, E. Lanciotti35, G. Lanfranchi18,35, C. Langenbruch35, T. Latham45, C. Lazzeroni42, R. Le Gac6, J. van Leerdam38, J.-P. Lees4, R. Lefèvre5, A. Leflat29,35, J. Lefrançois7, O. Leroy6, Y. Li3, L. Li Gioi5, M. Liles49, R. Lindner35, C. Linn11, B. Liu3, G. Liu35, J. von Loeben20, J.H. Lopes2, E. Lopez Asamar33, N. Lopez-March36, H. Lu3, J. Luisier36, H. Luo47, F. Machefert7, I.V. Machikhiliyan4,28, F. Maciuc26, O. Maev27,35, S. Malde52, G. Manca15,d, G. Mancinelli6, N. Mangiafave44, U. Marconi14, R. Märki36, J. Marks11, G. Martellotti22, A. Martens8, L. Martin52, A. Martín Sánchez7, M. Martinelli38, D. Martinez Santos39, D. Martins Tostes2, A. Massafferri1, R. Matev35, Z. Mathe35, C. Matteuzzi20, M. Matveev27, E. Maurice6, A. Mazurov16,30,35,e, J. McCarthy42, R. McNulty12, B. Meadows57,52, F. Meier9, M. Meissner11, M. Merk38, D.A. Milanes8, M.-N. Minard4, J. Molina Rodriguez54, S. Monteil5, D. Moran51, P. Morawski23, R. Mountain53, I. Mous38, F. Muheim47, K. Müller37, R. Muresan26, B. Muryn24, B. Muster36, P. Naik43, T. Nakada36, R. Nandakumar46, I. Nasteva1, M. Needham47, N. Neufeld35, A.D. Nguyen36, T.D. Nguyen36, C. Nguyen-Mau36,o, M. Nicol7, V. Niess5, R. Niet9, N. Nikitin29, T. Nikodem11, S. Nisar56, A. Nomerotski52, A. Novoselov32, A. Oblakowska-Mucha24, V. Obraztsov32, S. Oggero38, S. Ogilvy48, O. Okhrimenko41, R. Oldeman15,d,35, M. Orlandea26, J.M. Otalora Goicochea2, P. Owen50, B.K. Pal53, A. Palano13,b, M. Palutan18, J. Panman35, A. Papanestis46, M. Pappagallo48, C. Parkes51, C.J. Parkinson50, G. Passaleva17, G.D. Patel49, M. Patel50, G.N. Patrick46, C. Patrignani19,i, C. Pavel-Nicorescu26, A. Pazos Alvarez34, A. Pellegrino38, G. Penso22,l, M. Pepe Altarelli35, S. Perazzini14,c, D.L. Perego20,j, E. Perez Trigo34, A. Pérez- Calero Yzquierdo33, P. Perret5, M. Perrin-Terrin6, G. Pessina20, K. Petridis50, A. Petrolini19,i, A. Phan53, E. Picatoste Olloqui33, B. Pietrzyk4, T. Pilař45, D. Pinci22, S. Playfer47, M. Plo Casasus34, F. Polci8, G. Polok23, A. Poluektov45,31, E. Polycarpo2, D. Popov10, B. Popovici26, C. Potterat33, A. Powell52, J. Prisciandaro36, V. Pugatch41, A. Puig Navarro36, W. Qian4, J.H. Rademacker43, B. Rakotomiaramanana36, M.S. Rangel2, I. Raniuk40, N. Rauschmayr35, G. Raven39, S. Redford52, M.M. Reid45, A.C. dos Reis1, S. Ricciardi46, A. Richards50, K. Rinnert49, V. Rives Molina33, D.A. Roa Romero5, P. Robbe7, E. Rodrigues51, P. Rodriguez Perez34, G.J. Rogers44, S. Roiser35, V. Romanovsky32, A. Romero Vidal34, J. Rouvinet36, T. Ruf35, H. Ruiz33, G. Sabatino22,k, J.J. Saborido Silva34, N. Sagidova27, P. Sail48, B. Saitta15,d, C. Salzmann37, B. Sanmartin Sedes34, M. Sannino19,i, R. Santacesaria22, C. Santamarina Rios34, E. Santovetti21,k, M. Sapunov6, A. Sarti18,l, C. Satriano22,m, A. Satta21, M. Savrie16,e, D. Savrina28,29, P. Schaack50, M. Schiller39, H. Schindler35, S. Schleich9, M. Schlupp9, M. Schmelling10, B. Schmidt35, O. Schneider36, A. Schopper35, M.-H. Schune7, R. Schwemmer35, B. Sciascia18, A. Sciubba18,l, M. Seco34, A. Semennikov28, K. Senderowska24, I. Sepp50, N. Serra37, J. Serrano6, P. Seyfert11, M. Shapkin32, I. Shapoval40,35, P. Shatalov28, Y. Shcheglov27, T. Shears49,35, L. Shekhtman31, O. Shevchenko40, V. Shevchenko28, A. Shires50, R. Silva Coutinho45, T. Skwarnicki53, N.A. Smith49, E. Smith52,46, M. Smith51, K. Sobczak5, M.D. Sokoloff57, F.J.P. Soler48, F. Soomro18,35, D. Souza43, B. Souza De Paula2, B. Spaan9, A. Sparkes47, P. Spradlin48, F. Stagni35, S. Stahl11, O. Steinkamp37, S. Stoica26, S. Stone53, B. Storaci37, M. Straticiuc26, U. Straumann37, V.K. Subbiah35, S. Swientek9, V. Syropoulos39, M. Szczekowski25, P. Szczypka36,35, T. Szumlak24, S. T’Jampens4, M. Teklishyn7, E. Teodorescu26, F. Teubert35, C. Thomas52, E. Thomas35, J. van Tilburg11, V. Tisserand4, M. Tobin37, S. Tolk39, D. Tonelli35, S. Topp-Joergensen52, N. Torr52, E. Tournefier4,50, S. Tourneur36, M.T. Tran36, M. Tresch37, A. Tsaregorodtsev6, P. Tsopelas38, N. Tuning38, M. Ubeda Garcia35, A. Ukleja25, D. Urner51, U. Uwer11, V. Vagnoni14, G. Valenti14, R. Vazquez Gomez33, P. Vazquez Regueiro34, S. Vecchi16, J.J. Velthuis43, M. Veltri17,g, G. Veneziano36, M. Vesterinen35, B. Viaud7, D. Vieira2, X. Vilasis-Cardona33,n, A. Vollhardt37, D. Volyanskyy10, D. Voong43, A. Vorobyev27, V. Vorobyev31, C. Voß55, H. Voss10, R. Waldi55, R. Wallace12, S. Wandernoth11, J. Wang53, D.R. Ward44, N.K. Watson42, A.D. Webber51, D. Websdale50, M. Whitehead45, J. Wicht35, J. 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Zvyagin35. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Roma Tor Vergata, Roma, Italy 22Sezione INFN di Roma La Sapienza, Roma, Italy 23Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 24AGH University of Science and Technology, Kraków, Poland 25National Center for Nuclear Research (NCBJ), Warsaw, Poland 26Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 27Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 28Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 29Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 30Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 31Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 32Institute for High Energy Physics (IHEP), Protvino, Russia 33Universitat de Barcelona, Barcelona, Spain 34Universidad de Santiago de Compostela, Santiago de Compostela, Spain 35European Organization for Nuclear Research (CERN), Geneva, Switzerland 36Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 37Physik-Institut, Universität Zürich, Zürich, Switzerland 38Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 39Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 40NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 41Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 42University of Birmingham, Birmingham, United Kingdom 43H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 44Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 45Department of Physics, University of Warwick, Coventry, United Kingdom 46STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 47School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 48School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 49Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 50Imperial College London, London, United Kingdom 51School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 52Department of Physics, University of Oxford, Oxford, United Kingdom 53Syracuse University, Syracuse, NY, United States 54Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 55Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 56Institute of Information Technology, COMSATS, Lahore, Pakistan, associated to 53 57University of Cincinnati, Cincinnati, OH, United States, associated to 53 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oHanoi University of Science, Hanoi, Viet Nam pMassachusetts Institute of Technology, Cambridge, MA, United States ## 1 Introduction The $B^{+}\rightarrow p\bar{p}K^{+}$ decay111The inclusion of charge-conjugate modes is implied throughout the paper. offers a clean environment to study $c\bar{c}$ states and charmonium-like mesons that decay to $p\bar{p}$ and excited ${\bar{}\mathchar 28931\relax}$ baryons that decay to $\bar{p}K^{+}$, and to search for glueballs or exotic states. The presence of $p\bar{p}$ in the final state allows intermediate states of any quantum numbers to be studied and the existence of the charged kaon in the final state significantly enhances the signal to background ratio in the selection procedure. Measurements of intermediate charmonium-like states, such as the $X(3872)$, are important to clarify their nature [1, 2] and to determine their partial width to $p\bar{p}$, which is crucial to predict the production rate of these states in dedicated experiments [3]. BaBar and Belle have previously measured the $B^{+}\rightarrow p\bar{p}K^{+}$ branching fraction, including contributions from the $J/\psi$ and $\eta_{c}(1S)$ intermediate states [4, 5]. The data sample, corresponding to an integrated luminosity of $1.0\,{\rm{fb^{-1}}}$, collected by LHCb at $\sqrt{s}=7\,{\rm{TeV}}$ allows the study of substructures in the $B^{+}\rightarrow p\bar{p}K^{+}$ decays with a sample ten times larger than those available at previous experiments. In this paper we report measurements of the ratios of branching fractions ${\cal R}({\rm mode})=\frac{{\cal B}(B^{+}\rightarrow{\rm mode}\rightarrow p\bar{p}K^{+})}{{\cal B}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})},$ (1) where “mode” corresponds to the intermediate $\eta_{c}(1S)$, $\psi(2S)$, $\eta_{c}(2S)$, $\chi_{c0}(1P)$, $h_{c}(1P)$, $X(3872)$ or $X(3915)$ states, together with a kaon. ## 2 Detector and software The LHCb detector [6] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift-tubes placed downstream. The combined tracking system has momentum $(p)$ resolution $\Delta p/p$ that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter resolution of 20$\,\upmu\rm m$ for tracks with high transverse momentum ($p_{\rm T}$). Charged hadrons are identified using two ring-imaging Cherenkov (RICH) detectors. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and pre-shower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The trigger [7] consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage where candidates are fully reconstructed. The hardware trigger selects hadrons with high transverse energy in the calorimeter. The software trigger requires a two-, three- or four-track secondary vertex with a high $p_{\rm T}$ sum of the tracks and a significant displacement from the primary $pp$ interaction vertices (PVs). At least one track should have $\mbox{$p_{\rm T}$}>1.7{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and impact parameter (IP) $\chi^{2}$ with respect to the primary interaction greater than 16. The IP $\chi^{2}$ is defined as the difference between the $\chi^{2}$ of the PV reconstructed with and without the considered track. A multivariate algorithm is used for the identification of secondary vertices consistent with the decay of a $b$ hadron. Simulated $B^{+}\rightarrow p\bar{p}K^{+}$ decays, generated uniformly in phase space, are used to optimize the signal selection and to evaluate the ratio of the efficiencies for each considered channel with respect to the $J/\psi$ channel. Separate samples of $B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+}$ and $B^{+}\rightarrow\eta_{c}(1S)K^{+}\rightarrow p\bar{p}K^{+}$ decays, generated with the known angular distributions, are used to check the dependence of the efficiency ratio on the angular distribution. In the simulation, $pp$ collisions are generated using Pythia 6.4 [8] with a specific LHCb configuration [9]. Decays of hadronic particles are described by EvtGen [10] in which final state radiation is generated by Photos [11]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [12, *Agostinelli:2002hh] as described in Ref. [14]. ## 3 Candidate selection Candidate $B^{+}\rightarrow p\bar{p}K^{+}$ decays are reconstructed from any combination of three charged tracks with total charge of $+1$. The final state particles are required to have a track fit with a $\chi^{2}/{\rm ndf}<3$ where ndf is the number of degrees of freedom. They must also have $p>1500\,{\rm{MeV/}}c$, $p_{\rm T}$ $>100\,{\rm{MeV}}/c$, and IP $\chi^{2}>1$ with respect to any primary vertex in the event. Particle identification (PID) requirements, based on the RICH detector information, are applied to $p$ and $\bar{p}$ candidates. The discriminating variables between different particle hypotheses ($\pi$, $K$, $p$) are the differences between log-likelihood values $\Delta$ln${\mathcal{L}}_{\alpha\beta}$ under particle hypotheses $\alpha$ and $\beta$, respectively. The $p$ and $\bar{p}$ candidates are required to have $\Delta$ln${\mathcal{L}}_{p\pi}>-5$. The reconstructed $B^{+}$ candidates are required to have an invariant mass in the range $5079-5579\,{\rm{MeV/}}c^{2}$. The asymmetric invariant mass range around the nominal $B^{+}$ mass is designed to select also $B^{+}\rightarrow p\bar{p}\pi^{+}$ candidates without any requirement on the PID of the kaon. The PV associated to each $B^{+}$ candidate is defined to be the one for which the $B^{+}$ candidate has the smallest IP $\chi^{2}$. The $B^{+}$ candidate is required to have a vertex fit with a $\chi^{2}/{\rm ndf}<12$ and a distance greater than $3\,{\rm{mm}}$, a $\chi^{2}$ for the flight distance greater than $500$, and an IP $\chi^{2}<10$ with respect to the associated PV. The maximum distance of closest approach between daughter tracks has to be less than $0.2\,{\rm{mm}}$. The angle between the reconstructed momentum of the $B^{+}$ candidate and the $B^{+}$ flight direction ($\theta_{\rm fl}$) is required to have $\cos\theta_{\rm fl}>0.99998$. The reconstructed candidates that meet the above criteria are filtered using a boosted decision tree (BDT) algorithm [15]. The BDT is trained with a sample of simulated $B^{+}\rightarrow p\bar{p}K^{+}$ signal candidates and a background sample of data candidates taken from the invariant mass sidebands in the ranges $5080-5220\,{\rm{MeV/}}c^{2}$ and $5340-5480\,{\rm{MeV/}}c^{2}$. The variables used by the BDT to discriminate between signal and background candidates are: the $p_{\rm T}$ of each reconstructed track; the sum of the daughters’ $p_{T}$; the sum of the IP $\chi^{2}$ of the three daughter tracks with respect to the primary vertex; the IP of the daughter, with the highest $p_{\rm T}$, with respect to the primary vertex; the number of daughters with $p_{\rm T}$ $>900\,{\rm{GeV/}}c$; the maximum distance of closest approach between any two of the $B^{+}$ daughter particles; the IP of the $B^{+}$ candidate with respect to the primary vertex; the distance between primary and secondary vertices; the $\theta_{\rm fl}$ angle; the $\chi^{2}/{\rm ndf}$ of the secondary vertex; a pointing variable defined as $\frac{P\sin\theta}{P\sin\theta+\sum_{i}p_{\rm T,i}}$, where $P$ is the total momentum of the three-particle final state, $\theta$ is the angle between the direction of the sum of the daughter’s momentum and the direction of the flight distance of the $B^{+}$ and $\sum_{i}p_{{\rm T},i}$ is the sum of the transverse momenta of the daughters; and the log likelihood difference for each daughter between the assumed PID hypothesis and the pion hypothesis. The selection criterion on the BDT response (Fig. 1) is chosen in order to have a signal to background ratio of the order of unity. This corresponds to a BDT response value of $-0.11$. The efficiency of the BDT selection is greater than $92\%$ with a background rejection greater than $86\%$. Figure 1: Distribution of the BDT algorithm response evaluated for background candidates from the data sidebands (red), and signal candidates from simulation (blue). The black dotted line indicates the chosen BDT response value. Figure 2: Invariant mass distribution of a) all selected $B^{+}\rightarrow p\bar{p}K^{+}$ candidates and b) candidates having $M_{p\bar{p}}<2.85\,{\rm{GeV/}}c^{2}$. The points with error bars are the data and the solid lines are the result of the fit. The dotted lines represent the two Gaussian functions (red) and the dashed line the linear function (green) used to parametrize the signal and the background, respectively. The vertical lines indicate the signal region. The two plots below the mass distributions show the pulls. ## 4 Signal yield determination Figure 3: Invariant mass distribution of the $p\bar{p}$ system for $B^{+}\rightarrow p\bar{p}K^{+}$ candidates within the $B^{+}$ mass signal window, $|M(p\bar{p}K^{+})-M_{B^{+}}|<50\,{\rm{MeV/}}c^{2}$. The dotted lines represent the Gaussian and Voigtian functions (red) and the dashed line the smooth function (green) used to parametrize the signal and the background, respectively. The bottom plot shows the pulls. Figure 4: Invariant mass distribution of the $p\bar{p}$ system in the regions around a) the $\eta_{c}(1S)$ and $J/\psi$ and b) the $\eta_{c}(2S)$ and $\psi(2S)$ states. The dotted lines represent the Gaussian and the Voigtian functions (red) and the dashed line the smooth function (green) used to parametrize the signal and the background, respectively. The two plots below the mass distribution show the pulls. Figure 5: Invariant mass distribution of the $p\bar{p}$ system in the regions around a) the $\chi_{c0}(1P)$ and $h_{c}$ and b) the $X(3872)$ and $X(3915)$ states. The dotted lines represent the Gaussian and Voigitian functions (red) and the dashed line the smooth function (green) used to parametrize the signal and the background, respectively. The two plots below the mass distribution show the pulls. The signal yield is determined from an unbinned extended maximum likelihood fit to the invariant mass of selected $B^{+}\rightarrow p\bar{p}K^{+}$ candidates, shown in Fig. 2a). The signal component is parametrized as the sum of two Gaussian functions with the same mean and different widths. The background component is parametrized as a linear function. The signal yield of the charmless component is determined by performing the same fit described above to the sample of $B^{+}\rightarrow p\bar{p}K^{+}$ candidates with $M_{p\bar{p}}<2.85\,{\rm{GeV/}}c^{2}$, shown in Fig. 2b). The $B^{+}$ mass and widths, evaluated with the invariant mass fits to all of the $B^{+}\rightarrow p\bar{p}K^{+}$ candidates, are compatible with the values obtained for the charmless component. The signal yields for the charmonium contributions, $B^{+}\rightarrow(c\bar{c})K^{+}\rightarrow p\bar{p}K^{+}$, are determined by fitting the $p\bar{p}$ invariant mass distribution of $B^{+}\rightarrow p\bar{p}K^{+}$ candidates within the $B^{+}$ mass signal window, $|M_{p\bar{p}K^{+}}-M_{B^{+}}|<50\,{\rm{MeV/}}c^{2}$. Simulations show that no narrow structures are induced in the $p\bar{p}$ spectrum as kinematic reflections of possible $B^{+}\rightarrow p{\it\bar{\Lambda}}\rightarrow p\bar{p}K^{+}$ intermediate states. An unbinned extended maximum likelihood fit to the $p\bar{p}$ invariant mass distribution, shown in Fig. 3, is performed over the mass range $2400-4500\,{\rm{MeV/}}c^{2}$. The signal components of the narrow resonances $J/\psi$, $\psi(2S)$, $h_{c}(1P)$, and $X(3872)$, whose natural widths are much smaller than the $p\bar{p}$ invariant mass resolution, are parametrized by Gaussian functions. The signal components for the $\eta_{c}(1S)$, $\chi_{c0}(1P)$, $\eta_{c}(2S)$, and $X(3915)$ are parametrized by Voigtian functions.222A Voigtian function is the convolution of a Breit-Wigner function with a Gaussian distribution. Since the $p\bar{p}$ invariant mass resolution is approximately constant in the explored range, the resolution parameters for all resonances, except the $\psi(2S)$, are fixed to the $J/\psi$ value ($\sigma_{J/\psi}=8.9\pm 0.2\,{\rm{MeV/}}c^{2}$). The background shape is parametrized as $f(M)=e^{c_{1}M+c_{2}M^{2}}$ where $c_{1}$ and $c_{2}$ are fit parameters. The $J/\psi$ and $\psi(2S)$ resolution parameters, the mass values of the $\eta_{c}(1S)$, $J/\psi$, and $\psi(2S)$ states, and the $\eta_{c}(1S)$ natural width are left free in the fit. The masses and widths for the other signal components are fixed to the corresponding world averages [16]. The $p\bar{p}$ invariant mass resolution, determined by the fit to the $\psi(2S)$ is $\sigma_{\psi(2S)}=7.9\pm 1.7\,{\rm{MeV/}}c^{2}$. The fit result is shown in Fig. 3. Figures 4 and 5 show the details of the fit result in the regions around the $\eta_{c}(1S)$ and $J/\psi$, $\eta_{c}(2S)$ and $\psi(2S)$, $\chi_{c0}(1P)$ and $h_{c}$, and $X(3872)$ and $X(3915)$ resonances. Any bias introduced by the inaccurate description of the tails of the $\eta_{c}(1S)$, $J/\psi$ and $\psi(2S)$ resonances is taken into account in the systematic uncertainty evaluation. The contribution of $c\bar{c}\rightarrow p\bar{p}$ from processes other than $B^{+}\rightarrow p\bar{p}K^{+}$ decays, denoted as “non-signal”, is estimated from a fit to the $p\bar{p}$ mass in the $B^{+}$ mass sidebands $5130-5180$ and $5380-5430\,{\rm{MeV/}}c^{2}$. Except for the $J/\psi$ mode, no evidence of a non-signal contribution is found. The non-signal contribution to the $J/\psi$ signal yield in the $B^{+}$ mass window is $43\pm 11$ candidates and is subtracted from the number of $J/\psi$ signal candidates. The signal yields, corrected for the non-signal contribution, are reported in Table 1. For the intermediate charmonium states $\eta_{c}(2S)$, $\chi_{c0}(1P)$, $h_{c}(1P)$, $X(3872)$ and $X(3915)$, there is no evidence of signal. The $95\%\,{\rm{CL}}$ upper limits on the number of candidates are shown in Table 1 and are determined from the likelihood profile integrating over the nuisance parameters. Since for the $X(3872)$ the fitted signal yield is negative, the upper limit has been calculated integrating the likelihood only in the physical region of a signal yield greater than zero. Table 1: Signal yields for the different channels and corresponding 95% CL upper limits for modes with less than 3$\sigma$ statistical significance. For the $J/\psi$ mode, the non-signal yield is subtracted. Uncertainties are statistical only. $B^{+}$ decay mode | Signal yield | Upper limit (95% CL) ---|---|--- $p\bar{p}K^{+}\;{\rm[total]}$ | $6951\,$$\pm$ | $\,176$ | $p\bar{p}K^{+}\;[M_{p\bar{p}}<2.85\,{\rm{GeV/}}c^{2}]$ | $3238\,$$\pm$ | $\,122$ | ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ | $1458\,$$\pm$ | $\,42$ | $\eta_{c}(1S)K^{+}$ | $856\,$$\pm$ | $\,46$ | $\psi(2S)K^{+}$ | $107\,$$\pm$ | $\,16$ | $\eta_{c}(2S)K^{+}$ | $39\,$$\pm$ | $\,15$ | $<65.4$ $\chi_{c0}(1P)K^{+}$ | $15\,$$\pm$ | $\,13$ | $<38.1$ $h_{c}(1P)K^{+}$ | $21\,$$\pm$ | $\,11$ | $<40.2$ $X(3872)K^{+}$ | $-9\,$$\pm$ | $\,8$ | $<10.3$ $X(3915)K^{+}$ | $13\,$$\pm$ | $\,17$ | $<42.1$ ## 5 Efficiency determination The ratio of branching fractions is calculated using ${\cal R}({\rm mode})=\frac{{\cal B}(B^{+}\rightarrow{\rm mode}\rightarrow p\bar{p}K^{+})}{{\cal B}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}=\frac{N_{\rm mode}}{N_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}}\times\frac{\epsilon_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}}{\epsilon_{\rm mode}},$ (2) where $N_{\rm mode}$ and $N_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}$ are the signal yields for the given mode and the reference mode, $B^{+}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}\rightarrow p\bar{p}K^{+}$, and $\epsilon_{\rm mode}/\epsilon_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}$ is the corresponding ratio of efficiencies. The efficiency is the product of the reconstruction, trigger, and selection efficiencies, and is estimated using simulated data samples. Figure 6: Efficiency as a function of $M_{p\bar{p}}$ for $B^{+}\rightarrow p\bar{p}K^{+}$ decays. The solid line represents the linear fit to the efficiency distribution; the dashed line is the point-by-point interpolation used to estimate the systematic uncertainty. Since the track multiplicity distribution for simulated events differs from that observed in data, simulated candidates are assigned a weight so that the weighted distribution reproduces the observed multiplicity distribution. The distributions of $\Delta$ln${\mathcal{L}}_{K\pi}$ and $\Delta$ln${\mathcal{L}}_{p\pi}$ for kaons and protons in data are obtained in bins of momentum, pseudorapidity and number of tracks from control samples of $D^{*+}\rightarrow D^{0}(\rightarrow K^{-}\pi^{+})\pi^{+}$ decays for kaons and ${\it\mathchar 28931\relax}\rightarrow p\pi^{-}$ decays for protons, which are then used on a track-by-track basis to correct the simulation. The efficiency as a function of $M_{p\bar{p}}$ is shown in Fig. 6. A linear fit to the efficiency distribution is performed and the efficiency ratios are determined based on the fit result. Table 2: Relative systematic uncertainties (in $\%$) on the relative branching fractions from different sources. The total systematic uncertainty is determined by adding the individual contributions in quadrature. Source | ${\cal R}({\rm total})$ | ${\cal R}(M_{p\bar{p}}<2.85\,{\rm{GeV/}}c^{2})$ | ${\cal R}(\eta_{c}(1S))$ | ${\cal R}(\psi(2S))$ ---|---|---|---|--- Efficiency ratio | 0.21 | 0.5 | 3.3 | 4.8 $B^{+}$ mass fit range | 0.16 | 0.5 | $-$ | $-$ Sig. and Bkg. shape | 2.5 | 3.6 | 1.8 | 6.5 $B^{+}$ mass window | 0.6 | 0.6 | 0.9 | 3.8 Non-signal component | $-$ | $-$ | 0.4 | 5.1 Signal tail param. | 1.0 | 1.0 | 1.2 | 4.3 Total | 2.8 | 3.8 | 4.1 | 11.3 Source | ${\cal R}(\eta_{c}(2S))$ | ${\cal R}(\chi_{c0}(1P))$ | ${\cal R}(h_{c}(1P))$ | ${\cal R}(X(3872))$ | ${\cal R}(X(3915))$ ---|---|---|---|---|--- Efficiency ratio | 4.4 | 2.5 | 3.4 | 6.5 | 7.0 $B^{+}$ mass fit range | $-$ | $-$ | $-$ | $-$ | Sig. and Bkg. shape | 3.9 | 3.3 | 14.3 | 5.6 | 10.1 $B^{+}$ mass window | 11.3 | 23.6 | 23.6 | 17.5 | 7.5 Non-signal component | $-$ | $-$ | $-$ | $-$ | $-$ Signal tail param. | 1.0 | 1.0 | 1.0 | 1.0 | 1.0 Total | 12.8 | 24.0 | 27.8 | 19.5 | 15.5 ## 6 Systematic uncertainties The measurements of the relative branching fractions depend on the ratios of signal yields and efficiencies with respect to the reference mode. Since the final state is the same in all cases, most of the systematic uncertainties cancel. The systematic uncertainty on the efficiency ratio, in each region of $p\bar{p}$ invariant mass, is determined from the difference between the efficiency ratios calculated using the solid fitted line and the dashed point- by-point interpolation shown in Fig. 6. The uncertainty associated with the evaluation of the $B^{+}$ signal yield has been determined by varying the fit range by $\pm 30\,{\rm{MeV/}}c^{2}$, using a single Gaussian instead of a double Gaussian function to model the signal PDF, and using an exponential function to model the background. For each charmonium resonance the systematic uncertainty on the signal yield has been investigated by varying the $B$ mass signal window by $\pm 10\,{\rm{MeV/}}c^{2}$, the signal and background shape parametrization and the subtraction of the $c\bar{c}$ contribution from the continuum. The systematic uncertainty associated with the parametrization of the signal tails of the $J/\psi$, $\eta_{c}(1S)$ and $\psi(2S)$ resonances is taken into account by taking the difference between the number of candidates in the observed distribution and the number of candidates calculated from the integral of the fit function in the range $-6\sigma$ to $-2.5\sigma$. The systematic uncertainty associated with the selection procedure is estimated by changing the value of the BDT selection to $-0.03$, which retains $85\%$ of the signal with a $30\%$ background, and is found to be negligible. The contributions to the systematic uncertainties from the different sources are listed in Table 2. The total systematic uncertainty is determined by adding the individual contributions in quadrature. ## 7 Results The results are summarized in Table 3 and the values of the product of branching fractions derived from our measurement using the world average values ${\cal B}(B^{+}\rightarrow J/\psi K^{+})=(1.013\pm 0.034)\times 10^{-3}$ and ${\cal B}(J/\psi\rightarrow p\bar{p})=(2.17\pm 0.07)\times 10^{-3}$ [16] are listed in Table 4. Table 3: Signal yields, efficiency ratios, ratios of branching fractions and corresponding upper limits. $B^{+}\rightarrow({\rm mode})$ | Yield | $\epsilon_{\rm mode}/\epsilon_{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ | ${\cal R}({\rm mode})$ | Upper Limit ---|---|---|---|--- $\rightarrow p\bar{p}K^{+}$ | $\pm$ stat $\pm$ syst | $\pm$ syst | $\pm$ stat $\pm$ syst | $95\%$ CL ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ | $1458\,$$\pm$ | $\,42\,$$\pm$ | $\,24$ | $-$ | 1 | $-$ total | $6951\,$$\pm$ | $\,176\,$$\pm$ | $\,171$ | $0.970\pm 0.002$ | $4.91\,$$\pm$ | $\,0.19\,$$\pm$ | $\,0.14$ | $-$ ${M_{p\bar{p}}<2.85\,{\rm{GeV/}}c^{2}}$ | $3238\,$$\pm$ | $\,122\,$$\pm$ | $\,121$ | $1.097\pm 0.006$ | $2.02\,$$\pm$ | $\,0.10\,$$\pm$ | $\,0.08$ | $-$ $\eta_{c}(1S)K^{+}$ | $856\,$$\pm$ | $\,46\,$$\pm$ | $\,19$ | $1.016\pm 0.034$ | $0.578\,$$\pm$ | $\,0.035\,$$\pm$ | $\,0.026$ | $-$ $\psi(2S)K^{+}$ | $107\,$$\pm$ | $\,16$$\pm$ | $\,13$ | $0.921\pm 0.044$ | $0.080\,$$\pm$ | $\,0.012\,$$\pm$ | $\,0.009$ | $-$ $\eta_{c}(2S)K^{+}$ | $39\,$$\pm$ | $\,15\,$$\pm$ | $\,5$ | $0.927\pm 0.041$ | $0.029\,$$\pm$ | $\,0.011\,$$\pm$ | $\,0.004$ | $<0.048$ $\chi_{c0}(1P)K^{+}$ | $15\,$$\pm$ | $\,13\,$$\pm$ | $\,4$ | $0.957\pm 0.024$ | $0.011\,$$\pm$ | $\,0.009\,$$\pm$ | $\,0.003$ | $<0.028$ $h_{c}(1P)K^{+}$ | $21\,$$\pm$ | $\,11\,$$\pm$ | $\,5$ | $0.943\pm 0.032$ | $0.015\,$$\pm$ | $\,0.008\,$$\pm$ | $\,0.004$ | $<0.029$ $X(3872)K^{+}$ | $-9\,$$\pm$ | $\,8\,$$\pm$ | $\,2$ | $0.896\pm 0.058$ | $-0.007\,$$\pm$ | $\,0.006\,$$\pm$ | $\,0.002$ | $<0.008$ $X(3915)K^{+}$ | $13\,$$\pm$ | $\,17\,$$\pm$ | $\,5$ | $0.890\pm 0.062$ | $0.010\,$$\pm$ | $\,0.013\,$$\pm$ | $\,0.002$ | $<0.032$ Table 4: Branching fractions for $B^{+}\rightarrow({\rm mode})\rightarrow p\bar{p}K^{+}$ derived using the world average value of the ${\cal B}(B^{+}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+})$ and ${\cal B}({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rightarrow p\bar{p})$ branching fractions [16]. For the charmonium modes we compare our values to the product of the indipendently measured branching fractions. The first uncertainties are statistical, the second systematic in the present measurement, and the third systematic from the uncertainty on the $J/\psi$ branching fraction. $B^{+}$ | ${\cal B}(B^{+}\rightarrow({\rm mode})\rightarrow p\bar{p}K^{+})$ | UL $(95\%$ CL) | Previous measurements ---|---|---|--- decay mode | ($\times 10^{6}$) | ($\times 10^{6}$) | ($\times 10^{6}$) [4, 5] total | $10.81\,$$\pm$ | $\,0.42\,$$\pm$ | $\,0.30\,$$\pm$ | $\,0.49$ | | $10.76^{+0.36}_{-0.33}\pm 0.70$ ${M_{p\bar{p}}<2.85\,{\rm{GeV/}}c^{2}}$ | $4.46\,$$\pm$ | $\,0.21\,$$\pm$ | $\,0.18\,$$\pm$ | $\,0.20$ | | $5.12\pm 0.31$ $\eta_{c}(1S)K^{+}$ | $1.27\,$$\pm$ | $\,0.08\,$$\pm$ | $\,0.05\,$$\pm$ | $\,0.06\,$ | | $1.54\pm 0.16$ $\psi(2S)K^{+}$ | $0.175\,$$\pm$ | $\,0.027\,$$\pm$ | $\,0.020\,$$\pm$ | $\,0.008$ | | $0.176\pm 0.012$ $\eta_{c}(2S)K^{+}$ | $0.063\,$$\pm$ | $\,0.025\,$$\pm$ | $\,0.009\,$$\pm$ | $\,0.003$ | $<0.106$ | $\chi_{c0}(1P)K^{+}$ | $0.024\,$$\pm$ | $\,0.021\,$$\pm$ | $\,0.006\,$$\pm$ | $\,0.001$ | $<0.062$ | $0.030\pm 0.004$ $h_{c}(1P)K^{+}$ | $0.034\,$$\pm$ | $\,0.018\,$$\pm$ | $\,0.008\,$$\pm$ | $\,0.002$ | $<0.064$ | $X(3872)K^{+}$ | $-0.015\,$$\pm$ | $\,0.013\,$$\pm$ | $\,0.003\,$$\pm$ | $\,0.001$ | $<0.017$ | $X(3915)K^{+}$ | $0.022\,$$\pm$ | $\,0.029\,$$\pm$ | $\,0.004\,$$\pm$ | $\,0.001$ | $<0.071$ | The branching fractions obtained are compatible with the world average values [16]. The upper limit on ${\mathcal{B}}(B^{+}\rightarrow\chi_{c0}(1P)K^{+}\rightarrow p\bar{p}K^{+})$ is compatible with the world average ${\mathcal{B}}(B^{+}\rightarrow\chi_{c0}(1P)K^{+})\times{\mathcal{B}}(\chi_{c0}(1P)\rightarrow p\bar{p})=(0.030\pm 0.004)\times 10^{-6}$ [16]. We combine our upper limit for $X(3872)$ with the known value for ${\mathcal{B}}(B^{+}\rightarrow X(3872)K^{+})\times{\mathcal{B}}(X(3872)\rightarrow J/\psi\pi^{+}\pi^{-})=(8.6\pm 0.8)\times 10^{-6}$ [16] to obtain the limit $\frac{{\mathcal{B}}(X(3872)\rightarrow p\bar{p})}{{\mathcal{B}}(X(3872)\rightarrow J/\psi\pi^{+}\pi^{-})}<2.0\times 10^{-3}.$ This limit challenges some of the predictions for the molecular interpretations of the $X(3872)$ state and is approaching the range of predictions for a conventional $\chi_{c1}(2P)$ state [17, 18]. Using our result and the $\eta_{c}(2S)$ branching fraction ${\mathcal{B}}(B^{+}\rightarrow\eta_{c}(2S)K^{+})\times{\mathcal{B}}(\eta_{c}(2S)\rightarrow K\bar{K}\pi)=(3.4\,^{+2.3}_{-1.6})\times 10^{-6}$ [16], a limit of $\frac{{\mathcal{B}}(\eta_{c}(2S)\rightarrow p\bar{p})}{{\mathcal{B}}(\eta_{c}(2S)\rightarrow K\bar{K}\pi)}<3.1\times 10^{-2}$ is obtained. ## 8 Summary Based on a sample of $6951\pm 176$ $B^{+}\rightarrow p\bar{p}K^{+}$ decays reconstructed in a data sample, corresponding to an integrated luminosity of $1.0\,{\rm{fb^{-1}}}$, collected with the LHCb detector, the following relative branching fractions are measured $\displaystyle\frac{{\mathcal{B}}(B^{+}\rightarrow p\bar{p}K^{+})_{\rm total}}{{\mathcal{B}}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}=$ $\displaystyle\,4.91\pm 0.19\,{(\rm stat)}\pm 0.14\,{(\rm syst)},$ $\displaystyle\frac{{\mathcal{B}}(B^{+}\rightarrow p\bar{p}K^{+})_{M_{p\bar{p}}<2.85\,{\rm{GeV/}}c^{2}}}{{\mathcal{B}}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}=$ $\displaystyle\,2.02\pm 0.10\,{(\rm stat)}\pm 0.08\,{(\rm syst)},$ $\displaystyle\frac{{\mathcal{B}}(B^{+}\rightarrow\eta_{c}(1S)K^{+}\rightarrow p\bar{p}K^{+})}{{\mathcal{B}}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}=$ $\displaystyle\,0.578\pm 0.035\,{(\rm stat)}\pm 0.025\,{(\rm syst)},$ $\displaystyle\frac{{\mathcal{B}}(B^{+}\rightarrow\psi(2S)K^{+}\rightarrow p\bar{p}K^{+})}{{\mathcal{B}}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}=$ $\displaystyle\,0.080\pm 0.012\,{(\rm stat)}\pm 0.009\,{(\rm syst)}.$ An upper limit on the ratio $\frac{{\mathcal{B}}(B^{+}\rightarrow X(3872)K^{+}\rightarrow p\bar{p}K^{+})}{{\mathcal{B}}(B^{+}\rightarrow J/\psi K^{+}\rightarrow p\bar{p}K^{+})}<0.017$ is obtained, from which a limit of $\frac{{\mathcal{B}}(X(3872)\rightarrow p\bar{p})}{{\mathcal{B}}(X(3872)\rightarrow J/\psi\pi^{+}\pi^{-})}<2.0\times 10^{-3}$ is derived. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are thankful for the computing resources put at our disposal by Yandex LLC (Russia), as well as to the communities behind the multiple open source software packages that we depend on. ## References * [1] N. 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arxiv-papers
2013-03-28T14:24:56
2024-09-04T02:49:43.576279
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, A. Adametz, B. Adeva,\n M. Adinolfi, C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio,\n M. Alexander, S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S.\n Amato, Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O.\n Aquines Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G.\n Auriemma, S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J.\n Barlow, C. Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, M. Benayoun, G.\n Bencivenni, S. Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M.\n van Beuzekom, A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T.\n Blake, F. Blanc, C. Blanks, J. Blouw, S. Blusk, A. Bobrov, V. Bocci, A.\n Bondar, N. Bondar, W. Bonivento, S. Borghi, A. Borgia, T.J.V. Bowcock, E.\n Bowen, C. Bozzi, T. Brambach, J. van den Brand, J. Bressieux, D. Brett, M.\n Britsch, T. Britton, N.H. Brook, H. Brown, I. Burducea, A. Bursche, J.\n Buytaert, S. Cadeddu, O. Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P.\n Campana, A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H. Carranza-Mejia,\n L. Carson, K. Carvalho Akiba, G. Casse, M. Cattaneo, Ch. Cauet, M. Charles,\n Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K. Ciba, X. Cid Vidal,\n G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J. Closier, C. Coca, V.\n Coco, J. Cogan, E. Cogneras, P. Collins, A. Comerma-Montells, A. Contu, A.\n Cook, M. Coombes, S. Coquereau, G. Corti, B. Couturier, G.A. Cowan, D. Craik,\n S. Cunliffe, R. Currie, C. D'Ambrosio, P. David, P.N.Y. David, I. De Bonis,\n K. De Bruyn, S. De Capua, M. De Cian, J.M. De Miranda, L. De Paula, W. De\n Silva, P. De Simone, D. Decamp, M. Deckenhoff, H. Degaudenzi, L. Del Buono,\n C. Deplano, D. Derkach, O. Deschamps, F. Dettori, A. Di Canto, J. Dickens, H.\n Dijkstra, M. Dogaru, F. Domingo Bonal, S. Donleavy, F. Dordei, A. Dosil\n Su\\'arez, D. Dossett, A. Dovbnya, F. Dupertuis, R. Dzhelyadin, A. Dziurda, A.\n Dzyuba, S. Easo, U. Egede, V. Egorychev, S. Eidelman, D. van Eijk, S.\n Eisenhardt, U. Eitschberger, R. Ekelhof, L. Eklund, I. El Rifai, Ch.\n Elsasser, D. Elsby, A. Falabella, C. F\\\"arber, G. Fardell, C. Farinelli, S.\n Farry, V. Fave, D. Ferguson, V. Fernandez Albor, F. Ferreira Rodrigues, M.\n Ferro-Luzzi, S. Filippov, C. Fitzpatrick, M. Fontana, F. Fontanelli, R.\n Forty, O. Francisco, M. Frank, C. Frei, M. Frosini, S. Furcas, E. Furfaro, A.\n Gallas Torreira, D. Galli, M. Gandelman, P. Gandini, Y. Gao, J. Garofoli, P.\n Garosi, J. Garra Tico, L. Garrido, C. Gaspar, R. Gauld, E. Gersabeck, M.\n Gersabeck, T. Gershon, Ph. Ghez, V. Gibson, V.V. Gligorov, C. G\\\"obel, D.\n Golubkov, A. Golutvin, A. Gomes, H. Gordon, M. Grabalosa G\\'andara, R.\n Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G. Graziani, A. Grecu, E.\n Greening, S. Gregson, O. Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C.\n Hadjivasiliou, G. Haefeli, C. Haen, S.C. Haines, S. Hall, T. Hampson, S.\n Hansmann-Menzemer, N. Harnew, S.T. Harnew, J. Harrison, P.F. Harrison, T.\n Hartmann, J. He, V. Heijne, K. Hennessy, P. Henrard, J.A. Hernando Morata, E.\n van Herwijnen, E. Hicks, D. Hill, M. Hoballah, C. Hombach, P. Hopchev, W.\n Hulsbergen, P. Hunt, T. Huse, N. Hussain, D. Hutchcroft, D. Hynds, V.\n Iakovenko, P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, F. Jansen, P. Jaton,\n F. Jing, M. John, D. Johnson, C.R. Jones, B. Jost, M. Kaballo, S. Kandybei,\n M. Karacson, T.M. Karbach, I.R. Kenyon, U. Kerzel, T. Ketel, A. Keune, B.\n Khanji, O. Kochebina, I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A.\n Kozlinskiy, L. Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F.\n Kruse, M. Kucharczyk, V. Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D.\n Lacarrere, G. Lafferty, A. Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G.\n Lanfranchi, C. Langenbruch, T. Latham, C. Lazzeroni, R. Le Gac, J. van\n Leerdam, J.-P. Lees, R. Lef\\`evre, A. Leflat, J. Lefran\\c{c}ois, O. Leroy, Y.\n Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G. Liu, J. von Loeben,\n J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H. Lu, J. Luisier, H. Luo, F.\n Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S. Malde, G. Manca, G.\n Mancinelli, N. Mangiafave, U. Marconi, R. M\\\"arki, J. Marks, G. Martellotti,\n A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M. Martinelli, D. Martinez\n Santos, D. Martins Tostes, A. Massafferri, R. Matev, Z. Mathe, C. Matteuzzi,\n M. Matveev, E. Maurice, A. Mazurov, J. McCarthy, R. McNulty, B. Meadows, F.\n Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J. Molina Rodriguez,\n S. Monteil, D. Moran, P. Morawski, R. Mountain, I. Mous, F. Muheim, K.\n M\\\"uller, R. Muresan, B. Muryn, B. Muster, P. Naik, T. Nakada, R. Nandakumar,\n I. Nasteva, M. Needham, N. Neufeld, A.D. Nguyen, T.D. Nguyen, C. Nguyen-Mau,\n M. Nicol, V. Niess, R. Niet, N. Nikitin, T. Nikodem, S. Nisar, A. Nomerotski,\n A. Novoselov, A. Oblakowska-Mucha, V. Obraztsov, S. Oggero, S. Ogilvy, O.\n Okhrimenko, R. Oldeman, M. Orlandea, J.M. Otalora Goicochea, P. Owen, B.K.\n Pal, A. Palano, M. Palutan, J. Panman, A. Papanestis, M. Pappagallo, C.\n Parkes, C.J. Parkinson, G. Passaleva, G.D. Patel, M. Patel, G.N. Patrick, C.\n Patrignani, C. Pavel-Nicorescu, A. Pazos Alvarez, A. Pellegrino, G. Penso, M.\n Pepe Altarelli, S. Perazzini, D.L. Perego, E. Perez Trigo, A. P\\'erez-Calero\n Yzquierdo, P. Perret, M. Perrin-Terrin, G. Pessina, K. Petridis, A.\n Petrolini, A. Phan, E. Picatoste Olloqui, B. Pietrzyk, T. Pila\\v{r}, D.\n Pinci, S. Playfer, M. Plo Casasus, F. Polci, G. Polok, A. Poluektov, E.\n Polycarpo, D. Popov, B. Popovici, C. Potterat, A. Powell, J. Prisciandaro, V.\n Pugatch, A. Puig Navarro, W. Qian, J.H. Rademacker, B. Rakotomiaramanana,\n M.S. Rangel, I. Raniuk, N. Rauschmayr, G. Raven, S. Redford, M.M. Reid, A.C.\n dos Reis, S. Ricciardi, A. Richards, K. Rinnert, V. Rives Molina, D.A. Roa\n Romero, P. Robbe, E. Rodrigues, P. Rodriguez Perez, G.J. Rogers, S. Roiser,\n V. Romanovsky, A. Romero Vidal, J. Rouvinet, T. Ruf, H. Ruiz, G. Sabatino,\n J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, C. Salzmann, B.\n Sanmartin Sedes, M. Sannino, R. Santacesaria, C. Santamarina Rios, E.\n Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie, D.\n Savrina, P. Schaack, M. Schiller, H. Schindler, S. Schleich, M. Schlupp, M.\n Schmelling, B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune, R.\n Schwemmer, B. Sciascia, A. Sciubba, M. Seco, A. Semennikov, K. Senderowska,\n I. Sepp, N. Serra, J. Serrano, P. Seyfert, M. Shapkin, I. Shapoval, P.\n Shatalov, Y. Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V.\n Shevchenko, A. Shires, R. Silva Coutinho, T. Skwarnicki, N.A. Smith, E.\n Smith, M. Smith, K. Sobczak, M.D. Sokoloff, F.J.P. Soler, F. Soomro, D.\n Souza, B. Souza De Paula, B. Spaan, A. Sparkes, P. Spradlin, F. Stagni, S.\n Stahl, O. Steinkamp, S. Stoica, S. Stone, B. Storaci, M. Straticiuc, U.\n Straumann, V.K. Subbiah, S. Swientek, V. Syropoulos, M. Szczekowski, P.\n Szczypka, T. Szumlak, S. T'Jampens, M. Teklishyn, E. Teodorescu, F. Teubert,\n C. Thomas, E. Thomas, J. van Tilburg, V. Tisserand, M. Tobin, S. Tolk, D.\n Tonelli, S. Topp-Joergensen, N. Torr, E. Tournefier, S. Tourneur, M.T. Tran,\n M. Tresch, A. Tsaregorodtsev, P. Tsopelas, N. Tuning, M. Ubeda Garcia, A.\n Ukleja, D. Urner, U. Uwer, V. Vagnoni, G. Valenti, R. Vazquez Gomez, P.\n Vazquez Regueiro, S. Vecchi, J.J. Velthuis, M. Veltri, G. Veneziano, M.\n Vesterinen, B. Viaud, D. Vieira, X. Vilasis-Cardona, A. Vollhardt, D.\n Volyanskyy, D. Voong, A. Vorobyev, V. Vorobyev, C. Vo\\ss, H. Voss, R. Waldi,\n R. Wallace, S. Wandernoth, J. Wang, D.R. Ward, N.K. Watson, A.D. Webber, D.\n Websdale, M. Whitehead, J. Wicht, J. Wiechczynski, D. Wiedner, L. Wiggers, G.\n Wilkinson, M.P. Williams, M. Williams, F.F. Wilson, J. Wishahi, M. Witek,\n S.A. Wotton, S. Wright, S. Wu, K. Wyllie, Y. Xie, F. Xing, Z. Xing, Z. Yang,\n R. Young, X. Yuan, O. Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L.\n Zhang, W.C. Zhang, Y. Zhang, A. Zhelezov, L. Zhong, A. Zvyagin", "submitter": "Roberta Cardinale", "url": "https://arxiv.org/abs/1303.7133" }
1303.7453
# Atomically Sharp 318nm Gd:AlGaN Ultraviolet Light Emitting Diodes on Si with Low Threshold Voltage Thomas F. Kent Department of Materials Science and Engineering, The Ohio State University, Columbus, Ohio 43210, USA Santino D. Carnevale Department of Materials Science and Engineering, The Ohio State University, Columbus, Ohio 43210, USA Roberto C. Myers Department of Materials Science and Engineering, The Ohio State University, Columbus, Ohio 43210, USA Deparment of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210, USA ###### Abstract Self-assembled AlxGa1-xN polarization-induced nanowire light emitting diodes (PINLEDs) with Gd-doped AlN active regions are prepared by plasma-assisted molecular beam epitaxy on Si substrates. Atomically sharp electroluminescence (EL) from Gd intra-f-shell electronic transitions at 313nm and 318nm is observed under forward biases above 5V. The intensity of the Gd 4f EL scales linearly with current density and increases at lower temperature. The low field excitation of Gd 4f EL in PINLEDs is contrasted with high field excitation in metal/Gd:AlN/polarization-induced n-AlGaN devices; PINLED devices offer over a three fold enhancement in 4f EL intensity at a given device bias. Keywords: AlGaN, Nanowires, Rare Earth, Electroluminescent Devices In this letter we report on ultraviolet light emitting diodes based on self- assembled AlGaN nanowire heterojunctions doped with Gd, which emit ultraviolet (UV) radiation at 318nm and operate at lower device bias compared with existing Gd electroluminescent technology. Following the realization of the ruby laser over half a century agomaiman , many materials have been developed as hosts for elements with optically-active energetic transitions to produce lasers and electroluminescent devices with emission in the visible and infrared part of the electromagnetic spectrum. In the last twenty years, electrically driven devices utilizing rare earth phosphors in wide or medium gap semiconductors have begun to make an appearancerack . These thin film electroluminescent devices (TFED) have found applications as visible and IR emitters, and with the increasing use of wide gap materials, such as GaN and AlN are currently being developed to take of advantage of phosphors in the blue and UV. Figure 1: Optically active Gd3+ 4f levels in the active region of a III-N nanowire polarization induced light emitting diode. a. Calculated device band diagram showing location of optically active Gd ions. Insert shows device schematic as measured. b. Device IV exhibiting turn on in forward bias at 5V Figure 2: Optically active Gd ions in the depletion region of a polarization- induced light emitting diode (PINLED). a. Room temperature device EL spectra for multiple currents. b. Detail of spectral region of interest for the Gd 4f shell EL peaks, showing first excited and second excited state transitions. Insert shows behavior of peak intensity with increasing current density. c. Detail of spectra region of interest for the Gd 4f EL at multiple temperatures. Insert shows variation of peak intensity with temperature. Design of optoelectronic devices which utilize atomic transitions in the rare earths for EL can offer a number of advantages over EL produced from band-to- band recombination. First, the transition energy is dictated by the energy level scheme of the 4f orbital, which is relatively unperturbed by the crystalline environment due to the fact that the 5d and 5s,5p orbitals extend to further radial distances, and fill before the f shell of lower principal quantum numberatkins . This shielding by the earlier filled 5d and 5s orbitals causes the energies of the 4f transitions to be relatively insensitive to crystalline imperfections, unlike transitions based on band-to-band transitions in semiconductors. Band-to-band optical transitions are well knowndavies02 to be sensitive to deep levels, exciton-phonon interaction, and crystalline disorder which can lead to broadening of emission or parasitic emission at an unintended energy. Additionally, due to the decoupling of the 4f orbital with the lattice, emission from rare earth centers is spectrally pure with common FWHM of less than 30meV. In recent years, the family of III-nitrides, particularly the pseudobinary AlxGa1-xN, has become attractive as a potential host for rare earth elemental phosphorswakahara . This material system offers a high breakdown field (12MV/cm for AlN) and sufficiently wide bandgaps (3.4 to 6.1eV) to accommodate phosphors with emission from the UV to IR. Equally significant is the way in which rare earths incorporate in the wurtzite structure of GaN and AlN alloys. Rare earth (RE) ions commonly exhibit the RE3+ ionization state, which makes them isovalent with the Al3+ and Ga3+ cations of AlxGa1-xN. RE atoms exhibit high solubility (in excess of 1at% has been reportedwang ) and regularly incorporate at the cation site. Due to the wide range of energy level schemes of the lanthanides, EL from RE centers in AlN and GaN have been reported for Er3+ (IR, green)Lee , Tm3+(blue)Lee , Eu3+(Red)wakahara , and Gd3+(UV)kita . Additonally, room temperature optically pumped lasing in Eu-doped GaNpark has been successfully demonstrated. Although most RE phosphors have been developed for optical transitions in the visible and infrared parts of the electromagnetic spectrum, the energy scheme of Gd3+ in wurtzite AlN offers an energy difference between ground and first excited state of 3.90eV (318nm). The spectrally-narrow and energetically- stable nature of the Gd3+ fluorescence emission make it a potential candidate for spectroscopic and lithographic applications in the UV. This led to exploration of dilutely Gd doped AlxGa1-xN in the form of fluorescencezavada and cathodoluminescence experimentsvetter ; gruber ; kita .Although the 4f levels in the RE3+ are typically thought not to interact with the surrounding lattice, cathodoluminescence data for Gd:AlN thin films show phonon replica satellite peaks of the Gd3+ 6P7/2$\rightarrow$8S7/2 (318nm) transitionsvetter . These data suggest that the 4f electrons in Gd3+ in AlN are not completely decoupled from the host lattice. Although there have been a number of reportskita ; zavada ; vetter ; gruber on the spectroscopy of Gd:AlGaN compounds, less work has focused on development of active optoelectronic devices that utilize Gd3+ 4f transitions. This is likely due to the difficulty of achieving electrical contact to uid- AlN. Reportskita ; kitayama have been made of a “field emission device” consisting of a reactive ion sputtered AlxGd1-xN film with metal contacts, forming a MIS structure whereby a high voltage 270V to $>$1kV driven across the device produces fluorescence of the Gd3+ ions, likely by the process of impact excitation. Figure 3: Optically active Gd ions in a purely unipolar metal-insulator- semiconductor heterostructure a. Device heterostructure and calculated band diagram. Insert shows device schematic. b. Device IV curve exhibiting rectification and a turn on voltage above 10V. c. EL spectra showing weak EL of the Gd 4f 6P7/2$\rightarrow$8S7/2 transition. Insert shows detail of the 4f EL peak with an overlay of the more intense spectrum from the PINLED device under comparable conditions. The dominant mechanism of RE3+ 4f excitation in solids depends on the electric field regime where the device functions. MIS devices function largely in the high field regime, causing the dominant mechanism to be direct transfer of kinetic energy from hot electrons to the RE3+ center by collision, known as impact excitation. At lower fields, the excitation mechanism becomes more complex, involving typically a multi-step, defect assisted Auger process, or exciton localization by the RE3+ center.godlewski ; bodiou In this work, we study two seperate heterostructures which are designed to generate EL under low electric field conditions (pn-diode) and high electric field conditions (Gd:AlGaN MIS structure). In the PINLED, the initially large built in electric field in the depletion region is reduced with forward bias of the device. In contrast, the MIS structure has initially flat bands and thus no electric field in the active region and when biased, the electric field is increased in the Gd doped region. Self-assembled III-nitride nanowire heterostructures grown by plasma assisted molecular beam epitaxy have recently gained popularity for applications requiring high crystalline quality and largely mismatched, complex heterostructures that would otherwise be difficult to form in thin films due to strain considerationscarnevale1 ; carnevale2 ; carnevale3 . In addition, they have been shown to function at high current densitiescarnevale3 . Additionally, UV-LEDs based on III-nitride nanowire heterostructures have been demonstrated to accommodate active regions spanning from high %Al AlGaN to GaNcarnevale3 . Polarization-induced nanowire diodes (PINLEDs)carnevale2 containing Gd doping in their active region are prepared by plasma-assisted molecular beam epitaxy on n-Si(111) in the III-limited growth regime, the details of which are discussed elsewherecarnevale2 . These devices consist of a GaN nucleation layer followed by a linear grade in composition from GaN to AlN over 100nm. This is followed by an active region consisting of 2.4ML of GdN deposited between two 5nm uid-AlN spacers. The structure is then linearly graded in composition from AlN back to GaN. This structure forms a pn-diode as shown in Fig. 1a, the band diagram of which is calculated with a self consistent Schrödinger-Poisson solverbandeng , as described in refcarnevale2 . The spontaneous polarization present in wurtzite AlxGa1-xN combined with a gradient in composition give rise to polarization-induced hole and electron doping, respectivelysimon . In addition to the built in polarization doping, wires are supplementary doped with Mg and Si in p and n regions, assuming c-axis,Ga-polar orientation of the nanowires. From these heterostructures, electrical devices are fashioned by depositing semitransparent 10nm/20nm Ni/Au contacts with an electron beam evaporator for the top contact, which connect the vertical ensemble in parallel. The back contact is fashioned by mechanically removing the nanowires adjacent to the top contact with a diamond scribe and thermally diffusing In metal directly to the n-Si with a soldering ion. Current-Voltage (IV) behavior of the devices are measured with a probe station and an Agilent B1500 semiconductor parameter analyzer. Device IV’s show rectifying behavior with device turn on at 5V, as shown in Fig. 1b. After the IV behavior of the devices is characterized, they are transferred to a variable temperature UV-VIS-NIR spectroscopy system consisting of a closed cycle ARS DMX20-OM cryostat and a Princeton instruments SP2500i 0.5m spectrometer equipped with a Princeton instruments PIXIS100 UV-VIS-NIR CCD. Devices are connected to a Yokogawa DC constant current source and Keithley 2700 data acquisition system. Prior to the collection of any spectra, a background spectrum is collected with no current injection in the device. Constant currents from 10mA to 120mA, corresponding to device current densities from 1.32A/cm2 to 14.5A/cm2 (the current density through any given nanowire is unknown since not all individual nanowires give ELlimbach ) are sourced at room temperature and the resulting EL is collected through a 50mm, f/2 uv-fused silica singlet lens, collimated and subsequently focused onto the entrance slit of the 0.5m spectrometer. Room temperature EL spectra, shown for multiple current densities in Fig. 2a., exhibit multiple emission peaks from the UV through the visible parts of the spectrum. The sharp peak at 318nm (Fig. 2b.), corresponds to the 6P7/2$\rightarrow$8S7/2 first excited state to ground state transition of the Gd3+ iongruber . More careful inspection of spectra around the Gd atomic line region reveals an additional peak at the correct energy for the 6P5/2$\rightarrow$8S7/2 second excited state to ground state transitiongruber . In addition, the intensity of these peaks scale linearly with current density, within the range of currents investigated. The Gd emission exhibits FWHM of 23.1meV. Additional broad EL peaks in the 400nm-700nm range are attributed to below band gap defects in AlGaN, due to observation of identical emission spectra in non-Gd containing devices, though the graded nature of structure prevents precise identification of the deep levels responsible. In order to further investigate the mechanism by which the UV emission occurs, variable temperature EL measurements are conducted from room temperature to 30K, the results of which are shown in Fig. 2c. Spectral intensity of the main 6P7/2$\rightarrow$8S7/2 Gd 4f peak is observed to be invariant at temperatures above 75K, below which the intensity increases dramatically (Fig. 2c., insert). Similar behavior has been previously observed in Eu-doped GaNnyein as well as Er-doped InGaPneuhalfen which is attributed to thermal quenching of the multi-step excitation mechanism of the RE3+ ion. At low temperature another peak becomes distinct at 324nm. This peak has been previously identified as a phonon replica of the primary 318nm peak in cathodoluminescence experimentsvetter . From analysis of the peak positions, a phonon mode energy of 72.2meV is measured, which is smaller than the LO phonon energy of the surrounding AlN matrix (110meVbergman ) as well as GaN (92meVcingolani ). This phonon energy agrees within the resolution of the spectrometer used with results from cathodoluminescence experiments, which report 72.9meVvetter . Many RE electroluminescent devices rely on the impact excitation mechanism to drive intra-f-shell EL. In the interest of investigating EL under these conditions in nanowire based devices, a structure consisting of an n-type nanowire graded from GaN to AlN, with a 200nm uid-AlN layer doped with Gd ions (1E18cm-3) and capped with a small amount of n++ AlN for a top contact is prepared. Growth conditions for the heterostructure are identical to the n-region and depletion region of the PINLED, thus similar defect content are expected in both structures. An identical device contact scheme to that of the heterojunction diode is used and is shown in Fig. 3a. This device is again rectifying, as shown in Fig. 3b., but is less conductive than the PINLED device, producing 5.9A/cm2 compared to 11.2A/cm2 when forward biased to 15V. At 15V it is calculated that the active region of the MIS device develops an electric field in excess of 0.75MV/cm, where as the PINLED should have approximately flat band conditions in the active region, due to reduction of band bending in forward bias. The lower conductivity of the MIS devices can be attributed to the uid-AlN center region as well as a large Schottky barrier between the n++AlN and the Ti/Au top contact which produce additional series resistance in the device over the PINLED. Electroluminescence spectroscopy (Fig. 3c.) reveals a weak, but detectable peak at 318nm among a large background of defect luminescence, indicating that some Gd ions are being excited by hot electrons passing through the structure as well as impact excitation of band to defect luminescence. Comparison of emission from PINLED devices and Gd:AlGaN MIS structures (Fig. 3c., insert) shows a 372% enhancement of intensity of the 6P7/2$\rightarrow$8S7/2 transition in the PINLED devices over the Gd:AlGaN MIS devices at 15V bias. Additionally, no peak corresponding to the 6P5/2$\rightarrow$8S7/2 higher order transition is present in the emission spectra from the Gd:AlGaN MIS structure. It is noted that due to the variety of possible mechanisms for RE 4f excitation in III-V materials, the difference in performance between the MIS device and the PINLED device could be affected by phenomena which are extrinsic to the E-field regime, such as preferential interaction of one carrier type with the RE ion. In conclusion, polarization induced light emitting diodes (PINLEDS) doped with Gd in an AlN active region are prepared by plasma assisted molecular beam epitaxy on n-Si substrates. These devices function at one to two orders of magnitude lower biases than previously reported Gd:AlN electroluminescent devices, making them attractive for low power, UV EL applications, particularly portable devices. When forward biased, devices emit sharp peaks at 318nm and 313nm, which correspond to the Gd intra-f-shell 6P7/2$\rightarrow$8S7/2 and 6P5/2$\rightarrow$8S7/2 transitions, respectively and scale linearly with current density. Emission intensity is shown to be temperature independent above 75K, below which it increases strongly. By studying two different devices, designed to produced Gd 4f EL under both low and high electric field conditions, we observe a significant improvement in emission intensity for PINLED devices which function under low-field operation conditions over hot electron MIS devices. Although this device has been applied to Gd, it would be possible in principle to dope with any of the 4f phosphor rare earths to achieve spectrally stable electrically driven emission at a variety of wavelengths. This work is supported by the Center of Emergent Materials at OSU under NSF DMR-0820414 and National Science Foundation CAREER award (DMR-1055164). S. D. Carnevale acknowledges support from the National Science Foundation Graduate Research Fellowship Program (2011101708). ## References * (1) Maimn, T. H. “Stimulated Optical Radiation in Ruby” Nature, 187 4736, pp. 493-494 (1960) * (2) P. D. Rack, P. H. Holloway “The structure, device physics and material properties of thin film electroluminescent displays” Mat. Sci. and Eng., R21(19988)171-219(1998) * (3) P. W. Atkins Molecular Quantum Mechanics 2nd Ed. Oxford, New York. 1992 pg. 223 * (4) J. H. Davies The Physics of Low-dimensional Semiconductors: An Introduction Cambridge University Press (1997) * (5) A. Wakahara, H. Sekiguchi, H. Okada, Y. Takagi “Current status for light-emitting diode with Eu-doped GaN active layer grown by MBE” J. Lumin. (2012) * (6) R. Wang and A. J. Steckl “Effect of growth conditions on Eu${}^{3}+$ luminescence in GaN” J. Crys. Grow. 312 (2010) 680-684 * (7) D. S. Lee and A. J. Steckl “Enhanced blue and green emission in rare-earth-doped GaN electroluminescent devices by optical photopumping” Appl. Phys. Lett. 81, 2331(2002); * (8) T. Kita, et. al. “Narrow-band deep-ultraviolet light emitting device using Al1-xGdxN” Appl. Phys. Lett. 93, 211901 (2008) * (9) J. H. Park. and A. J. Steckl “Laser action in Eu-doped GaN thin-film cavity at room temperature” Appl. Phys. Lett. 85, 4588 (2004) * (10) J. M . Zavada et. al., “Ultraviolet photoluminescence from Gd-implanted AlN epilayers” Appl. Phys. Lett. 89, 152107 (2006) * (11) U. Vetter, J. Zenneck and Hofsass “Intense ultraviolet cathodoluminescence at 318nm from Gd3+-doped AlN” Appl. Phys. Lett. 83, 2145 (2003) * (12) J. B. Gruber, U. Vetter, H. Hofsass, B. Zandi and M. F. Reid “Spectra and energy levels of Gd3+ (4f7) in AlN” Phys. Rev. B 69, 195202 (2004) * (13) M.A. Scarpulla, C. S. Gallinat, S. Mack, J. S. Speck, A. C. Gossard, J. Crys. Grow. 311, 1239 (2009) * (14) S. Kitayama, et. al. “Influence of local atomic configuration in AlGdN phosphor thin films on deep ultra-violet luminescence intensity” J. Appl. Phys. 110, 093108 (2011) * (15) M. Godlewski, M. Leskel’́a, CRC Critical Reviews in Solid State and Materials Sciences 19 (1994) 199 “Excitation and recombination processes during elecroluminescence of rare earth-activated materials” * (16) L. Bodiou, A. Braud “Direc evidence of trap-mediated excitation in GaN:Er3+ with a two-color experiment” Appl. Phys. Lett 93, 151107 (2008) * (17) S. D. Carnevale , J. Yang , Patrick J. Phillips , M. J. Mills, and R. C. Myers “Three-Dimensional GaN/AlN Nanowire Heterostructures by Separating Nucleation and Growth Processes” Nano. Lett.,2011, 11(2), pp 866-867 * (18) S. D. Carnevale, T. F. Kent, P. J. Phillips, M. J. Mills, S. Rajan, and R. C. Myers “Polarization-Induced pn Diodes in Wide-Band-Gap Nanowires with Ultraviolet Electroluminescence” Nano. Lett.,2012, 12(2), pp 915-920 * (19) S. D. Carnevale, C. Marginean, P. J. Phillips, T. F. Kent, A. T. M. G. Sarwar, M. J. Mills, and R. C. Myers “Coaxial nanowire resonant tunneling diodes from non-polar AlN/GaN on silicon” Appl. Phys. Lett. 100, 142115 (2012) * (20) M. Grundman (2005) BandEng Available online: http://my.ece.ucsb.edu/mgrundmann/bandeng.htm * (21) J. Simon, V. Protasenko, C. Lian, H. Xing, D. Jena “Polarization-induced hole doping in wide-band-gap uniaxial semiconductor heterostructures” Science 2010, 327, 60-64 * (22) F. Limbach, C. Hauswalf, J. Lähnemann, M. Wölz, O. Brandt, A. Trampert, M Hanke,et. al., Nanotechnology 23 (2012) 465301 * (23) E. Nyein, U. Hömmerich, J. Heikenfeld, D. Lee, A. J. Steckl, et. al. Appl. Phys. Lett. 82, 1655 (2003) * (24) A. Neuhalfen, B. Wessels Appl. Phys. Lett. 60, 2657 (1992) * (25) L. Bergman, M. Dutta, C. Balkas, R. Davis, J. Christman, et. al. J. Appl. Phys. 85, 3535 (1999) * (26) 3A. Cingolani, M. Ferrara, M. Lugara, and G. Scamarcio, Solid State Commun. 58, 823 (1986)
arxiv-papers
2013-03-29T18:24:53
2024-09-04T02:49:43.594766
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Thomas F. Kent, Santino D. Carnevale, Roberto C. Myers", "submitter": "Roberto Myers", "url": "https://arxiv.org/abs/1303.7453" }
1303.7454
# Constructive Interference in Linear Precoding Systems: Power Allocation and User Selection Dimitrios Christopoulos1, Symeon Chatzinotas1, Ioannis Krikidis2 and Björn Ottersten1 1SnT - securityandtrust.lu, University of Luxembourg e-mail: {dimitrios.christopoulos, symeon.chatzinotas, bjorn.ottersten}@uni.lu 2Department of Electrical and Computer Engineering, University of Cyprus e-mail: [email protected] ###### Abstract The exploitation of interference in a constructive manner has recently been proposed for the downlink of multiuser, multi-antenna transmitters. This novel linear precoding technique, herein referred to as constructive interference zero forcing (CIZF) precoding, has exhibited substantial gains over conventional approaches; the concept is to cancel, on a symbol-by-symbol basis, only the interfering users that do not add to the intended signal power. In this paper, the power allocation problem towards maximizing the performance of a CIZF system with respect to some metric (throughput or fairness) is investigated. What is more, it is shown that the performance of the novel precoding scheme can be further boosted by choosing some of the constructive multiuser interference terms in the precoder design. Finally, motivated by the significant effect of user selection on conventional, zero forcing (ZF) precoding, the problem of user selection for the novel precoding method is tackled. A new iterative, low complexity algorithm for user selection in CIZF is developed. Simulation results are provided to display the gains of the algorithm compared to known user selection approaches. ## I Introduction The capacity of the multiple input multiple output (MIMO) broadcast channel (BC) can be reached by non-linear precoding methods, namely dirty paper coding (DPC)[1]. However, linear precoding methods, like zero forcing (ZF) precoding, can still attain the channel capacity in a multiuser environment [2, 3, 4], while proven more realistic in terms of practical implementation. Linear precoding techniques, especially ZF, have been extensively investigated in [5, 3] and the references therein. In these cases, ZF precoding constitutes a simple precoder design solution. By inverting the channel, multiuser interferences are cancelled and the precoding design problem is reduced to a power allocation problem over new equivalent channels; hence a simple concave optimization problem[6] needs to be solved. To maximize the throughput (sum- rate, SR), the well known water-filling solution can be straightforwardly applied [7]. To maximize the minimum offered rate (i.e. the fairness problem), the problem is still convex and thus solvable[5]. The key assumption of all the above considerations however is the assumption of Gaussian signaling. The concept of constructive interference linear precoding, initially proposed in [8] for code division multiple access (CDMA) systems and then extended to apply for MIMO communications in [9], is based on the multiuser interference cancellation concept of channel inversion. An example of the concept is described in Fig. 1. The novelty of this precoder design lies in considering practical constellations and allowing users that add up to the intended user’s signal power to interfere. This is referred to as constructive interference (CI) and it can be exploited by acknowledging each users’ channel and modulated signal. The problem of power allocation in constructive interference zero forcing (CIZF) precoding techniques has not been studied in existing literature. Existing works on this topic only assumed CIZF precoding with equal power allocation for all users[9]. Figure 1: The constructive interference (CI) concept over binary phase shift keying (BPSK) modulations: The $k$-th user’s transmit symbol is $s_{k}=+1$. The $i$-th user’s symbol, $s_{i}$, multiplied by the cross-correlation between the $k$-th and the $j$-th user’s channels, $\rho_{kj}$ (see Sec. II-B), is a vector that when added to $s_{k}$ will move the resulting vector further away from the decision threshold (0 for BPSK). Subsequently, not cancelling this user will benefit the $k$-th user. On the other hand, the $j$-th user is still interfering thus needs to be cancelled by the precoding design. Another very important aspect of linear precoding is the user selection problem investigated in [3, 6]. ZF performance is increased when user channels are orthogonal to each other. Under the assumption of large random user sets, the probability of orthogonal users increases and with that the complexity of the user selection problem. Nevertheless, simple suboptimal algorithms in the existing literature provide substantial gains with affordable complexity. Based on existing methods, Yoo et al [2] proposed a low complexity, iterative user selection algorithm that allows ZF to achieve the performance of non- linear precoding[10] as the number of available for selection users grows to infinity. The contribution of the present paper is twofold. Firstly, the effect of power allocation on CIZF precoding transmitters is investigated; a design parameter that has not been examined in existing literature. Secondly, motivated by the fact that user selection can optimize the ZF performance, the problem of user selection in CIZF systems is defined and solved by a low complexity algorithm. This algorithm achieves substantial gains and approaches the performance of the optimal user selection, as derived by full space search. The rest of the present paper is structured as follows. The considered system model is described with detail in Section II, where the concepts of conventional ZF and novel CIZF are also described. Section III explores the effects of power allocation in CI based linear precoding methods with the support of simulation results. In Section IV, the user selection problem is defined and solved via a novel heuristic algorithm. Conclusions are drawn in Section V. Notation: Throughout the paper, $\left(\cdot\right)^{\dagger}$, $\mathfrak{Re}(\cdot)$ and $||\cdot||,$ denote the conjugate transpose, the real part of complex elements and the Euclidean norm operations, respectively, while $[\cdot]_{ij}$ denotes the $i,j$-th element of a matrix. The element- wise matrix product is denoted by $\circ$. Bold face lower case characters denote column vectors and upper case denote matrices while the operator diag($\mathbf{x}$) produces a diagonal square matrix composed of the elements of $\mathbf{x}$. An identity matrix of size $n$ is denoted by $\mathbf{I}_{n}$. Upper case calligraphic characters denote sets. The operation $\mathcal{A-B}$ is the relative complement of $\mathcal{B}$ in $\mathcal{A}$, while $|\mathcal{A}|$, denotes the cardinality of a set. ## II System Model A multi-user (MU) multiple input single output (MISO) network consisting of one transmitter with $N_{t}$ antennas and $K\geq N_{t}$ single antenna receivers, is considered. At each time, the transmitter serves exactly $K=N_{t}$ users which are selected either randomly or based on a selection scheme as described in Sec. IV. The received signal at the $k$-th user can be expressed as $y_{k}=\mathbf{h}^{{\dagger}}_{k}\mathbf{x}+n_{k},$ (1) where $\mathbf{h}_{k}$ is an $N_{t}\times 1$ vector composed of the channel coefficients between the $k$-th user and the $N_{t}$ antennas of the source, $\mathbf{x}$ is an $N_{t}\times 1$ vector of transmitted symbols and $n_{k}$ is the independent identically distributed (i.i.d) zero mean Additive White Gaussian Noise (AWGN) measured at the $k$-th user’s receive antenna. The noise is assumed normalized, thus $\mathcal{E}\left\\{|n_{k}|^{2}\right\\}=1$. In matrix form, this MU MISO BC reads as $\displaystyle\mathbf{y}=\mathbf{H}\mathbf{x}+\mathbf{n},$ (2) where $\mathbf{y}=[y_{1},y_{2},\ldots,y_{N_{t}}]^{\dagger}$, $\mathbf{x}=[x_{1},x_{2},\ldots,x_{N_{t}}]^{\dagger}$, $\mathbf{H}$ is the $N_{t}\times N_{t}$ square matrix that contains the user complex vector channels, i.e. $\mathbf{H}=\left[\mathbf{h}_{1},\mathbf{h}_{2}\dots,\mathbf{h}_{N_{t}}\right]^{\dagger}$ and $\mathbf{n}=[n_{1},n_{2},\ldots,n_{N_{t}}]^{{\dagger}}$. The transmitter linearly precodes the information symbols: $\displaystyle\mathbf{x}=\mathbf{W}\mathbf{P}^{1/2}\mathbf{s},$ (3) where the $N_{t}\times N_{t}$ matrix $\mathbf{W}$ is the precoding matrix, $s_{k}$ denotes the symbol for the $k$-th destination and $\mathbf{s}=[s_{1},\ s_{2},\ldots,s_{K}]^{\dagger}$ with $\mathbb{E}[\mathbf{s}\mathbf{s}^{\dagger}]=\mathbf{I}$ and $\mathbf{P}^{1/2}=\operatorname{diag}([\sqrt{p_{1}},\sqrt{p_{2}}\ldots\sqrt{p_{k}}])$ is a diagonal $K\times K$ matrix composed of the transmit powers allocated to the $k$ users111The notion of transmit power allocated to a user is explained in [3].. For shortness and since the results can be straightforwardly generalized for higher order constellations, in this study only real valued signals will be assumed (binary phase shift keying-BPSK modulation), hence $\displaystyle{s_{i}}=\pm 1,\ i=1\ldots N_{t}.$ (4) ### II-A Zero Forcing beamforming Transmit beamforming is a multiuser precoding technique that separates user data streams in different parallel beamforming directions[3]. A linear precoding technique with reasonable computational complexity that still achieves full spatial multiplexing and multiuser diversity gains, is ZF precoding [11, 12, 3]. The ability of ZF to fully cancel out multiuser interference makes it useful in the high Signal to Noise Ratio ($\mathrm{SNR}$) regime. However, it performs far from the optimal in the noise limited regime. In addition, it can only simultaneously serve as many single antenna users as the number of transmit antennas. A common solution for the ZF precoding matrix is the pseudo-inverse of the $K\times N_{t}$ channel matrix. Under a total power constraint, the pseudo-inverse is the optimal solution (rather than any generalized inverse) in terms of maximum SR and maximum fairness [5]. The precoding matrix can be expressed as $\displaystyle\mathbf{W}=\mathbf{H}^{\dagger}\mathbf{R}^{-1}\mathbf{T},$ (5) where we define the matrix $\mathbf{R}$ as $\displaystyle\mathbf{R}=\mathbf{HH}^{\dagger}.$ (6) The matrix $\mathbf{T}$ has been introduced by [9] to model the CI scheme as explained in the next subsection. The general model described by (5), for $\displaystyle\mathbf{T}=\mathbf{I}\circ\mathbf{R,}$ (7) where the non zero elements of $\mathbf{T}$ are $\tau_{kk}=\sum\mathbf{h}_{k}^{\dagger}\mathbf{h}_{k}$, will yield the conventional ZF design. The complete cancellation of interferences in this case, will reduce the $k$-th users received signal to $\displaystyle y_{k}=\mathbf{h}^{{\dagger}}_{k}\sqrt{p_{k}}\mathbf{w}_{k}s_{k}+n_{k},$ (8) where $\mathbf{w}_{k}$ is the $k$-th column of the total precoding matrix. Assuming uniform power allocation across users, as in [9], the total power constraint over the transmit antennas $P_{tot}$ will yield[5]: $\displaystyle\mathcal{E}\\{||\mathbf{x}||^{2}\\}=\operatorname{Tr}\\{\mathbf{xx}^{\dagger}\\}\leq P_{tot}.$ (9) From (3) and (9), the transmit power allocated to the $k$-th user becomes $\displaystyle\sqrt{p}_{k}=\sqrt{\frac{P_{tot}}{\operatorname{Tr}\\{\mathbf{T}^{\dagger}\mathbf{R}^{-1}\mathbf{T}\\}}},\ \forall\ k.$ (10) By examining (10), it is clear that the transmit power allocated to the $k$-th user is a function of the precoder design. In precoding, channel inversion i.e. projecting the actual channels on orthogonal dimensions, leads to the reduction of each users effective channel. Subsequently, since the precoders are not normalized, the sum of the individual powers allocated to each user ($\sqrt{p_{k}}$) is not equal to the sum of powers transmitted (9). The notion of individual user consumption can be introduced to better explain this power loss due to the precoding. Finally, the $k$-th user $\mathrm{SINR}$ for the ZF precoding will read as $\mathrm{SINR}_{k}^{\text{ZF}}=|\tau_{kk}|^{2}p_{k}.$ (11) ### II-B Constructive Interference Zero Forcing beamforming The CIZF scheme, introduced in [9], allows the so-called constructive multiuser interference (cross-interference) to be added to the useful signal at each receiver. In general, given the full channel state information available at the transmitter and acknowledging the signal constellation, the CIZF scheme does not suppress the part of the cross-interference that is constructive and thus increases the power of the useful signal. A simple example of this concept is explained in Fig. 1. As discussed with detail in [9], the symbol to symbol multiuser interference results from the $i,j$-th element of the matrix $\mathbf{R}$ : $\rho_{ij}=\sum_{n=1}^{N_{t}}h_{in}\cdot({h_{jn}}^{\dagger})$. In the CI scenario, the received signal of (8) will become $\displaystyle y_{k}=\mathbf{\tau}_{kk}\sqrt{p_{k}}s_{k}+\sum_{j\neq k}\text{CI}_{kj}+n_{k}$ (12) where $\text{CI}_{kj}=\tau_{ki}\sqrt{p_{j}}s_{j}$ denotes the constructive cross-interference from the $j$-th data flow ($j$-th user) to the $k$-th user. Subsequently, the $k$-th user’s signal to interference plus noise ratio ($\mathrm{SINR}$) will read as $\mathrm{SINR}_{k}=\sum^{K}_{j=1}|\tau_{kj}|^{2}p_{j}.$ (13) Let us define as $\mathbf{G}=\text{diag}(\mathbf{s})\cdot\mathfrak{Re}(\mathbf{R})\cdot\text{diag}(\mathbf{s}),$ which yields $\displaystyle\mathbf{G}=\begin{pmatrix}s_{1}\mathfrak{Re}(\rho_{11})s_{1}&\dots&&\\\ \vdots&\ddots&&\\\ &&s_{k}\mathfrak{Re}(\rho_{kj})s_{j}&\\\ &&&\\\ \end{pmatrix}.$ (14) In order to indicate the cross-interference as CI, the signal constellation needs to be accounted for. Subsequently, the terms that position the received signal into the decision region of the transmitted symbols are beneficial and thus not cancelled by the precoding design. For the simple case of BPSK modulation, the cross-interference generated by the $j$-th data flow to the $k$-th destination, is considered to be constructive when $\displaystyle s_{k}\mathfrak{Re}(\rho_{kj})s_{j}>0,$ (15) which can be expressed as $\mathbf{G}_{kj}>0.$ Thus the CIZF precoder is deduced from $\displaystyle\tau_{kk}=\rho_{kk}$ (16) $\displaystyle\tau_{ki}=\begin{cases}\rho_{ki},&\text{If}\ [\mathbf{G}]_{kj}>0\\\ 0,&\text{elsewhere.}\end{cases}$ Therefore, the precoding matrix is computed on a symbol-by-symbol basis. ## III Power Allocation in Linear Precoding The impact of power allocation (PA) on the CIZF has not been addressed in existing literature on this topic [8, 9]. Therein, the problem was simplified by a uniform power allocation assumption, as defined in (10). In general, PA is performed to the end of maximizing some performance metric. The performance metrics commonly addressed in literature involve either the total throughput performance (i.e. max SR criterion) or the $\mathrm{SINR}$ level of the worst user (i.e. max fairness criterion). Another important parameter in linear precoding is the type of constraints that will be assumed. Usually, a total sum power constraint simplifies the analysis and provides better results since the available power is freely allocated across antennas. Herein, two objective functions of the achievable user rates that ensure maximum fairness (availability) and maximum SR (throughput), are considered. More specifically, the optimization problem reads as $\displaystyle\max_{\mathbf{P}\geq\mathbf{0}}f(\mathbf{P})$ (17) s.t. $\displaystyle\sum_{i=1}^{N_{t}}\sum_{j=1}^{K}|\omega_{ij}|^{2}p_{j}\leq P_{tot}$ where $\omega_{ij}$ is the $i,j$-th element of $\mathbf{W}$ and the objective function $f$ is given by [5]: $\displaystyle f(\mathbf{P})=\begin{cases}\sum_{k}\log_{2}(1+\mathrm{SINR}_{k}),&\text{\ Throughput}\\\ \min_{k}\mathrm{SINR}_{k},&\text{\ Fairness}\end{cases}$ (18) where $\mathrm{SINR}_{k}$ is given by (13) and $1\leq k\leq N_{t}$. Based on (18), the objective function is concave in $\mathbf{P}\geq 0$, for both scenarios and therefore the optimization problem is a simple concave maximization with one linear constraint. It is worth noting that for the case of the maximum throughput, the optimization problem can be solved using the water-filling solution. The problem of allocating the power to the end of maximising some system performance metric is discussed in the following Section (III-A). ### III-A Power Allocation An appropriate PA scheme distributes the total available power to the data flows in a way that maximizes an objective function of the achievable rates. In the case of conventional ZF precoding, the max throughput PA problem, under a total power constraint, reads as in (17) with objective function $\displaystyle f(\mathbf{P})=\sum_{k}\log_{2}\left(1+\mathrm{SINR}_{k}^{\text{ZF}}\right),$ (19) where the $\mathrm{SINR}_{k}^{\text{ZF}}$ is given by (11). In order to be able to easily show the impact of PA on CIZF and maintain concavity for the formulated optimization problems, we assume that the equivalent CIZF channel (with the modulation-based CI) refers to Gaussian inputs; this assumption allows to approximate the channel capacity of the system with the simple $\log$-based Shannon expressions. It should be clarified here, that the optimal power allocation problem for linear precoders under the constraint of finite input alphabets is a highly complex problem. The most recent attempt to solve it can be found in [13] where a heuristic optimization algorithm is developed. However, in the present paper, a preliminary study to exhibit the impact of PA on CIZF is performed, hence the strictly optimal solution is beyond the scope of the present work. #### III-A1 Simulation Results The effect of power allocation in the CIZF precoding design is plotted in Fig. 2. The power allocation problem (18) has been solved using the CVX tool in MATLAB [14]. Simulations where carried for $100$ channel instances, and for $K=N_{t}=4$. In Fig. 2, the gain from CIZF with uniform power allocation, as proposed in [9], over the conventional ZF is evident by comparing the dashed lines. The novel result, depicted in Fig. 2, is that power allocation further boosts the CIZF gain (continuous lines). More specifically, for the conventional ZF scheme power allocation introduces approximately $1$ dB of gain over the uniform allocation. However, when PA is applied in CIZF, then more than $2$ dB gain can be gleaned. It is therefore concluded that power allocation over the CIZF precoding scheme is an important aspect that introduces significant gains. Finally, in the same figure, the realistic region where the results apply is defined by a dashed line. This restriction comes from the acknowledgement of BPSK modulation as a practical constellation choice. The alleviation of this restriction via adaptive modulation methods is part of the future extensions of this work. Figure 2: Per user spectral efficiency of conventional ZF precoding under uniform and optimized PA, compared to the efficiency of the novel CIZF precoding under equivalent PA assumptions. PA optimization for max system throughput. The modulation constrained threshold for BPSK is also plotted. ### III-B Power Constrained Transmission In the present section, the existence of redundant CI interference terms is discussed. As can be seen from (10) and (13), the consideration of non-zero, off diagonal elements in the precoding matrices, i.e. CI terms, has a double impact on each user’s $\mathrm{SINR}$ and thus the sum system capacity; from one hand, it increases the expression $\sum_{i}|\tau_{ki}|^{2}p_{k}$ by adding more positive terms in the summation, but on the other hand, it changes the power allocated to each user in (9), (10). Therefore, a CI term in the CIZF is not always beneficial for the system performance. This partially constructive interference zero forcing (P-CIZF) scheme examines the tradeoff between the positive and the negative impact of an CI term by searching all combinations and selecting the most beneficial set of CI terms. The P-CIZF scheme can be formulated as $\displaystyle\max_{\\{\mathbf{p},\mathbf{T}^{(\mathcal{S})}\\}}f(\mathbf{p},\mathbf{T}^{(s)})$ (20) s.t. $\displaystyle\mathbf{T}^{(\mathcal{S})}\subseteq\mathbf{T}^{(\mathcal{S}_{tot})},$ $\displaystyle\sum_{i=1}^{M}\sum_{j=1}^{K}|\omega_{ij}|^{2}p_{j}\leq P_{tot}.$ (21) where $\displaystyle\mathcal{S}\subseteq\mathcal{S}_{tot}=2^{m},$ with $m=\left|[\mathbf{G}]_{ki}>0\right|$, the number of CI terms. The above definition means that the Partially-CIZF scheme searches all the possible combinations ($2^{m}$) of the CI terms and holds the one that maximizes the objective function considered. The optimization problem (20), will be solved under uniform (10) and optimal (21) power allocation considerations. Intuitively, the second consideration provides more flexibility in the design but finding the strictly beneficial terms while at the same time optimizing the PA is a highly complex procedure; for every possible combination of the CI terms, a new convex optimization PA problem is solved. As the purpose of this work is to demonstrate this interesting trade-off, more practical implementation of the P-CIZF scheme are beyond the scope of this paper. #### III-B1 Simulation Results In Fig. 3 the improvements of P-CIZF over the CIZF scheme are depicted. The performance is evaluated under uniform and optimized power allocation. Starting with the CIZF scheme under uniform power allocation, in Fig. 3, finding the strictly beneficial CI terms provides some gains. In each point of the figure, the percentage of the CI terms kept in the P-CIZF scheme over the total CI terms of the CIZF scheme is also depicted. Focusing on the dotted curves, in the uniform power allocation case, it is apparent that maintaining approximately $88\%$ of the total number of CI terms, provides small gains. These results exhibit the optimality of this approach, while analytical proof of the optimality is part of future work. The continuous curves in Fig. 3 correspond to an optimal (with respect to maximizing the total SR) power allocation assumption in P-CIZF precoding and again some gains are gleaned; thus the strict optimality of this approach is exhibited. Since the degrees of freedom in the precoder design are increased, less CI terms are maintained (approximately $65\%$). Intuitively, the above results can be explained by the fact that allowing only strictly beneficial terms in the precoder reduces power consumption, thus allowing for more power to be allocated to the users without exceeding the total power constraint imposed on the transmit antennas. It should be noted here, however, that the effects of this approach on the minimum supported rate (fairness) are not examined in the present work. Finally, higher gains of this approach could be gleaned over larger user sets, but by exponentially increasing the iterations of the searching algorithm. The investigation of such scenarios is part of future work. Figure 3: Evaluation of the P-CIZF compared to fully CIZF under equal and optimal power allocation. The percentages of the constructive terms maintained in the P-CIZF scheme, for each $\mathrm{SNR}$ point are also presented. ## IV User selection In this section, the user selection problem is formulated and a novel selection technique based on the exploitation of CI is proposed. Considering the decoupled nature between the user selection and the PA problem, as proven in [3], the performance of user selection is not affected by PA. However, in accordance with the previous results and more importantly to maximise the overall performance of the assumed system, PA is optimized independently after the user selection process. ### IV-A User Selection Methods #### IV-A1 Orthogonal user selection ZF beamforming has the potential of approaching the optimal channel capacity, otherwise only achievable by DPC, when all the users are perfectly orthogonal to each other, as proven by [3]. The same authors provided a heuristic low complexity user selection algorithm, namely the semi-orthogonal user selection ($\mathrm{SUS}$) algorithm, which was proven to select the optimal users, as the number of available users approaches infinity. However, it has never been applied in the CIZF framework. Due to lack of space, the reader is referred to[3, 2] for more details on this algorithm. It should be mentioned here, that the orthogonal user selection does not take into account the CI during the selection procedure. However, to maintain fairness in the study, after the selection, any CI terms that exist are maintained. #### IV-A2 Optimal Constructive Interference User Selection The investigated precoding scheme strongly depends on the transmitted signal (user constellation) and therefore the above conventional user selection schemes become unsuitable. A CIZF-based user selection metric should also consider the transmitted symbols, since the precoding matrix is defined via the CI and affects the final performance. In order to attain an upper bound for any CIZF-based user selection policy, all the possible combinations of users $\mathcal{Q}$ are examined and out of them, the combination $\mathcal{U}$ that maximizes the system throughput is chosen: $\displaystyle\mathcal{U}=\arg_{\mathcal{U}}\max_{\mathcal{U}\in\mathcal{Q}}\sum_{m}\log_{2}\left(1+\mathrm{SINR}_{m}\right),$ (22) where $\mathrm{SINR}_{m}$ is given by (13) under a uniform power allocation assumption, i.e. (10). It should be stressed that this method relies on exhaustive search over all possible combinations of users. As a result, a searching algorithm requires $\binom{K}{N_{t}}=K!/(K-N_{t})!$ iterations in order to decide about the optimal combination at each transmission. Considering that user selection methods perform better as the number of users increases[3], i.e. as $K>>N_{t}$, then the optimal solution becomes difficult to compute. In the scope of this work, a simpler heuristic algorithm is presented hereafter. #### IV-A3 Semi parallel user selection Inspired by the concept of user orthogonality, the purpose of this selection method is dual: users with CI need to be selected and furthermore these users need to be aligned (rather than orthogonal) so that the aggregate beneficial receive power is increased. Following this concept the semi-parallel user selection ($\mathrm{SPUS}$) algorithm, provided in pseudo-code in Alg. 1, has been developed. An analytic description of the algorithm follows. Initially, the algorithm accepts as input the CI matrix $\mathbf{G}$. The first step is to choose the user with the larger diagonal element. For this user, the cross-correlation elements with all other users are stored in the buffer vector $\mathbf{c}_{(i)}$ where $i$ is the iteration counter. Also the sets $\mathcal{S},\mathcal{T}$ that include the available and the selected users, are initialized and updated in every iteration. Cross-correlation is the inner product of the vector channels of two users and represents the level of orthogonality between the users. In this scenario, the purpose is to have as little orthogonality as possible so as to increase the received CI. In each of the $M$ iterations, (Step 2) the user with the strongest element in $\mathbf{c}_{(i)}$ is chosen. Then this user’s corresponding cross- correlations with all the users is added in the buffer matrix. By adding the cross-correlation of each selected user in the buffer matrix, a metric for the subspace of the previously selected users is created, since the aim of the algorithm is to find the most parallel users to the subspace spanned by the ones already selected. This is achieved by choosing the strongest element of the $\mathbf{c}$ vector in each iteration. Since in the previous steps no guarantee exists that a selected user has only CI towards the selected ones, in Step 3, the residual non-CI terms are removed from the precoding matrix. The developed heuristic, iterative algorithm runs for exactly $K$ iterations. #### Simulation Results A comparison in terms of maximum SR performance of the algorithms described in the previous section is presented in Fig. 4, where the performance of these algorithms was studied with optimized PA to maximize the total throughput. In this figure, the gain of the optimal user selection algorithm compared to existing approaches is clear. The best algorithm for ZF precoding, i.e. $\mathrm{SUS}$ [3], performs better than assuming no selection; however, approximately $6$ dB loss is expected over the optimal CIZF selection. This observation emanates the need for better user selection algorithms, when exploiting the benefits of CI. Accounting also for the complexity of an exhaustive search selection algorithm, as discussed in the previous section, a less complex heuristic algorithm is further necessitated. In this direction, $\mathrm{SPUS}$ has been developed. In Fig. 4, the close to optimal performance of the developed algorithm is clear; the proposed technique performs less than 1 dB away from the optimal selection. Furthermore, the performance of the developed algorithm under fairness maximization PA is examined in Fig. 5. Results indicate, that when the $\mathrm{SPUS}$ algorithm is combined with max fairness PA optimization, the performance degradation with respect to the optimal selection policy, is relatively small. Therefore, the proposed algorithm, developed for maximising the total throughput of the system, does not severely compromise the fairness of the system. By comparing Fig. 4 and 5, it is also noted that the the minimum user rates are not far from the average rate. This result indicates that the variance between the user rates is kept in reasonable levels when user selection is combined with PA to optimize the total SR. It is therefore concluded that fairness is not severely compromised in user selection scenarios, even when PA optimization is performed to maximize to total system SR. In Fig. 6 the performance of the discussed algorithms is studied with respect the size of the available user set. The beneficial effect of the increasing number of users is clear for all algorithms. What is more, for relatively small user pools the performance of the algorithms is beginning to saturate thus indicating that the main gains are gleaned for finite numbers of users, that are in line with the dimensions of practical operating multiuser systems. Figure 4: Performance of user selection algorithms with respect to the total available transmit power. Results for $N_{t}=4$ users selected out of a total pool of $K=12$ users. PA has been optimized to maximise the total system throughput. Figure 5: Performance of user selection algorithms with respect to the total available transmit power. Results for $N_{t}=4$ users selected out of a total pool of $K=12$ users. PA has been optimized to maximise minimum user rate. Figure 6: Performance of user selection algorithms with respect to the total available transmit power. Results for $N_{t}=4$ users selected out of a variable pool of users, for a fixed total transmit power of $15$ dB. ## V Conclusions and future work The concept of constructive interference in linear precoding systems has been examined under the framework of power optimization for the maximization of the system performance. Results indicate that an excess of 2dB gain can be gleaned by optimizing the power allocation with the aim of increasing the total system throughput in constructive interference precoding systems. Moreover, as it has been shown, the individual user power consumption of these schemes can be further reduced, thus leading to some gains. Finally, the user selection problem has been tackled for the novel type of precoding and a heuristic, low complexity, iterative algorithm with close to optimal performance has been proposed. Future extensions of this work include the investigation of constructive interference amongst users with different constellations in an adaptive modulation environment where the limitations induced by these practical constellations are alleviated. ## Acknowledgment This work was partially supported by the National Research Fund, Luxembourg under the project “$CO^{2}SAT:$ Cooperative & Cognitive Architectures for Satellite Networks’. Semi-Parallel User Selection (SPUS) algorithm Output: $\mathbf{G}_{out}$ Input: $\mathbf{G}=\text{diag}(\mathbf{s})\cdot\mathfrak{Re}(R)\cdot\text{diag}(\mathbf{s}),$ _Step 1: Initialization_ $\pi_{(0)}=\arg\max||\mathbf{h}_{k}||=\arg\max[\mathbf{G}]_{kk}$, $\forall k=1,...M:\mathbf{c}_{(0)}=\mathbf{G}(\pi_{(0)},k)$, $\mathcal{S}_{(0)}=\pi_{(0)}$ $\mathcal{T}_{(0)}=\\{1,\dots K\\}-\\{\pi_{(0)}\\}\ $ set of unprocessed users. for _$i=1\to M$ _ do _Step 2: Selection_ $\pi_{(i)}=\arg\max\mathbf{c}_{(i-1)},\text{ Provided that }\pi_{(i)}\in\ \mathcal{T}_{(i-1)}$; $\forall k=1,...M:\ \mathbf{c}_{(i)}=\mathbf{G}(\pi_{(i-1)},k)+\mathbf{G}(\pi_{(i)},k);$ $\mathcal{T}_{(i)}=\mathcal{T}_{(i-1)}-\\{\pi_{(i)}\\};$ $\mathcal{S}_{(i)}=\mathcal{S}_{(i-1)}+\\{\pi_{(i)}\\};$ end for _Step 3: Output_ $\mathbf{G}_{out}=\mathbf{G}(\mathcal{S}_{(M)})$; for _$m=1\to M$_ do for _$l=1\to M$_ do if _$\mathbf{G}(m,k) <0$ _ then $\mathbf{G}_{out}(m,k)=0$ end if end for end for Algorithm 1 Semi-Parallel User Selection Algorithm (SPUS) ## References * [1] M. Costa, “Writing on dirty paper,” _IEEE Trans. Inf. Theory_ , vol. 29, no. 3, pp. 439–441, 1983. * [2] T. Yoo and A. Goldsmith, “Optimality of zero-forcing beamforming with multiuser diversity,” in _IEEE Int. Conf. on Commun. (ICC)_ , vol. 1, May 2005, pp. 542–546. * [3] ——, “On the optimality of multi-antenna broadcast scheduling using zero-forcing beamforming,” _IEEE J. Select. Areas Commun._ , vol. 24, Mar. 2006. * [4] B. L. Ng, J. Evans, S. Hanly, and D. Aktas, “Distributed downlink beamforming with cooperative base stations,” _IEEE Trans. Inf. Theory_ , vol. 54, no. 12, pp. 5491 –5499, dec. 2008. * [5] A. Wiesel, Y. C. Eldar, and S. Shamai, “Zero forcing precoding and generalized inverses,” _IEEE Trans. Signal Process._ , vol. 56, no. 9, pp. 4409–4418, Sept. 2008. * [6] G. Dimic and N. Sidiropoulos, “On downlink beamforming with greedy user selection: performance analysis and a simple new algorithm,” _IEEE Trans. Signal Process._ , vol. 53, no. 10, pp. 3857 – 3868, Oct. 2005. * [7] T. Yoo and A. Goldsmith, “Capacity and power allocation for fading MIMO channels with channel estimation error,” _IEEE Trans. Inf. Theory_ , vol. 52, no. 5, pp. 2203–2214, May 2006. * [8] C. Masouros and E. Alsusa, “A novel transmitter-based selective-precoding technique for DS/CDMA systems,” _IEEE Signal Process. Lett._ , vol. 14, no. 9, pp. 637 –640, Sep. 2007. * [9] ——, “Dynamic linear precoding for the exploitation of known interference in MIMO broadcast systems,” _IEEE Trans. Wireless Commun._ , vol. 8, no. 3, pp. 1396 –1404, Mar. 2009. * [10] H. Weingarten, Y. Steinberg, and S. Shamai, “The capacity region of the Gaussian multiple-input multiple-output broadcast channel,” _IEEE Trans. Inf. Theory_ , vol. 52, no. 9, pp. 3936–3964, 2006. * [11] H. Viswanathan, S. Venkatesan, and H. Huang, “Downlink capacity evaluation of cellular networks with known-interference cancellation,” _IEEE J. Select. Areas Commun._ , vol. 21, no. 5, pp. 802–811, 2003. * [12] G. Caire and S. Shamai, “On the achievable throughput of a multiantenna Gaussian broadcast channel,” _IEEE Trans. Inf. Theory_ , vol. 49, no. 7, pp. 1691–1706, July 2003. * [13] Y. Wu, M. Wang, C. Xiao, Z. Ding, and X. Gao, “Linear precoding for MIMO broadcast channels with finite-alphabet constraints,” _IEEE Trans. Wireless Commun._ , vol. 11, no. 8, pp. 2906–2920, Aug. 2012. * [14] S. Boyd and L. Vandenberghe, _Convex optimization_. Cambridge Univ. Press, 2004.
arxiv-papers
2013-03-29T18:25:52
2024-09-04T02:49:43.601698
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Dimitrios Christopoulos, Symeon Chatzinotas, Ioannis Krikidis and\n Bjorn Ottersten", "submitter": "Dimitrios Christopoulos", "url": "https://arxiv.org/abs/1303.7454" }
1304.0026
# Socle pairings on tautological rings Felix Janda and Aaron Pixton ###### Abstract. We study some aspects of the $\lambda_{g}$ pairing on the tautological ring of $M_{g}^{c}$, the moduli space of genus $g$ stable curves of compact type. We consider pairing $\kappa$ classes with pure boundary strata, all tautological classes supported on the boundary, or the full tautological ring. We prove that the rank of this restricted pairing is equal in the first two cases and has an explicit formula in terms of partitions, while in the last case the rank increases by precisely the rank of the $\lambda_{g}\lambda_{g-1}$ pairing on the tautological ring of $M_{g}$. ## 1\. Introduction Let $M_{g,n}$ be the moduli space of smooth curves of genus $g$ with $n$ marked points and let $\overline{M}_{g,n}$ be the Deligne-Mumford compactification, the moduli space of stable $n$-pointed nodal curves of arithmetic genus $g$. Inside this, let $M_{g,n}^{c}$ be the subspace of stable pointed curves of compact type, i.e. curves whose dual graph is a tree. The intersection theory of these moduli spaces of curves is a subject of fundamental importance in algebraic geometry. When studying the Chow ring $A^{*}(\overline{M}_{g,n})$, one is naturally led to consider a subring consisting of the classes such as the Arborella-Cornalba $kappa$ classes that are defined via certain tautological maps between the $\overline{M}_{g,n}$. This subring is the tautological ring $R^{*}(\overline{M}_{g.n})$. Tautological rings $R^{*}(M_{g,n})$ and $R^{*}(M_{g,n}^{c})$ for $M_{g,n}$ and $M^{c}_{g,n}$ can be defined by restriction. We will primarily be interested in $R^{*}(M_{g}^{c})$, the case of compact type with no marked points. Inside $R^{*}(M_{g,n}^{c})$ there is the subring $\kappa^{*}(M_{g,n}^{c})$ generated by the $\kappa$ classes $\kappa_{1},\kappa_{2},\ldots$. The kappa ring $\kappa^{*}(M_{g,n}^{c})$ has been studied in detail by Pandharipande [6]. In particular, for $n>1$ a complete description of the kappa ring is given. When restricted to the moduli space of smooth curves $M_{g}$, the tautological ring $R^{*}(M_{g})$ is actually equal to the kappa ring $\kappa^{*}(M_{g})$. This means that on $M_{g}^{c}$, any tautological class can be written as the sum of a polynomial in the $\kappa$ classes and a class supported on the boundary. We denote by $BR^{*}(M_{g}^{c})$ the ideal of tautological classes supported on the boundary, so the tautological ring $R^{*}(M_{g}^{c})$ is linearly spanned by $\kappa^{*}(M_{g}^{c})$ and $BR^{*}(M_{g}^{c})$. A general element of $BR^{*}(M_{g}^{c})$ is a linear combination of classes obtained by taking the pushforward of tautological classes via gluing maps $M_{g_{1},n_{1}}^{c}\times M_{g_{2},n_{2}}^{c}\times\cdots\times M_{g_{k},n_{k}}^{c}\to M_{g}^{c}.$ When the class $1$ is pushed forward along such a map, this construction gives pure boundary strata. We let $PBR^{*}(M_{g}^{c})$ denote the linear subspace of $BR^{*}(M_{g}^{c})$ generated by the pure boundary strata. There are natural bilinear pairings $\displaystyle R^{r}(M_{g}^{c})\times R^{2g-3-r}(M_{g}^{c})\to R^{2g-3}(M_{g}^{c})\cong\mathbb{Q},$ $\displaystyle R^{r}(M_{g})\times R^{g-2-r}(M_{g})\to R^{g-2}(M_{g})\cong\mathbb{Q},$ given by the product in the Chow ring and the socle evaluations. These pairings are called the $\lambda_{g}$ and $\lambda_{g}\lambda_{g-1}$ pairings respectively because they may be defined by integrating against these classes in $\overline{M}_{g}$. In this paper we will study the restriction $\kappa^{d}(M_{g}^{c})\times R^{r}(M_{g}^{c})\to\mathbb{Q}$ of the $\lambda_{g}$-pairing for $r+d=2g-3$, for any $g\geq 2$. The following theorems, our main results, were previously conjectured by Pandharipande. ###### Housing Theorem. The rank of the $\lambda_{g}$-pairing of $\kappa$ classes against boundary classes $\kappa^{d}(M_{g}^{c})\times BR^{r}(M_{g}^{c})\to\mathbb{Q}$ equals the rank of the $\lambda_{g}$-pairing of $\kappa$ classes against pure boundary strata $\kappa^{d}(M_{g}^{c})\times PBR^{r}(M_{g}^{c})\to\mathbb{Q}.$ Furthermore, these ranks are equal to the number of partitions of $d$ of length less than $r+1$ plus the number of partitions of $d$ of length $r+1$ which contain at least two even parts. ###### Rank Theorem. The rank of the $\lambda_{g}$-pairing of $\kappa$ classes against general tautological classes $\kappa^{d}(M_{g}^{c})\times R^{r}(M_{g}^{c})\to\mathbb{Q}$ equals the sum of the rank of the $\lambda_{g}$-pairing of $\kappa$ classes against boundary classes $\kappa^{d}(M_{g}^{c})\times BR^{r}(M_{g}^{c})\to\mathbb{Q}$ and the rank of the $\lambda_{g}\lambda_{g-1}$ pairing $\kappa^{r}(M_{g})\times\kappa^{g-2-r}(M_{g})\to\mathbb{Q}.$ These theorems will be proven by direct combinatorial analysis of the well known formulae for calculating the integrals arising in the pairings. In particular, we have no geometric explanation of the Rank Theorem, which connects the compact type case and the smooth case. ### 1.1. Consequences It has been conjectured by Faber [1] that $\kappa^{*}(M_{g})=R^{*}(M_{g})$ is a Gorenstein ring with socle in degree $g-2$. He verified this for $g\leq 23$ by computing many relations between the $\kappa$ classes and checking that they produced a Gorenstein ring. However, starting in genus $24$, the known methods of producing relations have failed to give enough relations to yield a Gorenstein ring. In fact, the known relations have all been in the span of the Faber-Zagier (FZ) relations, and these relations produce a Gorenstein ring if and only if $g\leq 23$. There are therefore _mystery relations_ in $R^{*}(M_{g})$: formal polynomials in $\kappa$ classes which pair to zero with any $\kappa$ polynomial in $R^{*}(M_{g})$ of complementary degree but are not a linear combination of FZ relations. If one assumes Faber’s Gorenstein conjecture then these relations must hold in $R(M_{g})$. Since FZ relations extend to tautological relations in $R^{*}(\overline{M}_{g})$ (this is a consequence of the proof of the FZ relations in [7]), a possible reason for the existence of mystery relations might be if they do not extend tautologically to $R^{*}(M_{g}^{c})$ or $R^{*}(\overline{M}_{g})$. The Rank Theorem can be interpreted as saying that part of the obstruction to this extension is zero: the mystery relations at least extend to classes in the tautological ring of $M_{g}^{c}$ which pair to zero with the $\kappa$ subring. It is an interesting question whether the mystery relations extend to classes in the tautological ring of $M_{g}^{c}$ which are relations in the Gorenstein quotient (i.e. pair to zero with the entire tautological ring). In [6] Pandharipande gives a minimal set of generators of $\kappa^{*}(M_{g,n}^{c})$ and relates higher genus relations to genus 0 relations. More precisely, he shows that there is a surjective (graded) ring homomorphism $\kappa^{*}(M_{0,2g+n}^{c})\stackrel{{\scriptstyle\iota_{g,n}}}{{\to}}\kappa^{*}(M_{g,n}^{c}),$ which is an isomorphism for $n\geq 1$, or in degrees up to $g-2$ when $n=0$. The Rank Theorem gives us information about the $n=0$ case in higher degrees. ###### Theorem 1. Let $g\geq 2$, $0\leq e\leq g-2$, and $d=g-1+e$. Let $\delta_{d}$ be the rank of the kernel of the map from $\kappa^{d}(M_{g}^{c})$ to the Gorenstein quotient of $R^{*}(M_{g}^{c})$. Let $\gamma_{e}$ be the rank of the space of $\kappa$ relations of degree $e$ in the Gorenstein quotient of $R^{*}(M_{g})$. Then the degree $d$ part of the kernel of $\iota_{g,0}$ has rank $\gamma_{e}-\delta_{d}$. ###### Proof. By [6], the rank of $\kappa^{d}(M_{0,2g}^{c})$ is equal to $|P(d,2g-2-d)|$, the number of partitions of $d$ of length at most $2g-2-d$. On the other side, the rank of $\kappa^{r}(M_{g}^{c})$ is equal to $\delta_{r}$ plus the rank of the first pairing appearing in the Rank Theorem. The rank of the second pairing appearing in the Rank Theorem is given by the Housing Theorem, and the rank of the third pairing appearing in the Rank Theorem is equal to $|P(e)|-\gamma_{e}$. Putting these pieces together gives the theorem statement. ∎ Remark. The components $\gamma_{e}$ and $\delta_{d}$ appearing in the above theorem both have conjectural values. The FZ relations give a prediction for $\gamma_{e}$ (if they are the only relations in the first half of the Gorenstein quotient and are linearly independent): $\gamma_{e}=\begin{cases}a(3e-g-1)&\text{ if }e\leq\frac{g-2}{2}\\\ a(3(g-2-e)-g-1)&\text{ else},\end{cases}$ where $a(n)$ is the number of partitions of $n$ with no parts of sizes $5,8,11,\ldots$. The Gorenstein conjecture in compact type would imply that $\delta_{d}=0$, though in fact this is a much weaker statement. Combining these predictions gives a conjecture for all the Betti numbers of $\kappa^{*}(M_{g}^{c})$. ### 1.2. Plan of the paper In Section 2 we review basic facts about the tautological ring. In Section 3 we prove the Housing Theorem. In Section 4 we state and prove a slightly more explicit version of the Rank Theorem (see Theorem 2). ### Acknowledgments The first named author wants to thank his advisor Rahul Pandharipande for the introduction to this topic and various discussions. The beginning of Section 1.1 elaborates an email from him. The first named author was supported by the Swiss National Science Foundation grant SNF 200021_143274. The second named author was supported by an NDSEG graduate fellowship. ## 2\. The tautological ring ### 2.1. Tautological Classes The subrings $R^{*}(\overline{M}_{g.n})$ of tautological classes in the Chow rings $A^{*}(\overline{M}_{g,n})$ are collectively defined as the smallest subrings which are closed under pushforward by the maps forgetting markings $\overline{M}_{g,n}\to\overline{M}_{g,n-1}$ and the gluing maps $\overline{M}_{g_{1},n_{1}\sqcup\\{\star\\}}\times\overline{M}_{g_{2},n_{2}\sqcup\\{\bullet\\}}\to\overline{M}_{g_{1}+g_{2},n_{1}+n_{2}}$ and $\overline{M}_{g,n\sqcup\\{\star,\bullet\\}}\to\overline{M}_{g+1,n}$ defined by gluing together $\star$ and $\bullet$. It turns out that nearly all classes on the moduli space of curves that appear naturally in geometry lie in the tautological ring. For each $i=1,2,\ldots,n$, there is a line bundle $\mathbb{L}_{i}$ on $\overline{M}_{g,n}$ given by the cotangent space at the $i$th marked point. The first Chern classes of these line bundles are denoted by $\psi_{i}=c_{1}(\mathbb{L}_{i})\in A^{1}(\overline{M}_{g,n})$. The $\kappa$ classes are then pushforwards of powers of the $\psi$ classes: $\kappa_{m}=\pi_{*}(\psi_{n+1}^{m+1})\in A^{m}(\overline{M}_{g,n}),$ where $\pi$ is the forgetful map $\overline{M}_{g,n+1}\to\overline{M}_{g,n}$. It is well known (see e.g. [5]) that the $\kappa$ and $\psi$ classes combined with pushforward by the gluing morphisms alone are sufficient to generate the tautological rings. In other words, $R^{*}(\overline{M}_{g,n})$ is additively generated by classes of the form $\xi_{\Gamma}\left(\prod_{v\text{ vertex of }\Gamma}\theta_{v}\right),$ where $\Gamma$ is a stable graph expressing the data of the gluing map $\xi_{\Gamma}:\prod_{v\text{ vertex of }\Gamma}\overline{M}_{g(v),n(v)}\to\overline{M}_{g,n}$ and the $\theta_{v}\in R^{*}(\overline{M}_{g(v),n(v)})$ are arbitrary monomials in the $\psi$ and $\kappa$ classes. The tautological rings $R^{*}(M_{g,n}^{c})$ and $R^{*}(M_{g,n})$ are defined as the image of $R^{*}(\overline{M}_{g,n})$ under restriction. In the case of $R^{*}(M_{g,n}^{c})$, this means that the stable graph $\Gamma$ must be a tree, while $R^{*}(M_{g,n})$ is simply the subring of polynomials in the $\kappa$ and $\psi$ classes. The ring $R^{*}(M_{g,n}^{c})$ has one-dimensional socle, in degree $2g-3+n$: $R^{2g-3+n}(M_{g,n}^{c})\cong\mathbb{Q}.$ This gives a canonical (up to scaling) bilinear pairing on $R^{*}(M_{g,n}^{c})$, which can be realized explicitly by integrating against the Hodge class $\lambda_{g}$: $R^{*}(M_{g,n}^{c})\times R^{*}(M_{g,n}^{c})\to\mathbb{Q},\quad(\alpha,\beta)\mapsto\int_{\overline{M}_{g,n}}\alpha\beta\lambda_{g}.$ Here the integral is defined by taking any extensions of $\alpha$ and $\beta$ to $R^{*}(\overline{M}_{g,n})$. It is independent of which particular extension one has chosen because $\lambda_{g}$ vanishes on the complement of $M_{g,n}^{c}$. The $\lambda_{g}\lambda_{g-1}$ pairing is a similar pairing for the moduli space of smooth curves, given by $R^{*}(M_{g})\times R^{*}(M_{g})\to\mathbb{Q},\quad(\alpha,\beta)\mapsto\int_{\overline{M}_{g}}\alpha\beta\lambda_{g}\lambda_{g-1}.$ Notice that the $\lambda_{g}$ pairing on $R^{*}(M_{g}^{c})$ vanishes above degree $2g-3$ whereas the $\lambda_{g}\lambda_{g-1}$ pairing on $R^{*}(M_{g})$ already vanishes above degree $g-2$. ### 2.2. Notation concerning partitions In the following sections we will use the following notation heavily. A _partition_ $\sigma$ is an unordered collection of natural numbers (a multiset). We call its elements _parts_. Its _size_ is the sum of all its parts. The _length_ $\ell(\sigma)$ of a partition $\sigma$ is the number of parts in it. For natural numbers $n$, $r$ we denote by $P(n)$ the set of partitions of size $n$ and by $P(n,r)$ the set of partitions of size $n$ and length at most $r$. Furthermore, let $I(\sigma)$ be a set of $\ell(\sigma)$ elements which we will use to index the parts of $\sigma$. For example we could take $I(\sigma)=[\ell(\sigma)]:=\\{1,\dots,\ell(\sigma)\\}.$ For two partitions $\sigma,\tau\in P(n)$ and a map $\varphi:I(\sigma)\to I(\tau)$ we say that $\varphi$ is a _refining function_ of $\tau$ into $\sigma$ if for any $i\in I(\tau)$ we have $\tau_{i}=\sum_{j\in\varphi^{-1}(i)}\sigma_{j}.$ If for given $\sigma,\tau$ there exists a refining function $\varphi$ of $\tau$ into $\sigma$ we say that $\sigma$ is a refinement of $\tau$. For a finite set $S$, a _set partition_ $P$ of $S$ (written $P\vdash S$) is a set $P=\\{S_{1},\dots,S_{m}\\}$ of nonempty subsets of $S$ such that $S$ is the disjoint union of the $S_{i}$. For a partition $\sigma$ and a set $S$ of subsets of $I(\sigma)$ we define a new partition $\sigma^{S}$ indexed by the elements of $S$ by setting $(\sigma^{S})_{s}=\sum_{i\in s}\sigma_{i}$ for each $s\in S$. Usually we will take a set partition $P$ of $I(\sigma)$ for $S$. For a subset $T\subseteq I(\sigma)$ we define the _restriction $\sigma|_{T}$ of $\sigma$ to $T$_ by $\sigma^{S}$, where $S$ is the set of all 1-element subsets of $T$; in other words, $\sigma|_{T}=(\sigma_{t})_{t\in T}$. ### 2.3. Integral calculations The basic formula for the evaluation of the integrals arising in the $\lambda_{g}$ pairing is (see [3]) $\int_{\overline{M}_{g,n}}\prod_{i=1}^{n}\psi_{i}^{\tau_{i}}\lambda_{g}=\binom{2g-3+n}{\tau}\int_{\overline{M}_{g,1}}\psi_{1}^{2g-2}\lambda_{g},$ where $\tau_{1},\dotsc,\tau_{n}$ are nonnegative integer numbers with sum $2g-3+n$. The formula is symmetric with respect to the sorting of the markings and hence we only need to know the partition corresponding to $\tau$ in order to calculate these integrals. The only thing we will need to know about the integral on the right hand side is that it is nonzero (see [2]) since we are only interested in the ranks of the pairing. We will need to evaluate integrals involving $\psi$ classes as part of the proof of the housing theorem. However our main interest lies in the calculation of integrals involving $\kappa$ classes. Using the definition of the $\kappa$ classes as push-forwards of powers of $\psi$ classes we can find a nice expression for the quotients $\vartheta(\sigma;\tau):=\left(\int_{\overline{M}_{g,\ell(\tau)}}\kappa_{\sigma}\psi^{\tau}\lambda_{g}\right)\left(\int_{\overline{M}_{g,1}}\psi_{1}^{2g-2}\lambda_{g}\right)^{-1}.$ In this equation we have used $\kappa_{\sigma}$ as an abbreviation for $\prod_{i\in I(\sigma)}\kappa_{\sigma_{i}}$ and $\psi^{\tau}$ for $\prod_{i\in I(\tau)}\psi_{i}^{\tau_{i}}$ indexing the $|\tau|$ marked points by the parts of $\tau$. We will write $\vartheta(\sigma):=\vartheta(\sigma;\emptyset)$ when we just have $\kappa$ classes and no $\psi$ classes. ###### Lemma 1. For partitions $\sigma$ and $\tau$ such that $2g-3+\ell(\tau)=|\sigma|+|\tau|$ we have $\vartheta(\sigma;\tau)=\sum_{P\vdash I(\sigma)}(-1)^{|P|+\ell(\sigma)}\binom{2g-3+|P|+\ell(\tau)}{((\sigma^{P})_{i}+1)_{i\in P},\tau}.$ ###### Proof. From the basic socle evaluation formula we see that it suffices to prove the identity $\kappa_{\sigma}\psi^{\tau}\lambda_{g}=\sum_{P\vdash I(\sigma)}(-1)^{|P|+\ell(\sigma)}\pi_{*}\left(\psi^{((\sigma^{P})_{i}+1)_{i\in P}}\psi^{\tau}\lambda_{g}\right).$ in the Chow ring $R(\overline{M}_{g,\ell(\tau)})$, where by abuse of notation $\pi$ is the forgetful map $\overline{M}_{g,\ell(\tau)+n}\to\overline{M}_{g,\ell(\tau)}$ for the appropriate $n$. Since $\pi^{*}(\lambda_{g})=\lambda_{g}$, we can further reduce to $\kappa_{\sigma}\psi^{\tau}=\sum_{P\vdash I(\sigma)}(-1)^{|P|+\ell(\sigma)}\pi_{*}\left(\psi^{((\sigma^{P})_{i}+1)_{i\in P}}\psi^{\tau}\right).$ This follows from the pushforward formula $\pi_{*}\left(\psi^{(\sigma_{i}+1)_{i\in P}}\psi^{\tau}\right)=\sum_{P\vdash I(\sigma)}\left(\prod_{S\in P}(|S|-1)!\right)\kappa_{\sigma^{P}}\psi^{\tau}.$ and partition refinement inversion. ∎ To evaluate the more general integrals which arise when we pair $\kappa$ classes with arbitrary tautological classes, we can restrict ourselves to pairing a $\kappa$ monomial with the additive set of generators described in Section 2.1. In this case we have to sum over the set of possible distributions of the $\kappa$ classes to the vertices of $\Gamma$ and then multiply the $\lambda_{g}$ integrals at each vertex. The $\lambda_{g}\lambda_{g-1}$ pairing formula is similar: $\int_{\overline{M}_{g,n}}\psi^{\sigma}\lambda_{g}\lambda_{g-1}=\frac{(2g-3+\ell(\sigma))!(2g-1)!!}{(2g-1)!\prod_{i\in I(p)}(2\sigma_{i}+1)!!}\int_{\overline{M}_{g}}\psi^{g-2}\lambda_{g}\lambda_{g-1}.$ The integral on the right hand side is known to be nonzero (see [4]). We can calculate the $\kappa$ integrals analogously to Lemma 1. ## 3\. The Housing Theorem ### 3.1. Housing Partitions Let us now study pairing $\kappa$ monomials of degree $d$ with pure boundary classes via the $\lambda_{g}$ pairing. Each pure boundary stratum in codimension $2g-3-d$ is determined by a tree $\Gamma=(V,E)$ with $|V|=2g-2-d$ vertices and $|E|=2g-3-d$ edges and a genus function $g:V\to\mathbb{Z}_{\geq 0}$ with $\sum_{v\in V}g(v)=g$. Then the class is the push-forward of $1$ along the gluing map $\xi_{\Gamma}:\prod_{v\in V}M_{g(v),n(v)}^{c}\to M_{g}^{c}$ corresponding to the tree $\Gamma$, where $n(v)$ is the degree of the vertex $v$. From this data we obtain a partition of $\displaystyle\sum_{v\in V}(2g(v)-3+n(v))$ $\displaystyle=2g-3(2g-2-d)+2(2g-3-d)$ $\displaystyle=d$ by collecting the socle dimensions $2g(v)-3+n(v)$ for each vertex $v\in V$ and throwing away the zeroes. We will call this partition the _housing data_ of the pure boundary stratum. From the $\lambda_{g}$ formula it is easy to see that the pairing of the $\kappa$ ring with a pure boundary stratum is determined by its housing data. On the other hand it is interesting to consider which partitions of $d$ can arise as housing data corresponding to a pure boundary stratum. We will call these partitions _housing partitions_. ###### Lemma 2. A partition $\sigma$ of $d$ is a housing partition if and only if it either has fewer than $2g-2-d$ parts or exactly $2g-2-d$ parts with at least two even. ###### Proof. Only partitions of length at most $2g-2-d$ can be housing partitions because there are only that many vertices. Furthermore it is easy to see that no partition of $2g-2-d$ parts with fewer than two even parts can arise since every vertex with only one edge gives an even part (or no part if $g(v)=1$). Now suppose $\sigma$ is a partition of $d$ with either fewer than $2g-2-d$ parts or exactly $2g-2-d$ parts with at least two even. Let $(\tau_{i})_{1\leq i\leq 2g-2-d}$ be the tuple of nonnegative integers given by appending $2g-2-d-\ell(\sigma)$ zeroes to $\sigma$, so the sum of the $\tau_{i}$ is $d$ and exactly $2k+2$ of the $\tau_{i}$ are even for some nonnegative integer $k$. Construct a tree $\Gamma$ by taking a path of $2g-2-d-k$ vertices and adding $k$ additional leaves connected to vertices $2,3,\ldots,k+1$ along the path respectively. Thus $\Gamma$ has $2g-2-d$ vertices, each of degree at most three, and exactly $2k+2$ of the vertices of $\Gamma$ have odd degree. We now choose a bijection between the $\tau_{i}$ and the vertices of $\Gamma$ such that even $\tau_{i}$ are assigned to vertices of odd degree. We can then assign a genus $g_{i}=(\tau_{i}+3-n_{i})/2$ to each vertex, where $n_{i}$ is the degree of the vertex to which $\tau_{i}$ was assigned. The resulting stable tree has housing data $\sigma$, as desired. ∎ ### 3.2. Reduction to a combinatorial problem We have already described the housing data of a pure boundary stratum. Let us now describe a similar notion for any class in the generating set described in Section 2.1. Such a class is given by a boundary stratum corresponding to a tree $\Gamma=(V,E)$ and a genus assignment $g:V\to\mathbb{Z}_{\geq 0}$, along with assignments of monomials in $\kappa$ and $\psi$ classes (of degrees $r(v)$ and $s(v)$ respectively) to each component of the stratum. Let $k=\sum_{v\in V}(r(v)+s(v))$; then we must have $|E|=2g-3-d-k$ edges in the tree in order to obtain a class of degree $2g-3-d$. If this class does not vanish by dimension reasons then we can obtain a partition $\gamma$ of $\sum_{v\in V}(2g(v)-3+n(v)-r(v)-s(v))=\\\ 2g-3(2g-2-d-k)+2(2g-3-d-k)-k=d$ by assigning to each vertex of $V$ the number $2g(v)-3+n(v)-r(v)-s(v)$. This is exactly the degree $d^{\prime}(v)$ such that the $\lambda_{g(v)}$ pairing of $R^{d^{\prime}(v)}(M_{g(v),n(v)}^{c})$ with the monomial of $\psi$ and $\kappa$ classes at $v$ is not zero for dimension reasons. Then the pairing with the boundary class is determined by the partition $\gamma$, an assignment of degrees $r(i)$ and $s(i)$ to the parts $i\in I(\gamma)$ and partitions $\tau_{i}\in P(r(i))$ and $\rho_{i}\in P(s(i))$ corresponding to the $\kappa$ and $\psi$ monomials. In particular we can leave out classes which were assigned to vertices with $2g(v)-3+n(v)-r(v)-s(v)=0$ and we do not need to remember which node corresponds to each $\psi$. The result of the $\lambda_{g}$ pairing of this class together with a $\kappa$ monomial corresponding to a partition $\pi$ of $d$ is (up to scaling) given by $\sum_{\varphi}\prod_{j\in I(\gamma)}\vartheta\left(\pi_{\varphi^{-1}(j)},\tau_{j};\rho_{j}\right),$ where the sum runs over all refining functions $\varphi$ of $\gamma$ into $\pi$. When we view $\mathbb{Q}^{P(d)}$ as a ring of formal $\kappa$ polynomials, this pairing gives linear forms $v_{\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}\in\left(\mathbb{Q}^{P(d)}\right)^{*}$. We notice that the formulas still make combinatorial sense even if the $\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}$ data does not come from pairing with an actual tautological class. The special case where all the $r(i)$ and $s(i)$ are zero gives the pairing of $\kappa$ classes with pure boundary classes. We get $|P(d)|$ linear forms $M_{\lambda}$, which we normalize such that $M_{\lambda}(\lambda)=1$: (1) $M_{\lambda}(\pi)=\frac{1}{\mathrm{Aut}(\lambda)}\sum_{\varphi}\prod_{j\in I(\lambda)}\vartheta\left(\pi_{\varphi^{-1}(j)}\right).$ In this way we obtain a basis of $\left(\mathbb{Q}^{P(d)}\right)^{*}$. If we sort partitions in any way such that shorter partitions come before longer partitions, then the basis change matrix from this basis to the standard basis is triangular with ones on the diagonal. Note that this basis uses some partitions which are not housing partitions. The housing theorem can now be reformulated as follows: ###### Claim. The span of $\\{M_{\lambda}:\lambda\text{ is a housing partition}\\}$ in $\left(\mathbb{Q}^{P(d)}\right)^{*}$ equals the span of the $v_{\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}$ for all choices of housing data. To prove this claim we will first express the vectors $v_{\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}$ for any choice of housing data in terms of the basis of $\left(\mathbb{Q}^{P(d)}\right)^{*}$ we have described above in Section 3.3. We will then in Section 3.4 rewrite the coefficients as counts of certain combinatorial objects. This combinatorial interpretation is proved in Section 3.5. We conclude in Section 3.6 by showing that when expressing vectors $v$ corresponding to actual housing data in terms of the $M_{\lambda}$, the coefficient is zero whenever $\lambda$ is not a housing partition. ### 3.3. A Matrix Inversion In section 3.2 we have seen that there are formal expansions $v_{\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}=\sum_{\lambda\in P(d)}c_{\lambda,\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}M_{\lambda}$ for some coefficients $c_{\lambda,\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}$. We can calculate $c_{\lambda,\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}$ explicitly by inverting the triangular matrix given by equation (1). We obtain $\displaystyle c_{\lambda,\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}=\sum_{l=0}^{\infty}(-1)^{l}\sum_{\lambda_{0}\stackrel{{\scriptstyle\varphi_{1}}}{{\to}}\dots\stackrel{{\scriptstyle\varphi_{l}}}{{\to}}\lambda_{l}\stackrel{{\scriptstyle\varphi_{l+1}}}{{\to}}\gamma}\frac{v_{\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}(\lambda_{l})}{\prod_{i=1}^{l}|\mathrm{Aut}(\lambda_{i})|}\prod_{i=1}^{l}\prod_{j\in I(\lambda_{i})}\vartheta\left((\lambda_{i-1})_{\varphi_{i}^{-1}(j)}\right),$ where we sum over chains $\lambda=\lambda_{0},\dotsc\lambda_{l}$ of refinements of $\gamma$ with corresponding refinement functions $\varphi_{i}$. In particular $c_{\lambda,\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}=0$ if $\lambda$ is not a refinement of $\gamma$. We can reduce to the special case in which $\gamma=(d)$ is of length one by splitting this sum based on the composition $\varphi:=\varphi_{l+1}\circ\varphi_{l}\circ\dots\circ\varphi_{1}$ and examining the contribution of the preimages of the $j\in I(\gamma)$. The result is (2) $c_{\lambda,\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}=\sum_{\varphi}\prod_{j\in I(\gamma)}c_{\lambda_{\varphi^{-1}(j)},(\gamma_{j}),\\{\tau_{j}\\},\\{\rho_{j}\\}},$ summed over refinements $\varphi$ of $\gamma$ into $\lambda$. When $\gamma=(d)$, we set $\tau_{1}=:\tau$ and $\rho_{1}=:\rho$ and we can write more compactly (3) $c_{\lambda,(d),\\{\tau\\},\\{\rho\\}}=\sum_{l=0}^{\infty}(-1)^{l}\sum_{\lambda_{0}\stackrel{{\scriptstyle\varphi_{1}}}{{\to}}\dots\stackrel{{\scriptstyle\varphi_{l}}}{{\to}}\lambda_{l}}\frac{\vartheta(\lambda_{l},\tau;\rho)}{\prod_{i=1}^{l}|\mathrm{Aut}(\lambda_{i})|}\prod_{i=1}^{l}\prod_{j\in I(\lambda_{i})}\vartheta\left((\lambda_{i-1})_{\varphi_{i}^{-1}(j)}\right).$ ### 3.4. Interpreting the coefficients combinatorially We will interpret the coefficients $c_{\lambda,(d),\\{\tau\\},\\{\rho\\}}$ as counting certain permutations of symbols labeled by the parts of the partitions $\lambda,\tau$, and $\rho$. We say that a symbol is _of kind $i$_ if it is labelled by some $i$ belonging to the disjoint union of the indexing sets of the partitions, $I(\lambda)\sqcup I(\tau)\sqcup I(\rho)$. There will in general be multiple symbols of a given kind. ###### Main Claim. The coefficient $c_{\lambda,(d),\\{\tau\\},\\{\rho\\}}$ counts the number of permutations of * • $\lambda_{i}+1$ symbols of kind $i$ for each $i\in I(\lambda)$, * • $\tau_{i}+1$ symbols of kind $i$ for each $i\in I(\tau)$, and * • $\rho_{i}$ symbols of kind $i$ for each $i\in I(\rho)$ such that: 1. (1) If the last symbol of some kind $i$ is immediately followed by the first symbol of kind $j$ with $i,j\in I(\lambda)\sqcup I(\tau)$, then we have $i<j$. 2. (2) For $i\in I(\lambda)$ the last element of kind $i$ is not immediately followed by a symbol of kind $j$ for any $j\in I(\lambda)$, averaged over all total orders $<$ of $I(\lambda)\sqcup I(\tau)$ such that elements of $I(\tau)$ are smaller than elements of $I(\lambda)$. It follows in particular that the coefficient $c_{\lambda,\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}$ is non-negative. ### 3.5. Proof of the main claim #### 3.5.1. Refinements of permutations of symbols For given natural numbers $d$, $n$ and a partition $\tau\in P(d)$ we will study permutations of $\tau_{i}+1$ symbols of kind $i$ for $i\in I(\tau)$ and $n$ symbols of kind $c$. (The permutations of symbols appearing in the previous section are an instance of this.) We will need to construct refined permutations of this type for partition refinements $\varphi:I(\sigma)\to I(\tau)$. For this we need additional _refinement data_ : for each $i\in I(\tau)$, let $T_{i}$ be a permutation of $\sigma_{j}+1$ symbols of kind $j$ for $j\in\varphi^{-1}(i)$. Then we can obtain a permutation $S^{\prime}$ of $\sigma_{i}+1$ symbols of kind $i$ and $n$ symbols of kind $c$ in the following way: For each $i\in I(\tau)$ and each $j\in\varphi^{-1}(i)$, modify $T_{i}$ by gluing the last symbol of kind $j$ with the immediately following symbol; the result is a permutation $T^{\prime}_{i}$ of $\tau_{i}+1$ symbols. To construct $S^{\prime}$ from $S$, for each $i$ we replace the symbols of kind $i$ by $T^{\prime}_{i}$ and then remove the glue. #### 3.5.2. Reinterpretation We start with a combinatorial interpretation of the number $\vartheta(\sigma;\tau)$ for partitions $\sigma$ and $\tau$. ###### Lemma 3. Given an arbitrary total order $<$ on $I(\sigma)$, the number $\vartheta(\sigma;\tau)$ is equal to the number of permutations of * • $\sigma_{i}+1$ symbols of kind $i$ for each $i\in I(\sigma)$ and * • $\tau_{i}$ symbols of kind $i$ for each $i\in I(\tau)$ such that the following property holds: If the last symbol of kind $i$ is immediately followed by the first symbol of kind $j$ for $i,j\in I(\sigma)$ then we have $i<j$. ###### Proof. For each permutation $S$ of symbols as above, but not necessarily satifying the property, we can assign a set partition $Q_{S}\vdash I(\sigma)$ which measures in what ways it fails to satisfy the property: $Q_{S}$ is the finest set partition such that if $i<j$ and the last symbol of kind $i$ is immediately followed by the first symbol of kind $j$ in $S$, then $i$ and $j$ are in the same part of $Q_{S}$. Thus $S$ satisfies the given property if and only if $Q_{S}$ is the set partition with all parts of size $1$. The multinomial coefficient in the summand in the formula for $\vartheta(\sigma;\tau)$ given by Lemma 1 corresponding to a set partition $P\vdash I(\sigma)$ counts the number of permutations $S$ such that for $p=\\{p_{1},\ldots,p_{k}\\}\in P$ with $p_{1}<\cdots<p_{k}$, the last element of kind $p_{i}$ is immediately followed by the first element of kind $p_{i+1}$ in $S$ for $i=1,\cdots,k-1$. These are precisely the $S$ such that $Q_{S}$ can be obtained by combining parts of $P$ such that the largest element in one part is smaller than the smallest element of the other part. This means that the contribution of a permutation with failure set partition $Q=\\{Q_{1},\ldots,Q_{k}\\}$ to the sum in Lemma 1 is precisely $\prod_{i=1}^{k}\sum_{j=0}^{|Q_{k}|-1}(-1)^{j}\binom{|Q_{k}|-1}{j},$ which is $1$ for $Q$ the set partition with all parts of size $1$ and $0$ otherwise. ∎ Equipped with Lemma 3, the next step is to interpret the coefficient $c_{\lambda,(d),\\{\tau\\},\\{\rho\\}}$ as the sum of the values of a function $f$ on the set $S_{\lambda,\tau,\rho}$ of permutations of $\lambda_{i}+1$, $\tau_{i}+1$, $\rho_{i}$ symbols of kind $i$ for $i\in I(\lambda)$, $i\in I(\tau)$ and $i\in I(\rho)$ respectively. Fix * • a chain of partitions $\lambda_{0}=\lambda,\lambda_{1},\dots,\lambda_{l}$ with refining maps $\varphi_{i}$, * • an order $<$ on $I(\lambda_{l})\sqcup I(\tau)$ such that elements of $I(\tau)$ appear before elements of $I(\lambda_{l})$, * • orders on $\varphi_{i}^{-1}(j)$ for $1\leq i\leq l$ and $j\in I(\lambda_{i})$. Then we identify each $\kappa$ socle evaluation factor $\vartheta\left((\lambda_{i-1})_{\varphi_{i}^{-1}(j)}\right)$ with the number of permutations of $(\lambda_{i-1})_{k}+1$ symbols of kind $k\in\varphi_{i}^{-1}(j)$ such that if the last symbol of kind $k$ is immediately followed by the first symbol of kind $k^{\prime}$, then $k<k^{\prime}$. We interpret each such permutation as refinement data corresponding to the refinement $\varphi_{i}$ of $\lambda_{i}$ into $\lambda_{i+1}$. Furthermore we interpret the factor $\vartheta\left(\lambda_{l},\tau;\rho\right)$ as the number of permutations of $(\lambda_{l})_{k}+1$, $\tau_{k}+1$ and $\rho_{k}$ symbols of kind $k$ with $k\in I(\lambda_{l})$, $k\in I(\tau)$ and $k\in I(\rho)$ respectively such that if the last symbol of kind $k$ is immediately followed by the first symbol of kind $k^{\prime}$ for $k,k^{\prime}\in I(\lambda_{l})\sqcup I(\tau)$, then $k<k^{\prime}$. In order to remove the dependence on the chosen orders we will average over all choices of them. #### 3.5.3. Simplification Given all this data, we can build a “composite permutation” by repeatedly refining the collection of symbols of kind $k$ with $k\in I(\lambda_{l})$ using the construction from Section 3.5.1 and keeping the order of the other symbols intact. The result is a permutation of $\lambda_{k}+1$, $\tau_{k}+1$ and $\rho_{k}$ symbols of kind $k$ for $k\in I(\lambda)$, $k\in I(\tau)$ and $k\in I(\rho)$ respectively. Any permutation obtained in this way has the property that the last symbol of any kind $j\in I(\lambda)$ is not immediately followed by the first symbol of some kind $j^{\prime}\in I(\tau)$. For any permutation in $S_{\lambda,\tau,\rho}$ we assign a set partition $P\vdash I(\lambda)$, which measures in what way it fails to satisfy condition (2) in the main claim. We define $P$ to be the finest set partition such that if the last symbol of kind $i$ is immediately followed by a symbol of kind $j$ for $i,j\in I(\lambda)$ then $i$ and $j$ lie in the same set in $P$. Now, suppose we are given a chain of partitions $\lambda,\lambda_{1},\dots,\lambda_{l}$ along with additional refining data and base permutation as above, and supppose the resulting composite permutation has failure set partition $P$ that is not the partition into one- element sets. By the definition of $P$, if we change the order on $I(\lambda)\sqcup I(\tau)$ such that the order on $I(\tau)$ and each element of $P$ is preserved, all the conditions on the data are still satisfied. On the other hand, consider the following data: * • the chain $\lambda,\lambda_{1},\dots,\lambda_{l},\lambda_{l}^{P}$ with refining maps $\varphi_{i}$ as before, * • any refining map $\varphi^{\prime}:I(\lambda_{l})\to I(\lambda_{l}^{P})$ which is up to an automorphism of $\lambda_{l}^{P}$ the canonical one, * • the orders and refining data corresponding to the $\varphi_{i}$ as before, * • in addition an order on each element of $P$ induced by the order on $I(\lambda_{l})\sqcup I(\tau)$, * • refining data corresponding to $\varphi^{\prime}$ induced from the permutation corresponding to $\lambda_{l}$, $\tau$ and $\rho$, * • any order on $I(\lambda_{l}^{P})\sqcup I(\tau)$ such that the restriction to $I(\tau)$ is the restriction of the order on $I(\lambda_{l})\sqcup I(\tau)$ and such that elements of $I(\tau)$ appear before elements of $I(\lambda_{l}^{P})$, * • permutations of $(\lambda_{l}^{P})_{i}+1$, $\tau_{i}+1$, $\rho_{i}$ symbols of kind $i$ for $i\in P$, $i\in I(\tau)$ and $i\in I(\rho)$ respectively, defined from the permutation corresponding to $\lambda_{l}$ by leaving out the last symbol of any kind $i\in I(\lambda_{l})$ which is not the last one in a set of $P$ and identifying symbols according to $P$. It is easy to check that the refining data and the permutation still satisfy the order conditions. Furthermore, the failure set partition of the composite partition of this new data is the partition into one-element sets. The original chain with additional data giving failure set partition $P$ and the extended chain with additional data giving failure set partition the partition into one-element sets contribute to $c_{\lambda,(d),\\{\tau\\},\\{\rho\\}}$ in formula (3) with opposite signs, since the extended chain is one element longer. We claim these contributions are actually equal. For the original chain, we have $\frac{(\ell(\lambda_{l}))!}{\prod_{j\in P}|\varphi^{\prime-1}(j)|!}$ choices of orders on $I(\lambda)\sqcup I(\tau)$ in the above construction. For the extended chain, we made $|\mathrm{Aut}(\lambda_{l}^{P})|(\ell(\lambda_{l}^{P}))!$ choices in the above construction. However, the contributions are also weighted by averaging over choices of orders and by the coefficients in (3). For the original chain the weight is $((\ell(\lambda_{l}))!)^{-1}$ and for the extended chain the weight is $\left(|\mathrm{Aut}(\lambda_{l}^{P})|(\ell(\lambda_{l}^{P}))!\prod_{j\in P}|\varphi^{\prime-1}(j)|!\right)^{-1}.$ Thus the two contributions cancel. The only remaining contributions come when $l=0$ and $P$ is the set partition into one-element sets. These are the permutations counted in the main claim. ### 3.6. Proof of the Housing Theorem We begin with a simple lemma. ###### Lemma 4. Suppose $r+s+\ell(\gamma)<\ell(\lambda)$. Then $c_{\lambda,\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}=0$. ###### Proof. We examine the summand in formula (2) corresponding to some $\varphi$. A factor in this summand can only be nonzero if $r(i)+s(i)+1\geq\ell(\varphi^{-1}(i))$. Therefore each summand will vanish unless $r+s+\ell(\gamma)\geq\ell(\lambda)$. ∎ Now let us suppose that $\gamma$, $\\{\tau_{i}\\}$, $\\{\rho_{i}\\}$ is the housing data of a boundary class of the generating set. We need to show that $c_{\lambda,\gamma,\\{\tau_{i}\\},\\{\rho_{i}\\}}=0$ for each $\lambda$ which is not a housing partition. Let us first study the case $\ell(\lambda)>2g-2-d$. Since $\gamma$ is derived from a boundary stratum of at most codimension $2g-3-d-r-s$ (we are missing the $\psi$ and $\kappa$ classes from the components, which do not contribute to $\gamma$) by diminishing parts by their $\kappa$ and $\psi$ degrees, we have the inequality $\ell(\gamma)\leq 2g-2-d-r-s$. Then by Lemma 4 we are done in this case. The same argument settles also the case where there are components of the boundary stratum we are considering which do not appear in $\gamma$ and $\ell(\lambda)=2g-2-d$. Now assume that $\ell(\lambda)=2g-2-d$ and that $\lambda$ contains no even part. Then by the same arguments if the coefficient is nonzero, we must have $\ell(\gamma)=2g-2-d-r-s$. Then from the proof of Lemma 4 we see that $r(i)+s(i)=\ell(\varphi^{-1}(i))-1$ for each $i\in I(\gamma)$. This implies $\ell(\varphi^{-1}(i))+r(i)+s(i)\equiv 1\pmod{2}$ and therefore for each $i\in I(\gamma)$ we have $\gamma_{i}+r(i)+s(i)\equiv 1\pmod{2}$. Hence each part of the housing data (for the underlying boundary stratum), which $\gamma$ was obtained from by subtraction of $r(i)+s(i)$ at each part, is odd. This is a contradiction, so the coefficient must be zero, as desired. ## 4\. The Rank Theorem ### 4.1. Reformulation Let us first formulate a stronger version of the Rank Theorem. ###### Theorem 2. For any $\kappa$ polynomial $F$ in degree $r:=2g-3-d$ the following two statements are equivalent: 1. (1) For any $\pi\in P(g-2-r)$ we have $\int_{\overline{M}_{g}}F\kappa_{\pi}\lambda_{g}\lambda_{g-1}=0$. 2. (2) There is a $B\in PBR^{r}(M_{g}^{c})$ such that for any $\pi^{\prime}\in P(2g-3-r)$ we have $\int_{\overline{M}_{g}}(F-B)\kappa_{\pi^{\prime}}\lambda_{g}=0$. It will be convenient to show that we can replace the first condition in Theorem 2 by 1. (3) For any $\pi\in P(g-2-r)$ of length at most $r+1$ we have $\int_{\overline{M}_{g}}F\kappa_{\pi}\lambda_{g}\lambda_{g-1}=0$. Then Theorem 2 will follow from the following simple argument. Consider an $F$ satisfying the second condition and we want to show that $\int_{\overline{M}_{g}}F\kappa_{\pi}\lambda_{g}\lambda_{g-1}=0$ for some given $\pi\in P(g-2-r)$. Notice that then also $F\kappa_{\pi}$ satisfies the second condition since $B\kappa_{\pi}$ lies in $BR^{g-2}(M^{c}_{g})$ and by the housing theorem can be replaced by some $B^{\prime}\in PBR^{g-2}(M^{c}_{g})$. We then find that $\int_{\overline{M}_{g}}F\kappa_{\pi}\lambda_{g}\lambda_{g-1}=0$ since in this case the length condition is trivial. As we have seen in Section 3.5.2, not only boundary classes but also every $\kappa$ class can be written in terms of virtual boundary strata in the $\lambda_{g}$ pairing with the kappa ring. So the second condition in the theorem is equivalent to the condition that only actual boundary strata are needed in the expansion of $F$. Notice that by Lemma 4 we only need strata corresponding to partitions of $2g-3-r$ of length at most $r+1$. However we might need terms corresponding to partitions $2g-3-r$ of length equal to $r+1$ with only odd parts, and those are the terms we are interested in. For the proof of the Rank Theorem we will need to understand the coefficients corresponding to these classes better. Observe that partitions of $2g-3-r$ of length being equal to $r+1$ with only odd parts correspond to partitions of $g-2-r$ of length at most $r+1$. So for any $\sigma\in P(g-2-r,r+1)$ we can look at $\eta_{\sigma},\mu_{\sigma}\in(\mathbb{Q}^{P(r)})^{*}$ with $\eta_{\sigma}(\tau):=c_{\lambda,\tau,\emptyset}$, where $\lambda$ is the partition of $2g-3-r$ of length $r+1$ corresponding to $\sigma$, and $\mu_{\sigma}(\tau)$ is up to a factor the integral $\int_{\overline{M}_{g}}\kappa_{\sigma}\kappa_{\tau}\lambda_{g}\lambda_{g-1}$, namely $\mu_{\sigma}(\tau)=\sum_{P\vdash I(\sigma)\sqcup I(\tau)}(-1)^{\ell(\sigma)+\ell(\tau)+|P|}\frac{(2g-3+|P|)!}{\prod_{i\in P}(2(\sigma,\tau)^{P}_{i}+1)!!}.$ So what we need to show is the following: ###### Claim. The $\mathbb{Q}$-subspaces of $(\mathbb{Q}^{P(r)})^{*}$ spanned by $\eta_{\sigma}$ and $\mu_{\sigma}$ for $\sigma$ ranging over all partitions of $g-2-r$ of length at most $r+1$ are equal. Recall from Section 3.5.2 that $\eta_{\sigma}(\tau)$ is the number of all permutations $S$ of $\lambda_{i}+1$ symbols of kind $i\in I(\lambda)$ and $\tau_{i}+1$ symbols of kind $i\in I(\tau)$ satisfying 1. (1) The last symbol of kind $i$ for some $i\in I(\lambda)$ is either at the end of the sequence or immediately followed by a symbol of kind $j$ for some $j\in I(\tau)$ which is not the first of its kind. 2. (2) The successor of the last element of kind $i$ is not the first element of kind $j$ for any $i,j\in I(\tau)$ with $i<j$, where we fix some order on $I(\tau)$. Before coming to the main part of the proof we apply an invertible transformation $\Phi$ to $(\mathbb{Q}^{P(r)})^{*}$ to simplify the definitions of $\eta$ and $\mu$. The inverse of the transformation we want to apply sends a linear form $\varphi^{\prime}\in(\mathbb{Q}^{P(r)})^{*}$ to a linear form $\varphi$ defined by $\varphi(\tau)=\sum_{P\vdash I(\tau)}(-1)^{\ell(\tau)+|P|}\varphi^{\prime}(\tau^{P}).$ The transformation $\Phi$ defined in this way is clearly invertible. By a similar argument as in the proof of Lemma 3, we can show that the image $\eta^{\prime}_{\sigma}$ of $\eta_{\sigma}$ under $\Phi$ is defined in the same way as $\eta_{\sigma}$ but leaving out Condition 2 on the permutations. To study the action of $\Phi$ on $\mu$ we use the following lemma: ###### Lemma 5. Let $F$ be a function $F:P(n+m)\to\mathbb{Q}$ and define for any $\sigma\in P(n)$ functions $G_{\sigma},G^{\prime}_{\sigma}:P(m)\to\mathbb{Q}$ in terms of $F$ by $\displaystyle G_{\sigma}(\tau)$ $\displaystyle=\sum_{P\vdash I(\sigma)\sqcup I(\tau)}F((\sigma\sqcup\tau)^{P})$ $\displaystyle G^{\prime}_{\sigma}(\tau)$ $\displaystyle=\sum_{\begin{subarray}{c}P\vdash I(\sigma)\sqcup I(\tau)\\\ P\text{ separates }I(\tau)\end{subarray}}F((\sigma\sqcup\tau)^{P}),$ where the second sum just runs over set partitions $P$ such that each element of $I(\tau)$ belongs to a separate part. Then $G_{\sigma}(\tau)=\sum_{P\vdash I(\tau)}G^{\prime}_{\sigma}(\tau^{P}).$ ###### Proof. Given set partitions $P$ of $I(\tau)$ and $Q$ of $I(\sigma)\sqcup I(\tau^{P})$, with $Q$ separating $I(\tau^{P})$, we can alter $Q$ by replacing each element of $I(\tau^{P})$ by the elements in the corresponding part of $P$. Each set partition of $I(\sigma)\sqcup I(\tau)$ is obtained exactly once by this construction. ∎ Using this lemma and keeping track of the sign factors, we have that $\mu^{\prime}_{\sigma}(\tau)$ is $\mu^{\prime}_{\sigma}(\tau)=\sum_{\begin{subarray}{c}P\vdash I(\sigma)\sqcup I(\tau)\\\ P\text{ separates }I(\tau)\end{subarray}}(-1)^{\ell(\sigma)+\ell(\tau)+|P|}\frac{(2g-3+|P|)!}{\prod_{i\in P}(2(\sigma\sqcup\tau)^{P}_{i}+1)!!}.$ We can use the lemma again with the roles of $\sigma$ and $\tau$ interchanged to replace the generators of the span of $\mu^{\prime}_{\sigma}$ by $\mu^{\prime\prime}_{\sigma}$ with (4) $\mu^{\prime\prime}_{\sigma}(\tau):=\sum_{\begin{subarray}{c}P\vdash I(\sigma)\sqcup I(\tau)\\\ P\text{ separates }I(\tau)\\\ P\text{ separates }I(\sigma)\end{subarray}}(-1)^{\ell(\sigma)+\ell(\tau)+|P|}\frac{(2g-3+|P|)!}{\prod_{i\in P}(2(\sigma\sqcup\tau)^{P}_{i}+1)!!}.$ Therefore we have reduced the proof of the Rank Theorem to proving the following claim. ###### Claim. The $\mathbb{Q}$-subspaces of $(\mathbb{Q}^{P(r)})^{*}$ spanned by $\eta^{\prime}_{\sigma}$ and $\mu^{\prime\prime}_{\sigma}$ for $\sigma$ ranging over all partitions of $g-2-r$ of length at most $r+1$ are equal. ### 4.2. Further strategy of proof In order to prove the claim we will establish interpretations for $\eta^{\prime}_{\sigma}(\tau)$ and $\mu^{\prime\prime}_{\sigma}(\tau)$ as counts of symbols of different kinds satisfying some ordering constraints. This enables us to find nonzero constants $F(i)$ for each $i\in I(\sigma)$ independent of $\tau$ such that $\mu^{\prime\prime}_{\sigma}(\tau)=\sum_{P\vdash I(\sigma)}\prod_{i\in P}F(i)\frac{\eta^{\prime}_{\sigma^{P}}(\tau)}{(r+1-|P|)!},$ giving a triangular transformation. For the interpretations the notion of a _comb-like order_ plays an important role. We say that symbols $i_{1}\dotsc i_{2m+1}$ are in comb-like order if we have the relations $i_{1}<i_{3}<\dots<i_{2m+1}$ and $i_{2j}<i_{2j+1}$ for $j\in[m]$. This is illustrated in Figure 1. $i_{1}$$i_{2}$$i_{3}$$i_{4}$$i_{5}$$i_{2m-1}$$i_{2m}$$i_{2m+1}$ Figure 1. A comb-like order Note that the number of comb-like orderings of $2m+1$ symbols is $(2m+1)!/(2m+1)!!$. More generally the number $\frac{(2|\pi|+\ell(\pi))!}{\prod_{i\in I(\pi)}(2\pi_{i}+1)!!}$ corresponding to a partition $\pi$ counts the number of permutations of the $2|\pi|+\ell(\pi)$ symbols $\bigcup_{i\in I(\pi)}\\{i_{1},\dots,i_{2\pi_{i}+1}\\}$ such that symbols corresponding to the same part of $\pi$ appear in comb-like order. ### 4.3. Combing orders We obtain a first reinterpretation of $\eta^{\prime}_{\sigma}(\tau)$ by numbering the symbols of equal kind: ###### Interpretation A1. $\eta^{\prime}_{\sigma}(\tau)$ is the number of all permutations of symbols $i_{1},\dotsc,i_{\tau_{i}+1}$ for $i\in I(\tau)$ and $i_{1},\dotsc,i_{\lambda_{i}+1}$ for $i\in I(\lambda)$ such that for fixed $i\in I(\tau)\sqcup I(\lambda)$ the $i_{j}$ appear in order and for all $i\in I(\lambda)$ the symbol $i_{\lambda_{i}+1}$ is either at the end of the sequence or immediately followed by some $j_{k}$ for $j\in I(\tau)$ and $k\neq 1$. Since $\lambda$ has length $r+1$ and $|\tau|=r$, such a permutation gives a bijection between the $j_{k}$ for $j\in I(\tau)$ with $k\neq 1$ and all but one of the $i_{\lambda_{i}+1}$ for $i\in I(\lambda)$. After picking this bijection, we can remove the $i_{\lambda_{i}+1}$. ###### Interpretation A2. $\eta^{\prime}_{\sigma}(\tau)$ is the sum over bijections $\varphi:I(\lambda)\to\\{i_{j}\mid i\in I(\tau),j\neq 1\\}\sqcup\\{\text{End}\\}$ of the number of permutations of symbols $i_{1},\dotsc,i_{\tau_{i}+1}$ for $i\in I(\tau)$ and $i_{1},\dotsc,i_{\lambda_{i}}$ for $i\in I(\lambda)$ such that symbols of the same kind appear in order and all symbols $i_{j}$ for $i\in I(\lambda)$ appear before $\varphi(i)$ (this condition is empty if $\varphi(i)=\text{End}$). We can then add new symbols immediately following each $i_{\lambda_{i}}$ for $i\in I(\lambda)$ and reindex the $i_{j}$ for $i\in I(\tau)$ to create comb- like orderings. ###### Interpretation A3. $\eta^{\prime}_{\sigma}(\tau)$ is the sum over bijections $\varphi:I(\lambda)\to\\{i_{j}\mid i\in I(\tau),j\text{ even}\\}\sqcup\\{\text{End}\\}$ of the number of permutations of symbols $i_{1},\dotsc,i_{2\tau_{i}+1}$ for $i\in I(\tau)$, $i_{1},\dotsc,i_{\lambda_{i}}$ for $i\in I(\lambda)$, and an additional symbol End such that the $i_{j}$ for $i\in I(\tau)$ appear in comb- like order, the $i_{j}$ for $i\in I(\lambda)$ appear in order, and $i_{\lambda_{i}}$ for $i\in I(\lambda)$ is immediately followed by $\varphi(i)$. Recall that $\lambda$ is defined in terms of $\sigma$ by taking the numbers $2\sigma_{i}+1$ for each $i\in I(\sigma)$ and adding as many ones as needed to reach length $r+1$. There is only one symbol $i_{1}$ of kind $i$ for $i\in I(\lambda)\setminus I(\sigma)$ in Interpretation Interpretation A3 of $\eta^{\prime}_{\sigma}(\tau)$ and it must be immediately followed by $\varphi(i)$. For convenience set $(r+1-\ell(\sigma))!\cdot\eta^{\prime\prime}_{\sigma}:=\eta^{\prime}_{\sigma}$. Removing these symbols $i_{1}$ gives an interpretation of $\eta^{\prime\prime}_{\sigma}$. ###### Interpretation A4. $\eta^{\prime\prime}_{\sigma}(\tau)$ is a sum over all injections $\varphi:I(\sigma)\to\\{i_{j}\mid i\in I(\tau),j\text{ even}\\}\sqcup\\{\text{End}\\}$ of the number of permutations of symbols $i_{1},\dotsc,i_{2\tau_{i}+1}$ for $i\in I(\tau)$, $i_{1},\dotsc,i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$, and an additional symbol End such that the $i_{j}$ for $i\in I(\tau)$ appear in comb- like order, the $i_{j}$ for $i\in I(\sigma)$ appear in order, and $i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$ is immediately followed by $\varphi(i)$. We now switch to the interpretation of $\mu^{\prime\prime}_{\sigma}(\tau)$, which was defined in (4). The coefficient corresponding to a set partition $P$ can be interpreted as the number of permutations of symbols $i_{1},\dotsc,i_{2(\sigma\sqcup\tau)^{P}_{i}+1}$ for $i\in I((\sigma\sqcup\tau)^{P})$ and one additional symbol $\star$ such that all $i_{1},\dotsc,i_{2(\sigma\sqcup\tau)^{P}_{i}+1}$ for $i\in I((\sigma\sqcup\tau)^{P})$ appear in comb-like order. Because of the restrictions in the sum, the parts of $P$ are either singletons or contain exactly one element from each of $I(\sigma)$ and $I(\tau)$. This defines a function $\psi:I(\sigma)\to I(\tau)\sqcup\\{\star\\}$, injective when restricted to the preimage of $I(\tau)$. Interpreting the summands as counting comb-like orders and cutting combs into two pieces for each part of $P$ of size two gives the following: ###### Interpretation B1. $\mu^{\prime\prime}_{\sigma}(\tau)$ is the sum over functions $\psi:I(\sigma)\to I(\tau)\sqcup\\{\star\\}$ such that $\psi|_{\psi^{-1}(I(\tau))}$ is injective, of a sign of $(-1)^{|\psi^{-1}(I(\tau))|}$ times the number of permutations of symbols $i_{1},\dotsc,i_{2\tau_{i}+1}$ for $i\in I(\tau)$, $i_{1},\dotsc,i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$ and one additional symbol $\star$ such that all $i_{1},\dotsc,i_{2\tau_{i}+1}$ for $i\in I(\tau)$ and all $i_{1},\dotsc,i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$ appear in comb- like order and such that $i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$ with $\psi(i)\neq\star$ is immediately followed by $\psi(i)_{1}$. Now we split the set of such permutations depending on the symbols immediately following symbols $i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$. We notice that the signed sum exactly kills those permutations where some $i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$ is immediately followed by some $j_{1}$ for $j\in I(\tau)$ since if such a summand appears for some $\psi$ with $\psi(i)\neq j$ we must have $\psi(i)=\star$ and we find the same summand with opposite sign in the sum corresponding to the map $\psi^{\prime}$ defined by $\psi^{\prime}(i)=j$ and $\psi^{\prime}(k)=\psi(k)$ for $k\neq i$ and vice versa. ###### Interpretation B2. $\mu^{\prime\prime}_{\sigma}(\tau)$ is the number of permutations of symbols $i_{1},\dotsc,i_{2\tau_{i}+1}$ for $i\in I(\tau)$, $i_{1},\dotsc,i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$ and one additional symbol $\star$ such that all $i_{1},\dotsc,i_{2\tau_{i}+1}$ for $i\in I(\tau)$ and all $i_{1},\dotsc,i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$ appear in comb- like order and such that $i_{2\sigma_{i}+1}$ for $i\in I(\sigma)$ is not immediately followed by a symbol of the form $j_{1}$ with $j\in I(\tau)$. Interpretations Interpretation A4 and Interpretation B2 are very close. The differences between the two of them are that the $\sigma$-type symbols are in total order rather than comb-like order in Interpretation A4 and that the conditions on the elements immediately following the $i_{2\sigma_{i}+1}$ are different. We now break $\mu^{\prime\prime}_{\sigma}(\tau)$ into a sum over set partitions $P$ of $I(\sigma)$. Given a permutation of the symbols appearing in Interpretation Interpretation B2, define a function $\varphi:I(\sigma)\to\\{i_{j}\mid i\in I(\tau),j\text{ even}\\}\sqcup\\{\text{End}\\}$ recursively by $\varphi(i)=\left\\{\begin{aligned} j_{2k}&&\text{if }i_{2\sigma_{i}+1}\text{ for }i\in I(\sigma)\text{ is immediately followed by a symbol }\\\ &&\text{ of the form }j_{2k}\text{ or }j_{2k+1}\text{ with }j\in I(\tau),\\\ \text{End}&&\text{if }i_{2\sigma_{i}+1}\text{ for }i\in I(\sigma)\text{ is immediately followed by }\star\\\ &&\text{ or at the end of the sequence},\\\ \varphi(j)&&\text{if }i_{2\sigma_{i}+1}\text{ for }i\in I(\sigma)\text{ is immediately followed by a symbol }\\\ &&\text{ of the form }j_{k}\text{ with }j\in I(\sigma).\end{aligned}\right.$ Then let $P$ be the set partition of preimages under $\varphi$. We will identify the summand of $\mu^{\prime\prime}_{\sigma}(\tau)$ corresponding to such a set partition $P$ as $\eta^{\prime\prime}_{\sigma^{P}}(\tau)$ times a factor depending only on $\sigma$ and $P$. This factor is equal to $\prod_{i\in P}F(i),$ where $F(i)=\frac{(2\sigma^{P}_{i}+|i|+1)!}{\prod_{j\in i}(2\sigma_{j}+1)!!}.$ Here $F(i)$ should be interpreted as the number of permutations of $2\sigma_{j}+1$ symbols of kind $j$ for each $j\in i$ and one additional symbol End such that the symbols of each kind appear in comb-like order. If these permutations are interpreted as refinement data, then the permutations counted by the $P$-summand of $\mu^{\prime\prime}_{\sigma}(\tau)$ are the refinements by this data of the permutations counted by $\eta^{\prime\prime}_{\sigma^{P}}(\tau)$. Thus we have the identity $\mu^{\prime\prime}_{\sigma}=\sum_{P\vdash I(\sigma)}\prod_{i\in P}F(i)\eta^{\prime\prime}_{\sigma^{P}}.$ This is a triangular change of basis with nonzero entries on the diagonal, so the $\mu^{\prime\prime}$ and $\eta^{\prime\prime}$ span the same subspace in $(\mathbb{Q}^{P(r)})^{*}$. This completes the proof of the Rank Theorem. ## References * [1] C. Faber. A conjectural description of the tautological ring of the moduli space of curves. In Moduli of curves and abelian varieties, Aspects Math., E33, pages 109–129. Vieweg, Braunschweig, 1999. * [2] C. Faber and R. Pandharipande. Hodge integrals and Gromov-Witten theory. Invent. Math., 139(1):173–199, 2000. * [3] C. Faber and R. Pandharipande. Hodge integrals, partition matrices, and the $\lambda_{g}$ conjecture. Ann. of Math. (2), 157(1):97–124, 2003. * [4] E. Getzler and R. Pandharipande. Virasoro constraints and the Chern classes of the Hodge bundle. Nuclear Phys. B, 530(3):701–714, 1998. * [5] T. Graber and R. Pandharipande. Constructions of nontautological classes on moduli spaces of curves. Michigan Math. J., 51(1):93–109, 2003. * [6] R. Pandharipande. The kappa ring of the moduli of curves of compact type. Acta Math., 208(2):335–388, 2012. * [7] R. Pandharipande and A. Pixton. Relations in the tautological ring of the moduli space of curves. arXiv:1301.4561, Jan 2013.
arxiv-papers
2013-03-29T21:05:35
2024-09-04T02:49:43.615152
{ "license": "Creative Commons - Attribution Share-Alike - https://creativecommons.org/licenses/by-sa/4.0/", "authors": "Felix Janda and Aaron Pixton", "submitter": "Felix Janda", "url": "https://arxiv.org/abs/1304.0026" }
1304.0065
A Perturbed Sums of Squares Theorem for Polynomial Optimization and its Applications Masakazu Muramatsu111Department of Communication Engineering and Informatics, The University of Electro-Communications, 1-5-1 Chofugaoka, Chofu-shi, Tokyo, 182-8585 JAPAN. [email protected] , Hayato Waki222Institute of Mathematics for Industry, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, JAPAN. [email protected] and Levent Tunçel333 Department of Combinatorics and Optimization, Faculty of Mathematics, University of Waterloo, Waterloo, Ontario N2L 3G1 CANADA. [email protected] Abstract We consider a property of positive polynomials on a compact set with a small perturbation. When applied to a Polynomial Optimization Problem (POP), the property implies that the optimal value of the corresponding SemiDefinite Programming (SDP) relaxation with sufficiently large relaxation order is bounded from below by $(f^{\ast}-\epsilon)$ and from above by $f^{\ast}+\epsilon(n+1)$, where $f^{\ast}$ is the optimal value of the POP. We propose new SDP relaxations for POP based on modifications of existing sums- of-squares representation theorems. An advantage of our SDP relaxations is that in many cases they are of considerably smaller dimension than those originally proposed by Lasserre. We present some applications and the results of our computational experiments. ## 1 Introduction ### 1.1 Lasserre’s SDP relaxation for POP We consider the POP: $\mbox{ \rm minimize }\ f(x)\ \mbox{ \rm subject to }\ f_{i}(x)\geq 0\ (i=1,\ldots,m),$ (1) where $f$, $f_{1},\ldots,f_{m}:\mathbb{R}^{n}\rightarrow\mathbb{R}$ are polynomials. The feasible region is denoted by $K=\\{\,x\in\mathbb{R}^{n}\,:\,f_{j}(x)\geq 0\ (j=1,\ldots,m)\,\\}$. Then it is easy to see that the optimal value $f^{\ast}$ can be represented as $f^{\ast}=\sup\left\\{\,\rho\,:\,f(x)-\rho\geq 0\ (\forall x\in K)\,\right\\}.$ First, we briefly describe the framework of the SDP relaxation method for POP $(\ref{eq:POP0})$ proposed by Lasserre [17]. See also [25]. We denote the set of polynomials and sums of squares by $\mathbb{R}[x]$ and $\Sigma$, respectively. $\mathbb{R}[x]_{r}$ is the set of polynomials whose degree is less than or equal to $r$. We let $\Sigma_{r}=\Sigma\cap\mathbb{R}[x]_{2r}$. We define the quadratic module generated by $f_{1},\ldots,f_{m}$ as $M(f_{1},\ldots,f_{m})=\left\\{\,\sigma_{0}+\sum_{j=1}^{m}\sigma_{j}f_{j}\,:\,\sigma_{0},\ldots,\sigma_{m}\in\Sigma\,\right\\}.$ The truncated quadratic module whose degree is less than or equal to $2r$ is defined by $M_{r}(f_{1},\ldots,f_{m})=\left\\{\,\sigma_{0}+\sum_{i=1}^{m}\sigma_{j}f_{j}\,:\,\sigma_{0}\in\Sigma_{r},\sigma_{j}\in\Sigma_{r_{j}}(j=1,\ldots,m)\,\right\\},$ where $r_{j}=r-\lceil\deg f_{j}/2\rceil$ for $j=1,\ldots,m$. Replacing the condition that $f(x)-\rho$ is nonnegative by a relaxed condition that the polynomial is contained in $M_{r}(f_{1},\ldots,f_{m})$, we obtain the following SOS relaxation: $\rho_{r}=\sup\left\\{\,\rho\,:\,f(x)-\rho\in M_{r}(f_{1},\ldots,f_{m})\,\right\\}.$ (2) Lasserre[17] showed that $\rho_{r}\rightarrow f^{\ast}$ as $r\rightarrow\infty$ if $M(f_{1},\ldots,f_{m})$ is archimedean. See [22, 26] for a definition of archimedean. An easy way to ensure that $M(f_{1},\ldots,f_{m})$ is archimedean is to make sure that $M(f_{1},\ldots,f_{m})$ contains a representation of a ball of finite (but possibly very large) radius. In particular, we point out that when $M(f_{1},\ldots,f_{m})$ is archimedean, $K$ is compact. The problem $(\ref{eq:SOS1})$ can be encoded as an SDP problem. Note that we can express a sum of squares $\sigma\in\Sigma_{r}$ by using a positive semidefinite matrix $X\in\mathbb{S}^{s(r)}_{+}$ as $\sigma(x)=u_{r}(x)^{T}Xu_{r}(x)$, where $s(r)={{n+r}\choose{n}}$ and $u_{r}(x)$ is the monomial vector which contains all the monomials in $n$ variables up to and including degree $r$ with an appropriate order. By using this relation, the containment by $M_{r}(f_{1},\ldots,f_{m})$ constraints in $(\ref{eq:SOS1})$, i.e., $f-\rho=\sigma_{0}+\sum_{j=1}^{m}\sigma_{j}f_{j},$ can be transformed to linear equations involving semidefinite matrix variables corresponding to $\sigma_{0}$ and $\sigma_{j}$’s. Note that, in this paper, we neither assume that $K$ is compact nor that $M(f_{1},\ldots,f_{m})$ is archimedean. Still, the framework of Lasserre’s SDP relaxation described above can be applied to $(\ref{eq:POP0})$, although the good theoretical convergence property may be lost. ### 1.2 Problems in the SDP relaxation for POP Since POP is NP-hard, solving POP in practice is sometimes extremely difficult. The SDP relaxation method described above also has some difficulty. A major difficulty arises from the size of the SDP relaxation problem $(\ref{eq:SOS1})$. In fact, $(\ref{eq:SOS1})$ contains ${{n+2r}\choose{n}}$ variables and $s(r)\times s(r)$ matrix. When $n$ and/or $r$ get larger, solving $(\ref{eq:SOS1})$ can become just impossible. To overcome this difficulty, several techniques, using sparsity of polynomials, are proposed. See, e.g., [15, 19, 22, 23, 29]. Based on the fact that most of the practical POPs are sparse in some sense, these techniques exploit special sparsity structure of POPs to reduce the number of variables and the size of the matrix variable in the SDP $(\ref{eq:SOS1})$. Recent work in this direction, e.g., [6, 7] also exploit special structure of POPs to solve larger sized problems. Nie and Wang [24] proposes a use of regularization method for solving SDP relaxation problems instead of primal- dual interior-point methods. Another problem with the SDP relaxation is that $(\ref{eq:SOS1})$ is often ill-posed. In [11, 31, 33], strange behaviors of SDP solvers are reported. Among them is that an SDP solver returns an ‘optimal’ value of $(\ref{eq:SOS1})$ which is significantly different from the true optimal value without reporting any numerical errors. Even more strange is that the returned value by the SDP solver is nothing but the real optimal value of the POP $(\ref{eq:POP0})$. We refer to this as a ‘super-accurate’ property of the SDP relaxation for POP. ### 1.3 Contribution of this paper POP contains very hard problems as well as some easier ones. We would like an approach which will exploit the structure in the easier instances of POP. In the context of current paper the notion of “easiness” will be based on sums of squares certificate and sparsity. Based on Theorems 1, 2 and its variants, we propose new SDP relaxations. We call it Adaptive SOS relaxation in this paper. Adaptive SOS relaxations can be interpreted as relaxations of those originally proposed by Lasserre. As a result, the bounds generated by our approach cannot be superior to those generated by Lasserre’s approach for the same order relaxations. However, Adaptive SOS relaxations are of significantly smaller dimensions (compared to Lasserre’s SDP relaxations) and as the computational experiments in Section 3 indicate, we obtain very significant speed-up factors and we are able to solve larger instances and higher-order SDP relaxations. Moreover, in most cases, the amount of loss in the quality of bounds is small, even for the same order SDP relaxations. The rest of this paper is organized as follows. Section 2 gives our main results and Adaptive SOS relaxation based on Theorem 1. In Section 3, we present the results of some numerical experiments. We give a proof of Theorem 1 and some of extensions, and the related work to Theorem 1 in Section 4. ## 2 Adaptive SOS relaxation ### 2.1 Main results We assume that there exists an optimal solution $x^{\ast}$ of $(\ref{eq:POP0})$. Let $\displaystyle b$ $\displaystyle=$ $\displaystyle\max\left(1,\max\\{\,|x^{\ast}_{i}|\,:\,i=1,\ldots,n\,\\}\right)$ $\displaystyle B$ $\displaystyle=$ $\displaystyle[-b,b]^{n}.$ Obviously $x^{\ast}\in B$. We define: $\displaystyle\bar{K}$ $\displaystyle=$ $\displaystyle B\cap K$ $\displaystyle R_{j}$ $\displaystyle=$ $\displaystyle\max\left\\{\,|f_{j}(x)|\,:\,x\in B\,\right\\}\ (j=1,\ldots,m).$ Define also, for a positive integer $r$, $\displaystyle\psi_{r}(x)$ $\displaystyle=$ $\displaystyle-\sum_{j=1}^{m}f_{j}(x)\left(1-\frac{f_{j}(x)}{R_{j}}\right)^{2r},$ $\displaystyle\Theta_{r}(x)$ $\displaystyle=$ $\displaystyle 1+\sum_{i=1}^{n}x_{i}^{2r},$ $\displaystyle\Theta_{r,b}(x)$ $\displaystyle=$ $\displaystyle 1+\sum_{i=1}^{n}\left(\frac{x_{i}}{b}\right)^{2r}.$ We start with the following theorem. ###### Theorem 1 Suppose that for $\rho\in\mathbb{R}$, $f(x)-\rho>0$ for every $x\in\bar{K}$, i.e., $\rho$ is a lower bound of $f^{\ast}$. 1. i. Then there exists $\tilde{r}\in\mathbb{N}$ such that for all $r\geq\tilde{r}$, $f-\rho+\psi_{r}$ is positive over $B$. 2. ii. In addition, for every $\epsilon>0$, there exists a positive integer $\hat{r}$ such that, for every $r\geq\hat{r}$, $f-\rho+\epsilon\Theta_{r,b}+\psi_{\tilde{r}}\in\Sigma.$ Theorem 1 will be proved in Section 4 as a corollary of Theorem 5. We remark that $\hat{r}$ depends on $\rho$ and $\epsilon$, while $\tilde{r}$ depends on $\rho$, but not $\epsilon$. The implication of this theorem is twofold. First, it elucidates the super-accurate property of the SDP relaxation for POPs. Notice that by construction, $-\psi_{\tilde{r}}(x)\in M_{\bar{r}}(f_{1},\ldots,f_{m})$ where $\bar{r}=\tilde{r}\max_{j}(\deg(f_{j}))$. Now assume that in $(\ref{eq:SOS1})$, $r\geq\bar{r}$. Then, for any lower bound $\bar{\rho}$ of $f^{\ast}$, Theorem 1 means that $f-\bar{\rho}+\epsilon\Theta_{r,b}\in M_{r}(f_{1},\ldots,f_{m})$ for arbitrarily small $\epsilon>0$ and sufficiently large $r$. Let us discuss this in more details. Define $\Pi$ be the set of the polynomials such that abosolute value of each coefficient is less than or equal to $1$. Suppose that $\bar{\rho}$ is a “close” lower bound of $f^{\ast}$ such that the system $f-\bar{\rho}+\psi_{\tilde{r}}\in\Sigma$ is infeasible. Let us admit an error $\epsilon$ in the above system, i.e., consider $f-\bar{\rho}+\epsilon h+\psi_{\tilde{r}}\in\Sigma,\ h\in\Pi.$ (3) The system $(\ref{eq:h})$ restricts the amount of the infinity norm error in the equality condition of the SDP relaxation problem to be less than or equal to $\epsilon$. Since we can decompose $h=h_{+}-h_{-}$ where $h_{+},h_{-}\in\Sigma\cap\Pi$, now the system $(\ref{eq:h})$ is equivalent with: $f-\bar{\rho}+\epsilon h_{+}+\psi_{\tilde{r}}\in\Sigma,\ h_{+}\in\Pi\cap\Sigma.$ (4) This observation shows that $-h_{-}$ is not the direction of errors. Furthermore, because $\Theta_{r,b}\in\Pi\cap\Sigma$, the system $(\ref{eq:hplus})$ is feasible due to ii of Theorem 1. Therefore, if we admit an error $\epsilon$, the system $f-\bar{\rho}+\psi_{\tilde{r}}\in\Sigma$ is considered to be feasible, and $\bar{\rho}$ is recognized as a lower bound for $f^{\ast}$. As a result, we may obtain $f^{\ast}$ due to the numerical errors. On the other hand, we point out that when we do not admit an error, but are given a direction of error $h$ implicitly by the floating point arithmetic, it does not necessarily satisfy the left inclusion of $(\ref{eq:h})$. However, some numerical experiments show that this is true in most cases (e.g., [31]). The reason is not clear. Second, we can use the result to construct new sparse SDP relaxations for POP $(\ref{eq:POP0})$. Our SDP relaxation is weaker than Lasserre’s, but the size of our SDP relaxation can become smaller than Lasserre’s. As a result, for some large-scale and middle-scale POPs, our SDP relaxation can often obtain a lower bound, while Lasserre’s cannot. A naive idea is that we use $(\ref{eq:POP0})$ as is. Note that $-\psi_{\tilde{r}}(x)$ contains only monomials whose exponents are contained in $\bigcup_{j=1}^{m}\left(\mathcal{F}_{j}+\underbrace{\tilde{\mathcal{F}}_{j}+\cdots+\tilde{\mathcal{F}}_{j}}_{2\tilde{r}}\right),$ where $\mathcal{F}_{j}$ is the support of the polynomial $f_{j}$, i.e., the set of exponents of monomials with nonzero coefficients in $f_{j}$, and $\tilde{\mathcal{F}}_{j}=\mathcal{F}_{j}\cup\\{0\\}$. To state the idea more precisely, we introduce some notation. For a finite set $\mathcal{F}\subseteq\mathbb{N}^{n}$ and a positive integer $r$, we denote $r\mathcal{F}=\underbrace{\mathcal{F}+\cdots+\mathcal{F}}_{r}$ and $\Sigma(\mathcal{F})=\left\\{\,\sum_{k=1}^{q}g_{k}(x)^{2}\,:\,\mbox{supp}(g_{k})\subseteq\mathcal{F}\,\right\\},$ where $\mbox{supp}(g_{k})$ is the support of $g_{k}$. Note that $\Sigma(\mathcal{F})$ is the set of sums of squares of polynomials whose supports are contained in $\mathcal{F}$. Now, fix an admissible error $\epsilon>0$ and $\tilde{r}$ as in Theorem 1, and consider: $\hat{\rho}(\epsilon,\tilde{r},r)=\sup\left\\{\,\rho\,:\,f-\rho+\epsilon\Theta_{r,b}-\sum_{j=1}^{m}f_{j}\sigma_{j}=\sigma_{0},\sigma_{0}\in\Sigma_{r},\sigma_{j}\in\Sigma(\tilde{r}\tilde{\mathcal{F}}_{j})\,\right\\}$ (5) for some $r\geq\tilde{r}$. Due to Theorem 1, $(\ref{eq:sparse1})$ has a feasible solution for all sufficiently large $r$. ###### Theorem 2 For every $\epsilon>0$, there exist $\tilde{r},r\in\mathbb{N}$ such that $f^{*}-\epsilon\leq\hat{\rho}(\epsilon,\tilde{r},r)\leq f^{*}+\epsilon(n+1)$. Proof : We apply Theorem 1 to POP (1) with $\rho=f^{*}-\epsilon$. Then for any $\epsilon>0$, there exist $\hat{r},\tilde{r}\in\mathbb{N}$ such that for every $r\geq\hat{r}$, $f-(f^{*}-\epsilon)+\epsilon\Theta_{r,b}+\psi_{\tilde{r}}\in\Sigma$. Choose a positive integer $r\geq\hat{r}$ which satisfies $r\geq\max\\{\lceil\deg(f)/2\rceil,\lceil(\tilde{r}+1/2)\deg(f_{1})\rceil,\ldots,\lceil(\tilde{r}+1/2)\deg(f_{m})\rceil\\}.$ (6) Then there exists $\tilde{\sigma}_{0}\in\Sigma_{r}$ such that $f-(f^{*}-\epsilon)+\epsilon\Theta_{r,b}+\psi_{\tilde{r}}=\tilde{\sigma}_{0}$, because the degree of the polynomial in the left hand side is equal to $2r$. We denote $\tilde{\sigma}_{j}:=\left(1-f_{j}/R_{j}\right)^{2\tilde{r}}$ for all $j$. The triplet $(f^{*}-\epsilon,\tilde{\sigma}_{0},\tilde{\sigma}_{j})$ is feasible in (5) because $\left(1-f_{j}/R_{j}\right)^{2\tilde{r}}\in\Sigma(\tilde{r}\tilde{\mathcal{F}}_{j})$. Therefore, we have $f^{*}-\epsilon\leq\hat{\rho}(\epsilon,\tilde{r},r)$. We prove that $\hat{\rho}(\epsilon,\tilde{r},r)\leq f^{*}+\epsilon(n+1)$. We choose $r$ as in (6) and consider the following POP: $\tilde{f}:=\inf_{x\in\mathbb{R}^{n}}\left\\{f(x)+\epsilon\Theta_{r,b}(x):f_{1}(x)\geq 0,\ldots,f_{m}(x)\geq 0\right\\}.$ (7) Applying Lasserre’s SDP relaxation with relaxation order $r$ to (7), we obtain the following SOS relaxation problem: $\hat{\rho}(\epsilon,r):=\sup\left\\{\,\rho\,:\,f-\rho+\epsilon\Theta_{r,b}=\sigma_{0}+\sum_{j=1}^{m}f_{j}\sigma_{j},\sigma_{0}\in\Sigma_{r},\sigma_{j}\in\Sigma_{r_{j}}\,\right\\},$ (8) where $r_{j}:=r-\lceil\deg(f_{j})/2\rceil$ for $j=1,\ldots,m$. Then we have $\hat{\rho}(\epsilon,r)\geq\hat{\rho}(\epsilon,\tilde{r},r)$ because $\Sigma(\tilde{r}\tilde{\mathcal{F}}_{j})\subseteq\Sigma_{r_{j}}$ for all $j$. Indeed, it follows from (6) and the definition of $r_{j}$ that $r_{j}\geq\tilde{r}\deg(f_{j})$, and thus $\Sigma(\tilde{r}\tilde{\mathcal{F}}_{j})\subseteq\Sigma_{r_{j}}$. Every optimal solution $x^{*}$ of POP (1) is feasible for (7) and its objective value is $f^{*}+\Theta_{r,b}(x^{*})$. We have $f^{*}+\Theta_{r,b}(x^{*})\geq\hat{\rho}(\epsilon,r)$ because (8) is the relaxation problem of (7). In addition, it follows from $x^{*}\in B$ that $n+1\geq\Theta_{r,b}(x^{*})$, and thus $\hat{\rho}(\epsilon,\tilde{r},r)\leq\hat{\rho}(\epsilon,r)\leq f^{*}+\epsilon(n+1)$. $\Box$ Lasserre [17] proved the convergence of his SDP relaxation under the assumption that the quadratic module $M(f_{1},\ldots,f_{m})$ associated with POP (1) is archimedean. In contrast, Theorem 2 does not require such an assumption and ensures that we can obtain a sufficiently close approximation to the optimal value $f^{*}$ of POP (1) by solving (5). We delete the perturbed part $\epsilon\Theta_{r,b}(x)$ from the above sparse relaxation $(\ref{eq:sparse1})$ in our computations, because it may be implicitly introduced in the computation by using floating-point arithmetic. In the above sparse relaxation $(\ref{eq:sparse1})$, we have to consider only those positive semidefinite matrices whose rows and columns correspond to $\tilde{r}\tilde{\mathcal{F}}_{j}$ for $f_{j}$. In contrast, in Lasserre’s SDP relaxation, we have to consider the whole set of monomials whose degree is less than or equal to $r_{j}$ for each polynomial $f_{j}$. Only $\sigma_{0}$ is large; it contains the set of all monomials whose degree is less than or equal to $r$. However, since the other polynomials do not contain most of the monomials of $\sigma_{0}$, such monomials can safely be eliminated to reduce the size of $\sigma_{0}$ (as in [15]). As a result, our sparse relaxation reduces the size of the matrix significantly if each $|\mathcal{F}_{j}|$ is small enough. We note that in many of the practical cases, this in fact is true. We will call this new relaxation Adaptive SOS relaxation in the following. ### 2.2 Proposed approach: Adaptive SOS relaxation An SOS relaxation (5) for POP (1) has been introduced. However, this relaxation has some weak points. In particular, we do not know the value $\tilde{r}$ in advance. Also, introducing small perturbation $\epsilon$ intentionally may lead numerical difficulty in solving SDP. To overcome these difficulties, we ignore the perturbation part $\epsilon\Theta_{r,b}(x)$ in (5) because the perturbation part may be implicitly introduced by floating point arithmetic. In addition, we choose a positive integer $r$ and find $\tilde{r}$ by increasing $r$. Furthermore, we replace $\sigma_{j}\in\Sigma(\tilde{r}\tilde{\mathcal{F}}_{j})$ by $\sigma_{j}\in\Sigma(\tilde{r}_{j}\tilde{\mathcal{F}}_{j})$ in (5), where $\tilde{r}_{j}$ is defined for a given integer $r$ as $\tilde{r}_{j}=\left\lfloor\frac{r}{\deg(f_{j})}-\frac{1}{2}\right\rfloor,$ to have $\deg(f_{j}\sigma_{j})\leq 2r$ for all $j=1,\ldots,m$. Then, we obtain the following SOS problem: $\rho^{*}(r):=\sup_{\rho\in\mathbb{R},\sigma_{0}\in\Sigma_{r},\sigma_{j}\in\Sigma(\tilde{r}_{j}\tilde{\mathcal{F}}_{j})}\left\\{\rho:f-\rho-\sum_{j=1}^{m}f_{j}\sigma_{j}=\sigma_{0}\right\\}.$ (9) We call (9) Adaptive SOS relaxation for POP (1). Note that we try to use numerical errors in a positive way; even though Adaptive SOS relaxation has a different optimal value from that of POP, we may hope that the contaminated computation produces the correct optimal value of POP. In general, we have $\Sigma(\tilde{r}_{j}\tilde{\mathcal{F}}_{j})\subseteq\Sigma_{r_{j}}$ because of $\tilde{r}_{j}\deg(f_{j})\leq r_{j}$. Recall that $r_{j}=r-\lceil\deg(f_{j})/2\rceil$ and is used in Lasserre’s SDP relaxation (2). This implies that Adaptive SOS relaxation is no stronger than Lasserre’s SDP relaxation, i.e., the optimal value $\rho^{*}(r)$ is lower than or equal to the optimal value $\rho(r)$ of Lasserre’s SDP relaxation for POP (1) for all $r$. We further remark that $\rho^{*}(r)$ may not converge to the optimal value $f^{*}$ of POP (1). However, we can hope for the convergence of $\rho^{*}(r)$ to $f^{*}$ from Theorem 1 and some numerical results in [11, 31, 33]. In the rest of this subsection, we provide a property of Adaptive SOS relaxation for the quadratic optimization problem $\inf_{x\in\mathbb{R}^{n}}\left\\{f(x):=x^{T}P_{0}x+c_{0}^{T}x:f_{j}(x):=x^{T}P_{j}x+c_{j}^{T}x+\gamma_{j}\geq 0\ (j=1,\ldots,m)\right\\}.$ (10) The proposition implies that we do not need to compute $\rho^{*}(r)$ for even $r$. ###### Proposition 3 Assume that the degree $\deg(f_{j})=2$ for all $j=1,\ldots,m$ for QOP (10). Then, the optimal value $\rho^{*}(r)$ of Adaptive SOS relaxation is equal to $\rho^{*}(r-1)$ if $r$ is even. Proof : It follows from definition of $\tilde{r}_{j}$ that we have $\tilde{r}_{j}=\left\lfloor\frac{r-1}{2}\right\rfloor=\left\\{\begin{array}[]{cl}\frac{r-1}{2}&\mbox{if }r\mbox{ is odd},\\\ \frac{r}{2}-1&\mbox{if }r\mbox{ is even}.\end{array}\right.$ We assume that $r$ is even and give Adaptive SOS relaxation problems with relaxation order $r$ and $r-1$: $\displaystyle\rho^{*}(r)$ $\displaystyle=$ $\displaystyle\sup\left\\{\rho:\begin{array}[]{l}f-\rho-\displaystyle\sum_{j=1}^{m}f_{j}\sigma_{j}=\sigma_{0},\rho\in\mathbb{R},\sigma_{0}\in\Sigma_{r},\\\ \sigma_{j}\in\Sigma\left(\displaystyle\left(\frac{r}{2}-1\right)\tilde{\mathcal{F}}_{j}\right)\end{array}\right\\},$ (13) $\displaystyle\rho^{*}(r-1)$ $\displaystyle=$ $\displaystyle\sup\left\\{\rho:\begin{array}[]{l}f-\rho-\displaystyle\sum_{j=1}^{m}f_{j}\sigma_{j}=\sigma_{0},\rho\in\mathbb{R},\sigma_{0}\in\Sigma_{r-1},\\\ \sigma_{j}\in\Sigma\left(\left(\displaystyle\frac{r}{2}-1\right)\tilde{\mathcal{F}}_{j}\right)\end{array}\right\\}.$ (16) We have $\rho^{*}(r)\geq\rho^{*}(r-1)$ for (13) and (16). All feasible solutions $(\rho,\sigma_{0},\sigma_{j})$ of (13) satisfy the following identity: $f_{0}-\rho=\sigma_{0}+\sum_{j=1}^{m}\sigma_{j}f_{j}.$ Since $r$ is even, the degrees of $\sum_{j=1}^{m}\sigma_{j}(x)f_{j}(x)$ and $f_{0}(x)-\rho$ are less than or equal to $2r-2$ and 2 respectively, and thus, the degree of $\sigma_{0}$ is less than or equal to $2r-2$. Indeed, we can write $\sigma_{0}(x)=\sum_{k=1}^{\ell}\left(g_{k}(x)+h_{k}(x)\right)^{2}$, where $\deg(g_{k})\leq r-1$ and $h_{k}$ is a homogenous polynomial with degree $r$. Then we obtain $0=\sum_{k=1}^{\ell}h_{k}^{2}(x)$, which implies $h_{k}=0$ for all $k=1,\ldots,\ell$. Therefore, all feasible solutions $(\rho,\sigma_{0},\sigma_{j})$ in SDP relaxation problem (13) are also feasible in SDP relaxation problem (16), and we have $\rho^{*}(r)=\rho^{*}(r-1)$ if $r$ is even. $\Box$ ## 3 Numerical Experiments In this section, we compare Adaptive SOS relaxation with Lasserre’s SDP relaxation and the sparse SDP relaxation using correlative sparsity proposed in [29]. To this end, we perform some numerical experiments. We observe from the results of our computational experiments that (i) although Adaptive SOS relaxation is often strictly weaker than Lasserre’s, i.e., the value obtained by Adaptive SOS relaxation is less than Lasserre’s, the difference is small in many cases, (ii) Adaptive SOS relaxation solves at least 10 times faster than Lasserre’s in middle to large scale problems. Therefore, we conclude that Adaptive SOS relaxation can be more effective than Lasserre’s for large- and middle-scale POPs. We will also observe a similar relationship against the sparse relaxation in [29]; Adaptive SOS relaxation is weaker but much faster than the sparse one. We use a computer with Intel (R) Xeon (R) 2.40 GHz cpus and 24GB memory, and MATLAB R2010a. To construct Lasserre’s [17], sparse [29] and Adaptive SOS problems, we use SparsePOP 2.99 [30]. To solve the resulting SDP relaxation problems, we use SeDuMi 1.3 [27] and SDPT3 4.0 [28] with the default parameters. The default tolerances for stopping criterion of SeDuMi and SDPT3 are 1.0e-9 and 1.0e-8, respectively. To determine whether the optimal value of an SDP relaxation problem is the exact optimal value of a given POP or not, we use the following two criteria $\epsilon_{\mbox{obj}}$ and $\epsilon_{\mbox{feas}}$: Let $\hat{x}$ be a candidate of an optimal solution of the POP obtained from the SDP relaxations. We apply a projection of the dual solution of the SDP relaxation problem onto $\mathbb{R}^{n}$ for obtaining $\hat{x}$ in this section. See [29] for the details. We define: $\displaystyle\epsilon_{\mbox{obj}}$ $\displaystyle:=$ $\displaystyle\frac{|\mbox{the optimal value of the SDP relaxation}-f(\hat{x})|}{\max\\{1,|f(\hat{x})|\\}},$ $\displaystyle\epsilon_{\mbox{feas}}$ $\displaystyle:=$ $\displaystyle\min_{k=1,\ldots,m}\\{f_{k}(\hat{x})\\}.$ If $\epsilon_{\mbox{feas}}\geq 0$, then $\hat{x}$ is feasible for the POP. In addition, if $\epsilon_{\mbox{obj}}=0$, then $\hat{x}$ is an optimal solution of the POP and $f(\hat{x})$ is the optimal value of the POP. We introduce the following value to indicate the closeness between the obtained values of Lasserre’s, sparse and Adaptive SOS relaxations. $\mbox{Ratio}:=\frac{(\mbox{obj. val. of Lasserre's or sparse SDP relax. })}{(\mbox{obj. val. of Adaptive SOS relax.})}=\frac{\rho^{*}_{r}}{\rho^{*}(r)}.$ (17) If the signs of both optimal values are the same and Ratio is sufficiently close to 1, then the optimal value of Adaptive SOS relaxation is close to the optimal value of Lasserre’s and sparse SDP relaxations. In general, this value is meaningless for measuring the closeness if those signs are different or either of values is zero. Fortunately, those values are not zero and those signs are the same in all numerical experiments in this section. To reduce the size of the resulting SDP relaxation problems, SparsePOP has functions based on the methods proposed in [15, 34]. These methods are closely related to a facial reduction algorithm proposed by Borwein and Wolkowicz [1, 2], and thus we can expect the numerical stability of the primal-dual interior-point methods for the SDP relaxations may be improved. In this section, except for Subsection 3.1, we apply the method proposed in [34]. For POPs which have lower and upper bounds on variables, we can strengthen the SDP relaxations by adding valid inequalities based on these bound constraints. In this section, we add them as in [29]. See Subsection 5.5 in [29] for the details. Table 1 shows the notation used in the description of numerical experiments in the following subsections. Table 1: Notation iter. | the number of iterations in SeDuMi and SDPT3 ---|--- rowA, colA | the size of coefficient matrix $A$ in the SeDuMi input format nnzA | the number of nonzero elements in coefficient matrix $A$ in the SeDuMi input format SDPobj | the objective value obtained by SeDuMi for the resulting SDP relaxation problem POPobj | the value of $f$ at a solution $\hat{x}$ retrieved by SparsePOP #solved | the number of the POPs which are solved by SDP relaxation in 30 problems. If both $\epsilon_{\mbox{obj}}$ and $\epsilon_{\mbox{feas}}$ are smaller than 1.0e-7, we regard that the SDP relaxation attains the optimal value of the POP. minRatio | minimum value of Ratio defined in (17) in 30 problems aveRatio | average of Ratio defined in (17) in 30 problems maxRatio | maximum value of Ratio defined in (17) in 30 problems $\sec$ | cpu time consumed by SeDuMi or SDPT3 in seconds min.t | minimum cpu time consumed by SeDuMi or SDPT3 in seconds among 30 resulting SDP relaxations ave.t | average cpu time consumed by SeDuMi or SDPT3 in seconds among 30 resulting SDP relaxations max.t | maximum cpu time consumed by SeDuMi or SDPT3 in seconds among 30 resulting SDP relaxations ### 3.1 Numerical results for POP whose quadratic module is non-archimedean In this subsection, we give the following POP and apply Adaptive SOS relaxation: $\inf_{x,y\in\mathbb{R}}\left\\{-x-y:\begin{array}[]{l}f_{1}(x,y):=x-0.5\geq 0,\\\ f_{2}(x,y):=y-0.5\geq 0,\\\ f_{3}(x,y):=0.5-xy\geq 0\end{array}\right\\}.$ (18) The optimal value is $-1.5$ and the solutions are $(0.5,1)$ and $(1,0.5)$. It was proved in [26, 33] that the quadratic module associated with POP (18) is non-archimedean and that all the resulting SDP relaxation problems are weakly infeasible. However, the convergence of computed values of Lasserre’s SDP relaxation for POP (18) was observed in [33]. In [33], it was shown that Lasserre’s SDP relaxation $(\ref{eq:SOS1})$ for $(\ref{prestel-delzell})$ is weakly infeasible. Since Adaptive SOS relaxation for $(\ref{prestel-delzell})$ has less monomials for representing $\sigma_{j}$’s than that of Lasserre’s, the resulting SDP relaxation problems are necessarily infeasible. However, we expect from Thorem 2 that Adaptive SOS relaxation attains the optimal value $-1.5$. Table 2 provides numerical results for Adaptive SOS relaxation based on $(\ref{sosProb})$. In fact, we observe from Table 2 that $\rho^{\ast}(r)$ obtained by SeDuMi is equal to $-1.5$ at $r=7,8,9,10$. By SDPT3, we observe similar results. Table 2: The approximate optimal value, cpu time, the number of iterations by SeDuMi and SDPT3 $r$ | Software | iter. | SDPobj | [$\sec$] ---|---|---|---|--- 1 | SeDuMi | 46 | -5.9100801e+07 | 0.31 | SDPT3 | 37 | -1.8924840e+06 | 0.57 2 | SeDuMi | 38 | -6.8951407e+02 | 0.29 | SDPT3 | 72 | -1.1676106e+04 | 1.28 3 | SeDuMi | 32 | -4.2408507e+01 | 0.22 | SDPT3 | 77 | -2.0928888e+00 | 1.43 4 | SeDuMi | 35 | -1.2522887e+01 | 0.30 | SDPT3 | 76 | -1.8195861e+00 | 1.74 5 | SeDuMi | 32 | -3.5032311e+00 | 0.39 | SDPT3 | 86 | -1.6015287e+00 | 2.65 6 | SeDuMi | 33 | -1.8717460e+00 | 0.48 | SDPT3 | 86 | -1.5025613e+00 | 3.43 7 | SeDuMi | 17 | -1.5000064e+00 | 0.47 | SDPT3 | 21 | -1.5000022e+00 | 1.18 8 | SeDuMi | 16 | -1.5000030e+00 | 0.58 | SDPT3 | 25 | -1.5000001e+00 | 2.03 9 | SeDuMi | 15 | -1.5000023e+00 | 0.75 | SDPT3 | 21 | -1.4999912e+00 | 1.95 10 | SeDuMi | 15 | -1.5000015e+00 | 0.99 | SDPT3 | 17 | -1.5003641e+00 | 1.89 ### 3.2 The difference between Lasserre’s and Adaptive SOS relaxations In this subsection, we show a POP where Adaptive SOS relaxation converges to the optimal value strictly slower than Lasserre’s, practically. This POP is available at [8], whose name is “st_e08.gms”. $\inf_{x,y\in\mathbb{R}}\left\\{2x+y:\begin{array}[]{ll}f_{1}(x,y):=xy-1/16\geq 0,&f_{2}(x,y):=x^{2}+y^{2}-1/4\geq 0,\\\ f_{3}(x,y):=x\geq 0,&f_{4}(x,y):=1-x\geq 0,\\\ f_{5}(x,y):=y\geq 0,&f_{6}(x,y):=1-y\geq 0.\end{array}\right\\}.$ (19) The optimal value is $(3\sqrt{6}-\sqrt{2})/8\approx 0.741781958247055$ and solution is $(x^{*},y^{*})=((\sqrt{6}-\sqrt{2})/8,(\sqrt{6}+\sqrt{2})/8)$. Table 3: Numerical results on SDP relaxation problems in Subsection 3.2 by SeDuMi and SDPT3 | Lasserre | Adaptive SOS ---|---|--- $r$ | Software | (SDPobj, POPobj$|$ $\epsilon_{\mbox{obj}},\epsilon_{\mbox{feas}}$ $|$ [$\sec$]) | (SDPobj, POPobj$|$ $\epsilon_{\mbox{obj}},\epsilon_{\mbox{feas}}$ $|$ [$\sec$]) 1 | SeDuMi | (0.00000e+00, 0.00000e+00$|$ 0.0e+00, -1.0e+00$|$ 0.02) | (0.00000e+00, 0.00000e+00$|$ 0.0e+00, -1.0e+00$|$ 0.02 ) | SDPT3 | (-1.16657e-09, 5.89142e-10$|$ 1.8e-09, -1.0e+00$|$ 0.14) | (-1.16657e-09, 5.89142e-10$|$ 1.8e-09, -1.0e+00$|$ 0.06) 2 | SeDuMi | (3.12500e-01, 3.12500e-01$|$ -9.5e-10, -8.4e-01$|$ 0.09) | (2.69356e-01, 2.69356e-01$|$ -1.7e-10, -9.3e-01$|$ 0.09) | SDPT3 | (3.12500e-01, 3.12500e-01$|$ 2.0e-09 , -8.4e-01$|$ 0.22) | (2.69356e-01, 2.69356e-01$|$ 1.1e-09, -9.3e-01$|$ 0.21) 3 | SeDuMi | (7.41782e-01, 7.41782e-01$|$ -2.0e-11, -1.1e-09$|$ 0.15) | (3.06312e-01, 3.06312e-01$|$ -1.1e-09, -8.3e-01$|$ 0.13) | SDPT3 | (7.41782e-01, 7.41782e-01$|$ 2.0e-08, 0.0e+00$|$ 0.26) | (3.06312e-01, 3.06312e-01$|$ 4.6e-09, -8.3e-01$|$ 0.25) 4 | SeDuMi | (7.41782e-01, 7.41782e-01$|$ 1.1e-10, -1.5e-09$|$ 0.15) | (7.29855e-01, 7.29855e-01$|$ -1.2e-07, -4.9e-02$|$ 0.24) | SDPT3 | (7.41782e-01, 7.41782e-01$|$ 2.8e-09, 0.0e+00$|$ 0.34) | (7.29855e-01, 7.29855e-01$|$ 2.5e-08, -4.9e-02$|$ 0.36) 5 | SeDuMi | (7.41782e-01, 7.41782e-01$|$ 8.3e-11, -4.5e-10$|$ 0.19) | (7.36195e-01, 7.36194e-01$|$ -9.5e-07, -4.2e-02$|$ 0.33) | SDPT3 | (7.41782e-01, 7.41782e-01$|$ -6.3e-10, 0.0e+00$|$ 0.72) | (7.36195e-01, 7.36195e-01$|$ 5.3e-08, -4.2e-02$|$ 0.50) 6 | SeDuMi | (7.41782e-01, 7.41782e-01$|$ 2.3e-11, -6.1e-11$|$ 0.27) | (7.41782e-01, 7.41782e-01$|$ -1.0e-09, -6.6e-09$|$ 0.20) | SDPT3 | (7.41782e-01, 7.41782e-01$|$ 3.4e-10, 0.0e+00$|$ 1.02) | (7.41782e-01, 7.41782e-01$|$ -4.7e-11, 0.0e+00$|$ 0.98) Table 3 show the numerical results of SDP relaxations for POP (19) by SeDuMi and SDPT3. We observe that Lasserre’s SDP relaxation attains the optimal value of (19) by relaxation order $r=3$, while Adaptive SOS relaxation attains it only at the relaxation order by $r=6$. ### 3.3 Numerical results for detecting the copositivity The symmetric matrix $A$ is said to be copositive if $x^{T}Ax\geq 0$ for all $x\in\mathbb{R}^{n}_{+}$. We can formulate the problem for detecting whether a given matrix is copositive, as follows: $\inf_{x\in\mathbb{R}^{n}}\left\\{x^{T}Ax:f_{i}(x):=x_{i}\geq 0\ (i=1,\ldots,n),f_{n+1}(x):=1-\sum_{i=1}^{n}x_{i}=0,\right\\}.$ (20) If the optimal value of this problem is nonnegative, then $A$ is copositive. Table 4: Information on SDP relaxations problems in Subsection 3.3 by SeDuMi and SDPT3 | Lasserre | Adaptive SOS | ---|---|---|--- $n$ | Software | (#solved $|$ min.t, ave.t, max.t) | (#solved $|$ min.t, ave.t, max.t) | (minR, aveR, maxR) 5 | SeDuMi | (30 $|$ 0.14 0.18 0.50) | (30 $|$ 0.12 0.16 0.20) | (1.0, 1.0, 1.0) | SDPT3 | (30 $|$ 0.40 0.44 0.85) | (30 $|$ 0.34 0.42 0.53) | (1.0, 1.0, 1.0) 10 | SeDuMi | (29 $|$ 0.36 0.42 0.50) | (29 $|$ 0.23 0.31 0.42) | (1.0, 1.0, 1.0) | SDPT3 | (29 $|$ 0.73 1.00 1.48) | (30 $|$ 0.66 0.88 1.23) | (1.0, 1.0, 1.0) 15 | SeDuMi | (30 $|$ 1.59 1.99 2.52) | (30 $|$ 0.75 0.99 1.31) | (1.0, 1.0, 1.0) | SDPT3 | (29 $|$ 2.91 3.40 4.73) | (23 $|$ 1.58 2.04 2.80) | (1.0, 1.0, 1.0) 20 | SeDuMi | (30 $|$ 10.22 14.06 19.98) | (30 $|$ 4.47 6.02 7.72) | (1.0, 1.0, 1.0) | SDPT3 | (26 $|$ 11.40 16.23 19.73) | (1 $|$ 6.65 8.64 11.32) | (1.0, 1.0, 1.0) 25 | SeDuMi | (29 $|$ 215.94 263.88 336.96) | (29 $|$ 49.69 66.63 84.07) | (1.0, 1.0, 1.0) | SDPT3 | (20 $|$ 51.53 64.31 77.35) | (4 $|$ 26.91 36.06 44.74) | (1.0, 1.0, 1.0) 30 | SeDuMi | (27 $|$ 1970.59 2322.30 2930.30) | (28 $|$ 1031.91 1198.05 1527.01) | (1.0, 1.0, 1.0) | SDPT3 | (0 $|$ 136.59 401.23 1184.76) | (0 $|$ 92.96 165.22 295.23) | (0.4, 1.0, 1.6) In this experiment, we solve 30 problems generated randomly. In particular, the coefficients of all diagonal of $A$ are set to be $\sqrt{n}/2$ and the other coefficients are chosen from [-1, 1] uniformly. In addition, since the positive semidefiniteness implies the copositivity, we chose the matrices $A$ which are not positive semidefinite. We apply Lasserre’s and Adaptive SOS relaxations with relaxation order $r=2$. Table 4 shows the numerical results by SeDuMi and SDPT3 for (20), respectively. We observe the following. * • SDPT3 fails to solve almost all problems (20), while SeDuMi solves them for $n=20,25,30$. In particular, Adaptive SOS relaxations return the optimal values of the original problems although it is no stronger than Lasserre’s theoretically. * • SeDuMi solves Adaptive SOS relaxation problems faster than Lasserre’s because the sizes of Adaptive SOS relaxation problems are smaller than those of Lasserre’s. * • SDPT3 cannot solve any problems with $n=30$ by Lasserre’s and Adaptive SOS relaxation although it terminates faster than SeDuMi. In particular, for almost all SDP relaxation problems, SDPT3 returns the message “stop: progress is bad” or “stop: progress is slow” and terminates. This means that it is difficult for SDPT3 to solve those SDP relaxation problems numerically. ### 3.4 Numerical results for BoxQP In this subsection, we solve BoxQP: $\inf_{x\in\mathbb{R}^{n}}\left\\{x^{T}Qx+c^{T}x:0\leq x_{i}\leq 1\ (i=1,\ldots,n)\right\\},$ (21) where each element in $Q\in\mathbb{S}^{n}$ and $c\in\mathbb{R}^{n}$ is chosen from [-50, 50] uniformly. In particular, we vary the number $n$ of the variables in (21) and the density of $Q,c$. In this subsection, we compare Adaptive SOS relaxation based on Theorem 5 with sparse SDP relaxation [29] instead of Lasserre’s. Indeed, when the density of $Q$ is small, the BoxQP has sparse structure, and thus sparse SDP relaxation is more effective than Lasserre’s. Table 5: Information on SDP relaxation problems in Subsection 3.4 with density 0.2 by SeDuMi and SDPT3 | Sparse | Adaptive SOS | ---|---|---|--- $n$ | Software | (#solved $|$ min.t, ave.t, max.t) | (#solved $|$ min.t, ave.t, max.t) | (minR, aveR, maxR) 5 | SeDuMi | (23 $|$0.15, 0.24, 0.48) | (23 $|$ 0.14, 0.23, 0.52) | (0.00072, 12.34638, 342.39518) | SDPT3 | (23 $|$0.20, 0.37, 2.48) | (22 $|$ 0.19, 0.26, 0.34) | (0.00072, 0.97463, 1.24265) 10 | SeDuMi | (13 $|$0.33, 0.55, 0.70) | (12 $|$ 0.28, 0.40, 0.53) | (0.97227, 0.99609, 1.00000) | SDPT3 | (12 $|$0.28, 0.51, 0.62) | (12 $|$ 0.22, 0.29, 0.39) | (0.97227, 0.99609, 1.00000) 15 | SeDuMi | (14 $|$0.57, 0.95, 1.68) | ( 3 $|$ 0.42, 0.63, 0.85) | (0.96590, 0.99172, 1.00000) | SDPT3 | (14 $|$0.54, 0.93, 1.22) | ( 3 $|$ 0.43, 0.57, 0.76) | (0.96590, 0.99172, 1.00000) 20 | SeDuMi | (11 $|$1.40, 2.57, 5.32) | ( 0 $|$ 0.80, 0.97, 1.27) | (0.94812, 0.98422, 0.99978) | SDPT3 | (10 $|$1.41, 2.31, 3.55) | ( 0 $|$ 0.55, 0.69, 1.01) | (0.94812, 0.98422, 0.99978) 25 | SeDuMi | ( 7 $|$2.57, 5.15, 10.03) | ( 0 $|$ 0.95, 1.09, 1.42) | (0.94333, 0.97591, 0.99923) | SDPT3 | ( 6 $|$4.60, 7.24, 12.46) | ( 0 $|$ 0.59, 0.85, 1.31) | (0.94333, 0.97591, 0.99923) 30 | SeDuMi | (12 $|$3.43, 15.60, 26.86) | ( 0 $|$ 1.27, 1.51, 2.02) | (0.93773, 0.97542, 0.99843) | SDPT3 | (10 $|$8.02, 22.87, 38.42) | ( 0 $|$ 0.94, 1.33, 1.67) | (0.93773, 0.97542, 0.99843) 35 | SeDuMi | (12 $|$26.57, 67.79, 143.06) | ( 0 $|$ 1.77, 2.15, 3.33) | (0.93271, 0.97236, 0.99648) | SDPT3 | ( 9 $|$44.14, 80.48, 135.30) | ( 0 $|$ 1.06, 1.83, 2.63) | (0.93271, 0.97236, 0.99648) 40 | SeDuMi | Not solved | ( 0 $|$ 2.47, 2.89, 3.57) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$ 2.13, 3.13, 3.87) | (–, –, –) 45 | SeDuMi | Not solved | ( 0 $|$ 3.58, 4.17, 5.51) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$ 4.12, 5.09, 6.35) | (–, –, –) 50 | SeDuMi | Not solved | ( 0 $|$ 5.30, 7.02, 9.48) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$ 5.19, 6.83, 8.34) | (–, –, –) 55 | SeDuMi | Not solved | ( 0 $|$ 8.75, 10.43, 12.23) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$ 8.31, 10.77, 13.60) | (–, –, –) 60 | SeDuMi | Not solved | ( 0 $|$ 12.21, 15.16, 19.59) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$ 12.62, 16.57, 22.44) | (–, –, –) Table 6: Information on SDP relaxation problems in Subsection 3.4 with density 0.4 by SeDuMi and SDPT3 | Sparse | Adaptive SOS | ---|---|---|--- $n$ | Software | (#solved $|$ min.t, ave.t, max.t) | (#solved $|$ min.t, ave.t, max.t) | (minR, aveR, maxR) 5 | SeDuMi | (24 $|$0.14, 0.19, 0.28) | (22 $|$ 0.13, 0.17, 0.27) | (0.98678, 0.99849, 1.00000) | SDPT3 | (23 $|$0.23, 0.27, 0.35) | (22 $|$ 0.17, 0.23, 0.34) | (0.98678, 0.99849, 1.00000 ) 10 | SeDuMi | (19 $|$0.28, 0.49, 0.77) | ( 9 $|$ 0.25, 0.35, 0.46) | (0.95400, 0.98958, 1.00000) | SDPT3 | (18 $|$0.32, 0.53, 0.86) | ( 7 $|$ 0.26, 0.33, 0.52) | (0.95400, 0.98958, 1.00000) 15 | SeDuMi | (13 $|$0.76, 1.21, 2.50) | ( 3 $|$ 0.46, 0.56, 0.65) | (0.95219, 0.98580, 1.00000) | SDPT3 | (13 $|$0.84, 1.32, 2.26) | ( 3 $|$ 0.37, 0.54, 0.81) | (0.95219, 0.98580, 1.00000) 20 | SeDuMi | (11 $|$2.10, 3.51, 5.45) | ( 0 $|$ 0.70, 0.79, 0.97) | (0.94457, 0.97953, 0.99933) | SDPT3 | (11 $|$3.22, 5.61, 8.30) | ( 0 $|$ 0.50, 0.73, 1.01) | (0.94457, 0.97953, 0.99933) 25 | SeDuMi | (11 $|$6.65, 13.88, 24.32) | ( 0 $|$ 1.02, 1.13, 1.28) | (0.92917, 0.96999, 0.99596) | SDPT3 | (10 $|$11.48, 21.00, 30.98) | ( 0 $|$ 0.69, 1.03, 1.47) | (0.92917, 0.96999, 0.99596) 30 | SeDuMi | (14 $|$27.25, 60.67, 108.22) | ( 0 $|$ 1.31, 1.62, 2.26) | (0.92761, 0.97283, 0.99608) | SDPT3 | (12 $|$43.33, 66.25, 95.80) | ( 0 $|$ 1.29, 1.71, 2.22) | (0.92761, 0.97283, 0.99608) 35 | SeDuMi | ( 8 $|$76.07, 328.08, 589.43) | ( 0 $|$ 2.11, 2.42, 2.95) | (0.93669, 0.96707, 0.99717) | SDPT3 | ( 6 $|$116.23, 218.61, 322.82) | ( 0 $|$ 2.21, 2.87, 5.03) | (0.93669, 0.96707, 0.99717) 40 | SeDuMi | Not solved | ( 0 $|$3.11, 3.54, 4.69) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$3.29, 4.50, 5.39) | (–, –, –) 45 | SeDuMi | Not solved | ( 0 $|$4.99, 5.79, 7.10) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$5.43, 6.89, 8.85) | (–, –, –) 50 | SeDuMi | Not solved | ( 0 $|$7.09, 8.47, 11.58) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$9.09, 11.30, 15.02) | (–, –, –) 55 | SeDuMi | Not solved | ( 0 $|$11.84, 14.34, 17.72) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$14.09, 18.30, 22.13) | (–, –, –) 60 | SeDuMi | Not solved | ( 0 $|$19.33, 24.23, 29.13) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$19.45, 22.96, 26.65) | (–, –, –) Table 7: Information on SDP relaxation problems in Subsection 3.4 with density 0.6 by SeDuMi and SDPT3 | Sparse | Adaptive SOS | ---|---|---|--- $n$ | Software | (#solved $|$ min.t, ave.t, max.t) | (#solved $|$ min.t, ave.t, max.t) | (minR, aveR, maxR) 5 | SeDuMi | (27 $|$0.13, 0.22, 0.54) | (25 $|$ 0.12, 0.17, 0.38) | (0.93673, 0.99543, 1.00000) | SDPT3 | (26 $|$0.21, 0.26, 0.33) | (25 $|$ 0.18, 0.21, 0.29) | (0.93673, 0.99543, 1.00000) 10 | SeDuMi | (19 $|$0.36, 0.68, 1.26) | ( 6 $|$ 0.33, 0.48, 0.79) | (0.94709, 0.98678, 1.00000) | SDPT3 | (18 $|$0.37, 0.48, 0.72) | ( 6 $|$ 0.25, 0.31, 0.40) | (0.94709, 0.98678, 1.00000) 15 | SeDuMi | (14 $|$0.71, 1.52, 3.70) | ( 6 $|$ 0.42, 0.61, 1.01) | (0.95463, 0.98581, 1.00000) | SDPT3 | (14 $|$0.77, 1.33, 2.04) | ( 6 $|$ 0.34, 0.41, 0.51) | (0.95463, 0.98581, 1.00000) 20 | SeDuMi | (13 $|$1.92, 5.18, 7.99) | ( 2 $|$ 0.72, 0.91, 1.56) | (0.92378, 0.97521, 1.00000) | SDPT3 | (11 $|$2.25, 5.54, 8.21) | ( 2 $|$ 0.52, 0.61, 0.75) | (0.92378, 0.97521, 1.00000) 25 | SeDuMi | (15 $|$9.56, 29.31, 57.08) | ( 0 $|$ 1.03, 1.24, 1.94) | (0.92768, 0.96827, 0.99715) | SDPT3 | (12 $|$15.55, 26.06, 40.61) | ( 0 $|$ 0.75, 0.93, 1.19) | (0.92768, 0.96827, 0.99715) 30 | SeDuMi | (11 $|$50.72, 168.53, 368.04) | ( 0 $|$ 1.56, 1.97, 2.99) | (0.93048, 0.96888, 0.99470) | SDPT3 | ( 9 $|$42.25, 90.31, 140.94) | ( 0 $|$ 1.27, 1.50, 2.10) | (0.93048, 0.96888, 0.99470) 35 | SeDuMi | (12 $|$510.67, 964.20, 1489.56) | ( 0 $|$ 2.52, 3.11, 4.27) | (0.90892, 0.95875, 0.99301) | SDPT3 | (11 $|$217.87, 303.90, 366.57) | ( 0 $|$ 2.16, 2.55, 3.09) | (0.90892, 0.95875, 0.99301) 40 | SeDuMi | Not solved | ( 0 $|$3.77, 4.34, 5.77) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$3.37, 4.24, 5.12) | (–, –, –) 45 | SeDuMi | Not solved | ( 0 $|$6.08, 6.91, 8.33) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$5.63, 7.07, 9.33) | (–, –, –) 50 | SeDuMi | Not solved | ( 0 $|$8.97, 10.66, 12.82) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$8.87, 10.59, 11.84) | (–, –, –) 55 | SeDuMi | Not solved | ( 0 $|$13.95, 17.13, 20.71) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$10.26, 13.64, 20.92) | (–, –, –) 60 | SeDuMi | Not solved | ( 0 $|$21.94, 25.42, 30.36) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$15.48, 19.66, 27.26) | (–, –, –) Table 8: Information on SDP relaxation problems in Subsection 3.4 with density 0.8 by SeDuMi and SDPT3 | Sparse | Adaptive SOS | ---|---|---|--- $n$ | Software | (#solved $|$ min.t, ave.t, max.t) | (#solved $|$ min.t, ave.t, max.t) | (minR, aveR, maxR) 5 | SeDuMi | (25 $|$0.15, 0.19, 0.34) | (22 $|$ 0.13, 0.17, 0.24) | (0.94896, 0.99548, 1.00000) | SDPT3 | (25 $|$0.22, 0.27, 0.37) | (22 $|$ 0.18, 0.22, 0.29) | (0.94896, 0.99548, 1.00000) 10 | SeDuMi | (20 $|$0.36, 0.54, 0.80) | (11 $|$ 0.26, 0.37, 0.52) | (0.96388, 0.99365, 1.00000) | SDPT3 | (20 $|$0.40, 0.62, 0.99) | (10 $|$ 0.29, 0.39, 0.59) | (0.96388, 0.99365, 1.00000) 15 | SeDuMi | (14 $|$0.93, 1.67, 2.93) | ( 1 $|$ 0.50, 0.59, 0.71) | (0.94514, 0.98537, 1.00000) | SDPT3 | (12 $|$1.29, 1.85, 2.63) | ( 1 $|$ 0.42, 0.51, 0.71) | (0.94514, 0.98537, 1.00000) 20 | SeDuMi | (14 $|$2.51, 5.22, 8.98) | ( 2 $|$ 0.66, 0.85, 1.15) | (0.95261, 0.98061, 1.00000) | SDPT3 | (12 $|$4.50, 6.70, 9.35) | ( 2 $|$ 0.56, 0.76, 1.13) | (0.95261, 0.98061, 1.00000) 25 | SeDuMi | (10 $|$10.64, 23.57, 56.02) | ( 0 $|$ 1.13, 1.25, 1.52) | (0.95060, 0.97500, 0.99997) | SDPT3 | (10 $|$14.13, 26.81, 44.75) | ( 0 $|$ 0.87, 1.11, 1.66) | (0.95060, 0.97500, 0.99997) 30 | SeDuMi | (11 $|$42.70, 156.60, 507.20) | ( 0 $|$ 1.68, 1.89, 2.18) | (0.94199, 0.96738, 0.99484) | SDPT3 | ( 9 $|$53.52, 104.12, 173.49) | ( 0 $|$ 1.43, 1.88, 2.49) | (0.94199, 0.96738, 0.99484 ) 35 | SeDuMi | (15 $|$185.51, 1000.24, 2158.08) | ( 0 $|$ 2.66, 2.89, 3.15) | (0.92313, 0.96254, 0.99485) | SDPT3 | (12 $|$157.31, 337.69, 508.43) | ( 0 $|$ 2.52, 2.99, 3.60) | (0.92313, 0.96258, 0.99485) 40 | SeDuMi | Not solved | ( 0 $|$4.45, 4.89, 6.34) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$4.11, 5.22, 6.66) | (–, –, –) 45 | SeDuMi | Not solved | ( 0 $|$6.52, 7.63, 8.86) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$7.00, 8.05, 9.51) | (–, –, –) 50 | SeDuMi | Not solved | ( 0 $|$10.45, 11.70, 13.89) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$10.57, 12.65, 15.41) | (–, –, –) 55 | SeDuMi | Not solved | ( 0 $|$15.96, 19.55, 24.40) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$11.84, 16.07, 21.26) | (–, –, –) 60 | SeDuMi | Not solved | ( 0 $|$26.31, 32.04, 36.89) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$17.69, 22.33, 27.93) | (–, –, –) 70 | SeDuMi | Not solved | ( 0 $|$69.62, 91.01, 123.14) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$26.30, 34.00, 45.75) | (–, –, –) 80 | SeDuMi | Not solved | ( 0 $|$182.40, 218.82, 268.42) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$46.87, 52.48, 59.51) | (–, –, –) 90 | SeDuMi | Not solved | ( 0 $|$406.85, 478.44, 619.49) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$77.36, 91.34, 107.29) | (–, –, –) 100 | SeDuMi | Not solved | ( 0 $|$844.15, 943.74, 1138.27) | (–, –, –) | SDPT3 | Not solved | ( 0 $|$130.50, 148.36, 172.25) | (–, –, –) We observe the following from Table 5. * • Sparse SDP relaxation obtains the optimal solution for some BoxQPs, while Adaptive SOS relaxation cannot. * • Adaptive SOS relaxation solves the resulting SDP problems approximately 10 $\sim$ 30 times faster than Lasserre’s. * • The values obtained by Adaptive SOS relaxation are within 10% of Sparse SDP relaxation, except for $n=5$. ### 3.5 Numerical results for Bilinear matrix inequality eigenvalue problems In this subsection, we solve the binary matrix inequality eigenvalue problems. $\inf_{s\in\mathbb{R},x\in\mathbb{R}^{n},y\in\mathbb{R}^{m}}\left\\{\,s\,:\,sI_{k}-B_{k}(x,y)\in\mathbb{S}_{+}^{k},x\in[0,1]^{n},y\in[0,1]^{m}\,\right\\},$ (22) where we define for $k\in\mathbb{N}$, $x\in\mathbb{R}^{n}$ and $y\in\mathbb{R}^{m}$: $B_{k}(x,y)=\sum_{i=1}^{n}\sum_{j=1}^{m}B_{ij}x_{i}y_{j}+\sum_{i=1}^{n}B_{i0}x_{i}+\sum_{j=1}^{m}B_{0j}y_{j}+B_{00},$ where $B_{ij}(i=0,\ldots,n,j=0,\ldots,m)$ are $k\times k$ symmetric matrices. In this numerical experiment, each element of $B_{ij}$ is chosen from $[-1,1]$ uniformly. (22) is the problem of minimizing the maximum eigenvalue of $B_{k}(x,y)$ keeping $B_{k}(x,y)$ positive semidefinite. We apply Lasserre and Adaptive SOS relaxations with relaxation order $r=3$. Tables 9 shows the numerical results for BMIEP (22) with $k=5,10$ by SeDuMi and SDPT3, respectively. Table 9: Information on SDP relaxation problems in Subsection 3.5 by SeDuMi and SDPT3 | Lasserre | Adaptive SOS | ---|---|---|--- $(n,m,k)$ | Software | (#solved $|$ min.t, ave.t, max.t) | (#solved $|$ min.t, ave.t, max.t) | (minR, aveR, maxR) (1, 1, 5) | SeDuMi | (21 $|$ 0.11, 0.16, 0.25) | (16 $|$ 0.10, 0.17, 0.29) | (1.00000, 1.00103, 1.02352) | SDPT3 | (21 $|$ 0.28, 0.36, 0.42) | (16 $|$ 0.26, 0.32, 0.41) | (1.00000, 1.00103, 1.02352) (1, 1, 10) | SeDuMi | (20 $|$ 0.12, 0.16, 0.21) | (18 $|$ 0.11, 0.16, 0.30) | (1.00000, 1.00018, 1.00450) | SDPT3 | (20 $|$ 0.32, 0.37, 0.47) | (18 $|$ 0.26, 0.33, 0.44) | (1.00000, 1.00018, 1.00450) (3, 3, 5) | SeDuMi | (3 $|$ 1.95, 3.49, 4.74) | (1 $|$ 0.43, 0.63, 0.81) | (0.878394, 1.01520, 1.20254) | SDPT3 | (3 $|$ 4.81, 7.12, 8.77) | (1 $|$ 0.67, 0.97, 1.14) | (0.878394, 1.01520, 1.20254 ) (3, 3, 10) | SeDuMi | (0 $|$ 2.46, 3.89, 4.77) | (0 $|$ 0.54, 0.69, 0.93) | (1.00000, 1.00407, 1.01243) | SDPT3 | (0 $|$ 5.51, 7.63, 8.95) | (0 $|$ 0.88, 1.04, 1.16) | (1.00000, 1.00407, 1.01243 ) (5, 5, 5) | SeDuMi | (0 $|$ 219.93, 350.02, 545.81) | (0 $|$ 8.25, 10.99, 14.08) | (0.649823, 1.04081, 1.26310) | SDPT3 | (0 $|$ 160.89, 247.24, 298.97) | (0 $|$ 4.45, 5.50, 6.97) | (0.649823, 1.04081, 1.26310) (5, 5, 10) | SeDuMi | (0 $|$ 285.21, 420.27, 509.31) | (0 $|$ 7.96, 10.53, 15.04) | (1.00000, 1.01445, 1.02818) | SDPT3 | (0 $|$ 217.48, 276.67, 309.27) | (0 $|$ 4.34, 5.37, 6.66) | (1.00000, 1.01445, 1.02818) We observe the following: * • SDPT3 solves SDP relaxation problems faster than SeDuMi for $(n,m)=(5,5)$. * • Adaptive SOS relaxation can solve the resulting SDP problems faster than Lasserre’s. In particular, SDPT3 works efficiently for Adaptive SOS relaxation for BMIEP (22). ## 4 Extensions In this section, we give three extensions of Theorem 1 and present some related work to Theorem 1. ### 4.1 Sums of squares of rational polynomials We can extend part i. of Theorem 1 with sums of squares of rational polynomials. We assume that for all $j=1,\ldots,m$, there exists $g_{j}\in\mathbb{R}[x]$ such that $|f_{j}(x)|\leq g_{j}(x)$ and $g_{j}(x)\neq 0$ for all $x\in B$. We define $\tilde{\psi}_{r}(x)=-\sum_{j=1}^{m}f_{j}(x)\left(1-\frac{f_{j}(x)}{g_{j}(x)}\right)^{2r}$ for all $r\in\mathbb{N}$. Then, we can prove the following corollary by using almost the same arguments as Theorem 1. ###### Corollary 4 Suppose that for $\rho\in\mathbb{R}$, $f(x)-\rho>0$ for every $x\in\bar{K}$, i.e., $\rho$ is an lower bound of $f^{\ast}$. Then there exists $\tilde{r}\in\mathbb{N}$ such that for all $r\geq\tilde{r}$, $f-\rho+\tilde{\psi}_{r}$ is positive over $B$. It is difficult to apply Corollary 4 to the framework of SDP relaxations, because we deal with rational polynomials in $\tilde{\psi}_{r}$. However, we may be able to reduce the degrees of sums of squares in $\tilde{\psi}_{r}$ by using Corollary 4. For instance, we consider $f_{1}(x)=1-x^{4}$ and $B=[-1,1]$. Choose $g_{1}(x)=2(1+x^{2})$. Then $g_{1}$ dominates $|f_{1}|$ over $B$, i.e., $|f_{1}(x)|\leq g_{1}(x)$ for all $x\in B$. We have $\tilde{\psi}_{r}(x)=-(1-x^{4})\left(1-\frac{1-x^{4}}{2(1+x^{2})}\right)^{2r}=-(1-x^{4})\left(1-\frac{1-x^{2}}{2}\right)^{2r},$ and the degree of $\tilde{\psi}$ in Corollary 4 is $4r$, while the degree of $\psi$ in Theorem 1 is $8r$. ### 4.2 Extension to POP with correlative sparsity In [29], the authors introduced the notion of correlative sparsity for POP (1), and proposed a sparse SDP relaxation that exploits the correlative sparsity. They then demonstrated that the sparse SDP relaxation outperforms Lasserre’s SDP relaxation. The sparse SDP relaxation is implemented in [30] and its source code is freely available. We give some of the definition of the correlative sparsity for POP (1). For this, we use an $n\times n$ symbolic symmetric matrix $R$, whose elements are either $0$ or $\star$ representing a nonzero value. We assign either $0$ or $\star$ as follows: $R_{k,\ell}=\left\\{\begin{array}[]{ll}\star&\mbox{if }k=\ell,\\\ \star&\mbox{if }\alpha_{k}\geq 1\mbox{ and }\alpha_{\ell}\geq 1\mbox{ for some }\alpha\in\mathcal{F},\\\ \star&\mbox{if }x_{k}\mbox{ and }x_{\ell}\mbox{ are involved in the polynomial }f_{j}\mbox{ for some }j=1,\ldots,m,\\\ 0&\mbox{o.w.}\end{array}\right.$ POP (1) is said to be correlatively sparse if the matrix $R$ is sparse. We give some of the details of the sparse SDP relaxation proposed in [29] for the sake of completeness. We construct an undirected graph $G=(V,E)$ from $R$. Here $V:=\\{1,\ldots,n\\}$ and $E:=\\{(k,\ell):R_{k,\ell}=\star\\}$. After applying the chordal extension to $G=(V,E)$, we generate all maximal cliques $C_{1},\ldots,C_{p}$ of the extension $G=(V,\tilde{E})$ with $E\subseteq\tilde{E}$. See [5, 29] and references therein for the details of the construction of the chordal extension. For a finite set $C\subseteq\mathbb{N}$, $x_{C}$ denotes the subvector which consists of $x_{i}\ (i\in C)$. For all $f_{1},\ldots,f_{m}$ in POP (1), $F_{j}$ denotes the set of indices whose variables are involved in $f_{j}$, i.e., $F_{j}:=\\{i\in\\{1,\ldots,n\\}:\alpha_{i}\geq 1\ \mbox{for some }\alpha\in\mathcal{F}_{j}\\}$. For a finite set $C\subseteq\mathbb{N}$, the sets $\Sigma_{r,C}$ and $\Sigma_{\infty,C}$ denote the subsets of $\Sigma_{r}$ as follows: $\displaystyle\Sigma_{r,C}$ $\displaystyle:=$ $\displaystyle\left\\{\sum_{k=1}^{q}g_{k}(x)^{2}:\forall k=1,\ldots,q,g_{k}\in\mathbb{R}[x_{C}]_{r}\right\\},$ $\displaystyle\Sigma_{\infty,C}$ $\displaystyle:=$ $\displaystyle\bigcup_{r\geq 0}\Sigma_{r,C}.$ Note that if $C=\\{1,\ldots,n\\}$, then we have $\Sigma_{r,C}=\Sigma_{r}$ and $\Sigma_{\infty,C}=\Sigma$. The sparse SDP relaxation problem with relaxation order $r$ for POP (1) is obtained from the following SOS relaxation problem: $\rho_{r}^{\mbox{\scriptsize sparse}}:=\sup\left\\{\rho:\begin{array}[]{l}f-\rho=\sum_{h=1}^{p}\sigma_{0,h}+\sum_{j=1}^{m}\sigma_{j}f_{j},\\\ \sigma_{0,h}\in\Sigma_{r,C_{h}}\ (h=1,\ldots,p),\sigma_{j}\in\Sigma_{r_{j},D_{j}}\ (j=1,\ldots,m)\end{array}\right\\},$ (23) where $D_{j}$ is the union of some of the maximal cliques $C_{1},\ldots,C_{p}$ such that $F_{j}\subseteq C_{h}$ and $r_{j}=r-\lceil\deg(f_{j})/2\rceil$ for $j=1,\ldots,m$. It should be noted that other sparse SDP relaxations are proposed in [9, 19, 22] and the asymptotic convergence is proved. In contrast, the convergence of the sparse SDP relaxation (23) is not shown in [29]. We give an extension of Theorem 1 to POP with correlative sparsity. If $C_{1},\ldots,C_{p}\subseteq\\{1,\ldots,n\\}$ satisfy the following property, we refer this property as the running intersection property (RIP): $\forall h\in\\{1,\ldots,p-1\\},\exists t\in\\{1,\ldots,p\\}\mbox{ such that }C_{h+1}\cap(C_{1}\cup\cdots\cup C_{h})\subsetneq C_{t}.$ For $C_{1},\ldots,C_{p}\subseteq\\{1,\ldots,n\\}$, we define sets $J_{1},\ldots,J_{p}$ as follows: $J_{h}:=\left\\{j\in\\{1,\ldots,m\\}:f_{j}\in\mathbb{R}[x_{C_{h}}]\right\\}.$ Clearly, we have $\cup_{h=1}^{p}J_{h}=\\{1,\ldots,m\\}$. In addition, we define $\displaystyle\psi_{r,h}(x)$ $\displaystyle:=$ $\displaystyle-\sum_{j\in J_{h}}f_{j}(x)\left(1-\frac{f_{j}(x)}{R_{j}}\right)^{2r},$ $\displaystyle\Theta_{r,h,b}(x)$ $\displaystyle:=$ $\displaystyle 1+\sum_{i\in C_{h}}\left(\frac{x_{i}}{b}\right)^{2r}$ for $h=1,\ldots,p$. Using a proof similar to the one for the theorem on convergence of the sparse SDP relaxation given in [9], we can establish the correlatively sparse case of Theorem 1. Indeed, we can obtain the theorem by using [9, Lemma 4] and Theorem 1. ###### Theorem 5 Assume that nonempty sets $C_{1},\ldots,C_{p}\subseteq\\{1,\ldots,n\\}$ satisfy (RIP) and we can decompose $f$ into $f=\hat{f}_{1}+\cdots+\hat{f}_{p}$ with $\hat{f}_{h}\in\mathbb{R}[x_{C_{h}}]\ (h=1,\ldots,p)$. Under the assumptions of Theorem 1, there exists $\tilde{r}\in\mathbb{N}$ such that for all $r\geq\tilde{r}$, $f-\rho+\sum_{h=1}^{p}\psi_{r,h}$ is positive over $B=[-b,b]^{n}$. In addition, for every $\epsilon>0$, there exists $\hat{r}\in\mathbb{N}$ such that for all $r\geq\hat{r}$, $f-\rho+\epsilon\sum_{h=1}^{p}\Theta_{r,h,b}+\sum_{h=1}^{p}\psi_{\tilde{r},h}\in\Sigma_{\infty,C_{1}}+\cdots+\Sigma_{\infty,C_{p}}.$ (24) Note that if $p=1$, i.e., $C_{1}=\\{1,\ldots,n\\}$, then we have $\psi_{r,1}=\psi_{r}$ and $\Theta_{r,1,b}=\Theta_{r,b}$, and thus Theorem 5 is reduced to Theorem 1. Therefore, we will concentrate our effort to prove Theorem 5 in the following. In addition, we remark that it would follow from [9, Theorem 5] that $(\ref{eq:sparsemain})$ holds without the polynomial $\epsilon\sum_{h=1}^{p}\Theta_{r,h,b}$ if we assume that all quadratic modules generated by $f_{j}\ (j\in C_{h})$ for all $h=1,\ldots,p$ are archimedean. To prove Theorem 5, we use Lemma 4 in [9] and Corollary 3.3 of [21]. ###### Lemma 6 (modified version of [9, Lemma 4]) Assume that we decompose $f$ into $f=\hat{f}_{1}+\cdots+\hat{f}_{p}$ with $\hat{f}_{h}\in\mathbb{R}[x_{C_{h}}]$ and $f>0$ on $K$. Then, for any bounded set $B\subseteq\mathbb{R}^{n}$, there exist $\tilde{r}\in\mathbb{N}$ and $g_{h}\in\mathbb{R}[x_{C_{h}}]$ with $g_{h}>0$ on $B$ such that for every $r\geq\tilde{r}$, $f=-\sum_{h=1}^{p}\psi_{r,h}+\sum_{h=1}^{p}g_{h}.$ ###### Remark 7 The original statement in [9, Lemma 4] is slightly different from Lemma 6. In [9, Lemma 4], it is proved that there exists $\lambda\in(0,1]$, $\tilde{r}\in\mathbb{N}$ and $g_{h}\in\mathbb{R}[x_{C_{h}}]$ with $g_{h}>0$ on $B$ such that $f=\sum_{h=1}^{p}\sum_{j\in J_{h}}\left(1-\lambda f_{j}\right)^{2\tilde{r}}f_{j}+\sum_{h=1}^{p}g_{h}.$ In Appendix A, we establish the correctness of Lemma 6 by using [9, Lemma 4]. ###### Lemma 8 (Corollary 3.3 of [21]) Let $f\in\mathbb{R}[x]$ be a polynomial nonnegative on $[-1,1]^{n}$. For arbitrary $\epsilon>0$, there exists some $\hat{r}$ such that for every $r\geq\hat{r}$, the polynomial $(f+\epsilon\Theta_{r})$ is a SOS. Proof of Theorem 5 : We may choose $[-b,b]^{n}$ as $B$ in Lemma 6. It follows from the assumption in Theorem 5 that we can decompose $f-\rho$ into $(\hat{f}_{1}-\rho)+\hat{f}_{2}+\cdots+\hat{f}_{p}$. Since $\hat{f}_{1}-\rho\in\mathbb{R}[x_{C_{1}}]$, it follows from Lemma 6 that there exists $\tilde{r}\in\mathbb{N}$ and $g_{h}\in\mathbb{R}[x_{C_{h}}]$ with $g_{h}>0$ on $B$ such that for every $r\geq\tilde{r}$, $f-\rho=(\hat{f}_{1}-\rho)+\hat{f}_{2}+\cdots+\hat{f}_{p}=-\sum_{h=1}^{p}\psi_{r,h}+\sum_{h=1}^{p}g_{h}.$ Therefore, the polynomial $f-\rho+\sum_{h=1}^{p}\psi_{r,h}$ is positive on $B$ for all $r\geq\tilde{r}$. For simplicity, we fix $h$ and define $C_{h}=\\{c_{1},\ldots,c_{k}\\}$. Then, $g_{h}$ consists of the $k$ variables $x_{c_{1}},\ldots,x_{c_{k}}$. Since $g_{h}>0$ on $B$, it is also positive on $B^{\prime}:=\\{(x_{c_{1}},\ldots,x_{c_{k}}):-b\leq x_{c_{j}}\leq b\ (j=1,\ldots,k)\\}$. We define $\hat{g}_{h}(y)=g_{h}(by)$. Since $g_{h}$ is positive on $B^{\prime}$, $\hat{g}_{h}\in\mathbb{R}[y_{c_{1}},\ldots,y_{c_{k}}]$ is also positive on the set $\\{(y_{c_{1}},\ldots,y_{c_{k}}):-1\leq y_{c_{j}}\leq 1\ (j=1,\ldots,k)\\}$. Applying Lemma 8 to $\hat{g}_{h}$, for all $\epsilon>0$, there exists $\hat{r}_{h}\in\mathbb{N}$ such that for every $r\geq\hat{r}_{h}$, $\hat{g}_{h}(y_{c_{1}},\ldots,y_{c_{k}})+\epsilon\sum_{i=1}^{k}y_{c_{i}}^{2r}=\sigma_{h}(y_{c_{1}},\ldots,y_{c_{k}})$ for some $\sigma_{h}\in\Sigma_{\infty,C_{h}}$. Substituting $x_{c_{1}}=by_{c_{1}},\ldots,x_{c_{k}}=by_{c_{k}}$, we obtain $g_{h}+\epsilon\Theta_{r,h,b}\in\Sigma_{\infty,C_{h}}.$ We fix $\epsilon>0$. Applying the above discussion to all $h=1,\ldots,p$, we obtain the numbers $\hat{r}_{1},\ldots,\hat{r}_{p}$. We denote the maximum over $\hat{r}_{1},\ldots,\hat{r}_{p}$ by $\hat{r}$. Then, we have $f-\rho+\epsilon\sum_{h=1}^{p}\Theta_{r,h,b}+\sum_{h=1}^{p}\psi_{\tilde{r},h}\in\Sigma_{\infty,C_{1}}+\cdots+\Sigma_{\infty,C_{p}}$ for every $r\geq\hat{r}$. $\Box$ ### 4.3 Extension to POP with symmetric cones In this subsection, we extend Theorem 1 to POP over symmetric cones, i.e., $f^{*}:=\inf_{x\in\mathbb{R}^{n}}\left\\{f(x):G(x)\in\mathcal{E}_{+}\right\\},$ (25) where $f\in\mathbb{R}[x]$, $\mathcal{E}_{+}$ is a symmetric cone associated with an $N$-dimensional Euclidean Jordan algebra $\mathcal{E}$, and $G$ is $\mathcal{E}$-valued polynomial in $x$. The feasible region $K$ of POP (25) is $\\{x\in\mathbb{R}^{n}:G(x)\in\mathcal{E}_{+}\\}$. Note that if $\mathcal{E}$ is $\mathbb{R}^{m}$ and $\mathcal{E}_{+}$ is the nonnegative orthant $\mathbb{R}^{m}_{+}$, then (25) is identical to (1). In addition, $\mathbb{S}^{n}_{+}$, the cone of $n\times n$ symmetric positive semidefinite matrices, is a symmetric cone, the bilinear matrix inequalities can be formulated as (25). To construct $\psi_{r}$ for (25), we introduce some notation and symbols. The Jordan product and inner product of $x,y\in\mathcal{E}$ are denoted by, respectively, $x\circ y$ and $x\bullet y$. Let $e$ be the identity element in the Jordan algebra $\mathcal{E}$. For any $x\in\mathcal{E}$, we have $e\circ x=x\circ e=x$. We can define eigenvalues for all elements in the Jordan algebra $\mathcal{E}$, generalizing those for Hermitian matrices. See [4] for the details. We construct $\psi_{r}$ for (25) as follows: $\displaystyle M$ $\displaystyle:=$ $\displaystyle\sup\left\\{\mbox{maximum absolute eigenvalue of }G(x):x\in\bar{K}\right\\},$ $\displaystyle\psi_{r}(x)$ $\displaystyle:=$ $\displaystyle-G(x)\bullet\left(e-\frac{G(x)}{M}\right)^{2r},$ (26) where we define $x^{k}:=x^{k-1}\circ x$ for $k\in\mathbb{N}$ and $x\in\mathcal{E}$. Lemma 4 in [16] shows that $\psi_{r}$ defined in (26) has the same properties as $\psi_{r}$ in Theorem 1. ###### Theorem 9 For a given $\rho$, suppose that $f(x)-\rho>0$ for every $x\in\bar{K}$. Then, there exists $\tilde{r}\in\mathbb{N}$ such that for all $r\geq\tilde{r}$, $f-\rho+\psi_{r}$ is positive over $B$. Moreover, for any $\epsilon>0$, there exists $\hat{r}\in\mathbb{N}$ such that for every $r\geq\hat{r}$, $f-\rho+\epsilon\Theta_{r,b}+\psi_{\tilde{r}}\in\Sigma.$ ### 4.4 Another perturbed sums of squares theorem In this subsection, we present another perturbed sums of squares theorem for POP (1) which is obtained by combining results in [14, 18]. To use the result in [14], we introduce some notation and symbols. We assume that $K\subseteq B:=[-b,b]^{n}$. We choose $\gamma\geq 1$ such that for all $j=0,1,\ldots,m$, $\displaystyle|f_{j}(x)/\gamma|$ $\displaystyle\leq$ $\displaystyle 1\mbox{ if }\|x\|_{\infty}\leq\sqrt{2}b,$ $\displaystyle|f_{j}(x)/\gamma|$ $\displaystyle\leq$ $\displaystyle\|x/b\|_{\infty}^{d}\mbox{ if }\|x\|_{\infty}\geq\sqrt{2}b,$ where $f_{0}$ denotes the objective function $f$ in POP (1), and $d=\max\\{\deg(f),\deg(f_{1}),\ldots,\deg(f_{m})\\}$. For $r\in\mathbb{N}$, we define $\displaystyle\psi_{r}(x)$ $\displaystyle:=$ $\displaystyle-\sum_{j=1}^{m}\left(1-\frac{f_{j}(x)}{\gamma}\right)^{2r}f_{j}(x),$ $\displaystyle\phi_{r,b}(x)$ $\displaystyle:=$ $\displaystyle-\frac{(m+2)\gamma}{b^{2}}\sum_{i=1}^{n}\left(\frac{x_{i}}{b}\right)^{2d(r+1)}(b^{2}-x_{i}^{2}).$ From (a), (b) and (c) of Lemma 3.2 in [14], we obtain the following result: ###### Proposition 10 Assume that the feasible region $K$ of POP (1) is contained in $B=[-b,b]^{n}$. In addition, we assume that for $\rho\in\mathbb{R}$, we have $f-\rho>0$ over $K$. Then there exists $\tilde{r}\in\mathbb{N}$ such that for all $r\geq\tilde{r}$, $(f-\rho+\psi_{r}+\phi_{r,b})$ is positive over $\mathbb{R}^{n}$. We remark that we do not need to impose the assumption on the compactness of $K$ in Proposition 10. Indeed, we can drop it by replacing $K$ by $\bar{K}$ defined in Subsection 2.1 as in Theorem 1. Next, we describe a result from [18] which is useful in deriving another perturbed sums of squares theorem. ###### Theorem 11 ((iii) of Theorem 4.1 in [18]) Let $f\in\mathbb{R}[x]$ be a nonnegative polynomial. Then for every $\epsilon>0$, there exists $\hat{r}\in\mathbb{N}$ such that for all $r\geq\hat{r}$, $f+\epsilon\theta_{r}\in\Sigma,$ where $\theta_{r}(x):=\sum_{i=1}^{n}\sum_{k=0}^{r}(x_{i}^{2k}/k!)$. By incorporating Proposition 10 with Theorem 11, we obtain yet another perturbation theorem. ###### Theorem 12 We assume that for $\rho\in\mathbb{R}$, we have $f-\rho>0$ over $K$. Then we have 1. i. there exists $\tilde{r}\in\mathbb{N}$ such that for all $r\geq\tilde{r}$, $(f-\rho+\psi_{r}+\phi_{r,b})$ is positive over $\mathbb{R}^{n}$; 2. ii. moreover, for every $\epsilon>0$, there exists $\hat{r}\in\mathbb{N}$ such that for all $r\geq\hat{r}$, $(f-\rho+\psi_{\tilde{r}}+\phi_{\tilde{r},b}+\epsilon\theta_{r})\in\Sigma.$ We give an SDP relaxation analogous to (5), based on Theorem 12, as follows: $\eta(\epsilon,\tilde{r},r):=\sup\left\\{\eta:\begin{array}[]{l}f-\eta+\epsilon\theta_{r}-\displaystyle\sum_{j=1}^{m}f_{j}\sigma_{j}-\displaystyle\sum_{i=1}^{n}(b^{2}-x_{i}^{2})\mu_{i}=\sigma_{0},\\\ \sigma_{0}\in\Sigma_{r},\sigma_{j}\in\Sigma(\tilde{r}\tilde{\mathcal{F}}_{j}),\mu_{i}\in\Sigma(\\{d(\tilde{r}+1)e_{i}\\})\end{array}\right\\},$ (27) for some $r\geq\tilde{r}$, where $e_{i}$ is the $i$th standard unit vector in $\mathbb{R}^{n}$. One of the differences between (5) and (27) is that (27) has $n$ SOS variables $\mu_{1},\ldots,\mu_{n}$. These variables correspond to nonnegative variables in the SDP formulation, but not positive semidefinite matrices, since these consist of a single monomial. On the other hand, it is difficult to estimate $\tilde{r}$ in the SDP relaxations (5) and (27), and thus we could not compare the size and the quality of the optimal value of (5) with (27) so far. We obtain a result similar technique to Theorem 2. We omit the proof because we obtain the inequalities by applying a proof similar to that of Theorem 2. ###### Theorem 13 For every $\epsilon>0$, there exists $r,\tilde{r}\in\mathbb{N}$ such that $f^{*}-\epsilon\leq\eta(\epsilon,\tilde{r},r)\leq f^{*}+\epsilon ne^{b^{2}}$. ## 5 Concluding Remarks We mention other research related to our work related to Theorem 1. A common element in all of these approaches is to use perturbations $\epsilon\theta_{r}(x)$ or $\epsilon\Theta_{r}(x)$ for finding an approximate solution of a given POP. In [10, 12], the authors added $\epsilon\Theta_{r}(x)$ to the objective function of a given unconstrained POP and used algebraic techniques to find a solution. In [13], the following equality constraints were added in the perturbed unconstrained POP and Lasserre’s SDP relaxation was applied to the new POP: $\frac{\partial f_{0}}{\partial x_{i}}+2r\epsilon x_{i}^{2r-1}=0\ (i=1,\ldots,n).$ Lasserre in [20] proposed an SDP relaxation via $\theta_{r}(x)$ defined in Theorem 11 and a perturbation theorem for semi-algebraic set defined by equality constraints $g_{k}(x)=0$ $(k=1,\ldots,m)$. The SDP relaxation can be applied to the following equality constrained POP: $\inf_{x\in\mathbb{R}^{n}}\left\\{f_{0}(x):g_{k}(x)=0\ (k=1,\ldots,m)\right\\};$ (28) To obtain the SDP relaxations, $\epsilon\theta_{r}(x)$ is added to the objective function in POP (28) and the equality constraints in POP (28) is replaced by $g_{k}^{2}(x)\leq 0$. In the resulting SDP relaxations, $\theta_{r}(x)$ is explicitly introduced and variables associated with constraints $g_{k}^{2}(x)\leq 0$ are not positive semidefinite matrices, but nonnegative variables. In this paper, we present a perturbed SOS theorem (Theorem 1) and its extensions, and propose a new sparse relaxation called Adaptive SOS relaxation. During the course of the paper, we have shed some light on why Lasserre’s SDP relaxation calculates the optimal value of POP even if its SDP relaxation has a different optimal value. The numerical experiments clearly show that Adaptive SOS relaxation is promising, justifying the need for future research in this direction. Of course, if the original POP is dense, i.e., $\tilde{F}_{j}$ contains many elements for almost all $j$, then the proposed relaxation has little effect in reducing the SDP relaxation. However, in real applications, such cases seem rare. In the numerical experiments, we sometimes observe that the behaviors of SeDuMi and SDPT3 are very different each other. See, for example, Table 4. In the column of Adaptive SOS, SeDuMi solved significantly fewer problems than SDPT3. On the other hand, there are several cases where SeDuMi outperforms SDPT3. For such an example, see the sparse relaxation column of Table 7. This is why we present the results of both solvers in every table. In solving a real problem, one should be very careful in choosing the appropriate SDP solver for the problem at hand. ## Acknowledgements The first author was supported by in part by a Grant-in-Aid for Scientific Research (C) 19560063. The second author was supported in part bya Grant-in- Aid for Young Scientists (B) 22740056. The third author was supported in part by a Discovery Grant from NSERC, a research grant from University of Waterloo and by ONR research grant N00014-12-10049. ## Appendix A A proof of Lemma 6 As we have already mentioned in Remark 7, Lemma 6 is slightly different from the original one in [9, Lemma 4]. To show the correctness of Lemma 6, we use the following lemma: ###### Lemma 14 ([9, Lemma 3]) Let $B\subseteq\mathbb{R}^{n}$ be a compact set. Assume that nonempty sets $C_{1},\ldots,C_{p}\subseteq\\{1,\ldots,n\\}$ satisfy (RIP) and we can decompose $f$ into $f=\hat{f}_{1}+\cdots+\hat{f}_{p}$ with $\hat{f}_{h}\in\mathbb{R}[x_{C_{h}}]\ (h=1,\ldots,p)$. In addition, suppose that $f>0$ on $B$. Then there exists $g_{h}\in\mathbb{R}[x_{C_{h}}]$ with $g_{h}>0$ on $B$ such that $f=g_{1}+\cdots+g_{p}.$ We can prove Lemma 6 in a manner similar to [9, Lemma 4]. We define $F_{r}:\mathbb{R}^{n}\to\mathbb{R}$ as follows: $F_{r}=f-\sum_{h=1}^{p}\psi_{r,h}.$ We recall that $\psi_{r,h}=\sum_{j\in C_{h}}(1-f_{j}/R_{j})^{2r}f_{j}$ for all $h=1,\ldots,p$ and $r\in\mathbb{N}$, and that $R_{j}$ is the maximum value of $|f_{j}|$ on $B$ for all $j=1,\ldots,m$. It follows from the definitions of $\psi_{r,h}$ and $R_{j}$ that we have $\psi_{r,h}\geq\psi_{r+1,h}$ on $B$ for all $h=1,\ldots,p$ and $r\in\mathbb{N}$, and thus we have $F_{r}\leq F_{r+1}$ on $B$. In addition, we can prove that (i) on $B\cap K$, $F_{r}\to f$ as $r\to\infty$, and (ii) on $B\setminus K$, $F_{r}\to\infty$ as $r\to\infty$. Since $B$ is compact, it follows from (i), (ii) and the positiveness of $f$ on $B$ that there exists $\tilde{r}\in\mathbb{N}$ such that for every $r\geq\tilde{r}$, $F_{r}>0$ on $B$. Applying Lemma 14 to $F_{r}$, we obtain the desired result. ## References * [1] J.M. Borwein and H. 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Wang, Regularization methods for SDP relaxations in large scale polynomial optimization, SIAM Journal on Optimization 22 (2012) pp. 408–428. * [25] P. A. Parrilo, Semidefinite programming relaxations for semialgebraic problems, Mathematical Programming 96 (2003), pp. 293–320. * [26] A. Prestel and C. N. Delzell, Positive Polynomials, Springer-Verlag, Berlin, 2001. * [27] J. F. Sturm, SeDuMi 1.02, a MATLAB toolbox for optimization over symmetric cones, Optimization Methods and Software 11 & 12 (1999), pp. 625–653. * [28] R. H. Tütüncü, K. C. Toh and M. J. Todd, Solving semidefinite-quadratic-linear programs using SDPT3, Mathematical Programming 95 (2003), pp. 189–217. * [29] H. Waki, S. Kim, M. Kojima and M. Muramatsu, Sums of Squares and Semidefinite Programming Relaxations with Structured Sparsity, SIAM Journal on Optimization 17 (2006), pp. 218–242. * [30] H. Waki, S. Kim, M. Kojima, M. Muramatsu and H. 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arxiv-papers
2013-03-30T03:59:23
2024-09-04T02:49:43.627702
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Masakazu Muramatsu and Hayato Waki and Levent Tuncel", "submitter": "Hayato Waki", "url": "https://arxiv.org/abs/1304.0065" }
1304.0067
# On an Operator Preserving Inequalities between Polynomials N. A. Rather, Suhail Gulzar Department of Mathematics, University of Kashmir, Srinagar 190006, India [email protected], [email protected] Abstract. Let $\mathscr{P}_{n}$ denote the space of all complex polynomials $P(z)=\sum_{j=0}^{n}a_{j}{z}^{j}$ of degree $n$ and $\mathcal{B}_{n}$ a family of operators that maps $\mathscr{P}_{n}$ into itself. In this paper, we consider a problem of investigating the dependence of $\left|B[P\circ\sigma](z)-\alpha B[P\circ\rho](z)+\beta\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}B[P\circ\rho](z)\right|$ on the maximum and minimum modulus of $|P(z)|$ on $|z|=k$ for arbitrary real or complex numbers $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1,R>r\geq k,$ $\sigma(z)=Rz,$ $\rho(z)=rz$ and establish certain sharp operator preserving inequalities between polynomials, from which a variety of interesting results follow as special cases. Keywords: Polynomials; Inequalities in the complex domain; $\mathcal{B}_{n}$-operator. 2000 AMS Subject Classification: 30A10; 30D15; 41A17 ## 1\. Introduction Let $\mathscr{P}_{n}$ denote the space of all complex polynomials $P(z)=\sum_{j=0}^{n}a_{j}{z}^{j}$ of degree $n$. A famous result known as Bernstein’s inequality (for reference, see [8, p.531], [10, p.508] or [11] states that if $P\in\mathscr{P}_{n}$, then (1) $\underset{\left|z\right|=1}{Max}\left|P^{\prime}(z)\right|\leq n\underset{\left|z\right|=1}{Max}\left|P(z)\right|,$ whereas concerning the maximum modulus of $P(z)$ on the circle $\left|z\right|=R>1$, we have (2) $\underset{\left|z\right|=R}{Max}\left|P(z)\right|\leq R^{n}\underset{\left|z\right|=1}{Max}\left|P(z)\right|,\,\,\,R\geq 1.$ (for reference, see [7, p.442] or [8, vol.I, p.137] ). If we restrict ourselves to the class of polynomials $P\in\mathscr{P}_{n}$ having no zero in $|z|<1$, then inequalities (1) and (2) can be respectively replaced by (3) $\underset{\left|z\right|=1}{Max}\left|P^{\prime}(z)\right|\leq\frac{n}{2}\underset{\left|z\right|=1}{Max}\left|P(z)\right|,$ and (4) $\underset{\left|z\right|=R}{Max}\left|P(z)\right|\leq\frac{R^{n}+1}{2}\underset{\left|z\right|=1}{Max}\left|P(z)\right|,\,\,\,R\geq 1.$ Inequality (3) was conjectured by Erdös and later verified by Lax [5], whereas inequality (4) is due to Ankey and Ravilin [1]. Aziz and Dawood [2] further improved inequalities (3) and (4) under the same hypothesis and proved that, (5) $\underset{\left|z\right|=1}{Max}\left|P^{\prime}(z)\right|\leq\frac{n}{2}\left\\{\underset{\left|z\right|=1}{Max}\left|P(z)\right|-\underset{\left|z\right|=1}{Min}\left|P(z)\right|\right\\},$ (6) $\underset{\left|z\right|=R}{Max}\left|P(z)\right|\leq\frac{R^{n}+1}{2}\underset{\left|z\right|=1}{Max}\left|P(z)\right|-\frac{R^{n}-1}{2}\underset{\left|z\right|=1}{Min}\left|P(z)\right|,\,\,\,R\geq 1.$ As a compact generalization of Inequalities (1) and (2), Aziz and Rather [3] have shown that if $P\in\mathscr{P}_{n}$ then for $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,$ $|\beta|\leq 1,$ $R>1$ and $|z|\geq 1,$ $\displaystyle\bigg{|}P(Rz)-\alpha P(z)$ $\displaystyle+\beta\left\\{\left(\frac{R+1}{2}\right)^{n}-|\alpha|\right\\}P(z)\bigg{|}$ (7) $\displaystyle\leq|z|^{n}\left|R^{n}-\alpha+\beta\left\\{\left(\frac{R+1}{2}\right)^{n}-|\alpha|\right\\}\right|\underset{\left|z\right|=1}{Max}\left|P(z)\right|.$ The result is sharp and equality in (1\. Introduction) holds for the polynomial $P(z)=az^{n},$ $a\neq 0.$ As a corresponding compact generalization of Inequalities (3) and (4), they [3] have also shown that if $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $|z|<1,$ then for all $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1,$ $R>1$ and $|z|\geq 1,$ $\displaystyle\Bigg{|}P(Rz)-\alpha P(z)+\beta$ $\displaystyle\left\\{\left(\frac{R+1}{2}\right)^{n}-|\alpha|\right\\}P(z)\Bigg{|}$ $\displaystyle\leq\frac{1}{2}$ $\displaystyle\Bigg{[}\left|R^{n}-\alpha+\beta\left\\{\left(\frac{R+1}{2}\right)^{n}-|\alpha|\right\\}\right||z|^{n}$ (8) $\displaystyle+\left|1-\alpha+\beta\left\\{\left(\frac{R+1}{2}\right)^{n}-|\alpha|\right\\}\right|\Bigg{]}\underset{\left|z\right|=1}{Max}\left|P(z)\right|.$ The result is best possible and equality in (1\. Introduction) holds for $P(z)=az^{n}+b,$ $|a|=|b|.$ Q. I. Rahman [9] (see also Rahman and Schmeisser [10, p. 538]) introduced a class $\mathcal{B}_{n}$ of operators $B$ that carries a polynomial $P\in\mathscr{P}_{n}$ into (9) $B[P](z)=\lambda_{0}P(z)+\lambda_{1}\left(\dfrac{nz}{2}\right)\dfrac{P^{\prime}(z)}{1!}+\lambda_{2}\left(\dfrac{nz}{2}\right)^{2}\dfrac{P^{\prime\prime}(z)}{2!},$ where $\lambda_{0},\lambda_{1}$ and $\lambda_{2}$ are such that all the zeros of (10) $U(z)=\lambda_{0}+n\lambda_{1}z+\frac{n(n-1)}{2}\lambda_{2}z^{2}$ lie in half plane $|z|\leq\left|z-n/2\right|.$ As a generalization of the inequalities (1) and (3), Q. I. Rahman [9, inequalities 5.2 and 5.3] proved that if $P\in\mathscr{P}_{n},$ then (11) $|B[P](z)|\leq|B[z^{n}]|\underset{|z|=1}{Max}|P(z)|,\,\,\,\,\,\,\textnormal{for}\,\,\,\,\,\,\,|z|\geq 1,$ and if $P\in\mathscr{P}_{n},$ $P(z)\neq 0$ in $|z|<1,$ then (12) $|B[P](z)|\leq\dfrac{1}{2}\left\\{|B[z^{n}]|+|\lambda_{0}|\right\\}\underset{|z|=1}{Max}|P(z)|,\,\,\,\,\,\,\textnormal{for}\,\,\,\,\,\,\,|z|\geq 1,$ where $B\in\mathcal{B}_{n}.$ In this paper, we denote for any complex functions $P,\,\rho:\mathbb{C}\rightarrow\mathbb{C}$ the composite function of $P$ and $\rho$, defined by $\left(P\circ\rho\right)(z)=P\left(\rho(z)\right)\,\,(z\in\mathbb{C}),$ as $P\circ\rho$. ## 1\. Preliminaries For the proof of our results, we need the following Lemmas. ###### Lemma 1.1. If $P\in\mathscr{P}_{n}$ and $P(z)$ have all its zeros in $\left|z\right|\leq k$ where $k\geq 0$, then for every $R\geq r,$ $Rr\geq k^{2}$ and $\left|z\right|=1$, we have $\left|P(Rz)\right|\geq\left(\frac{R+k}{r+k}\right)^{n}\left|P(rz)\right|.$ The above is due to Aziz and Zargar [4]. The next lemma follows from Corollary $18.3$ of [6, p. 86]. ###### Lemma 1.2. If $P\in\mathscr{P}_{n}$ and $P(z)$ has all zeros in $|z|\leq k,$ where $k>0$ then all the zeros of $B[P](z)$ also lie in $|z|\leq k.$ ###### Lemma 1.3. If $P\in\mathscr{P}_{n}$ and $P(z)$ have no zero in $\left|z\right|<k,$ where $k>0,$ then for all $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,$ $|\beta|\leq 1$ , $R>r\geq k$ and $|z|\geq 1$, $\displaystyle\big{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}$ (13) $\displaystyle\leq k^{n}\left|B[Q\circ\tau](z)]+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)\right|$ where $Q(z)=z^{n}\overline{P(1/\overline{z})},$ $\sigma(z)=Rz,$ $\rho(z)=rz,$ $\tau(z)=Rz/k^{2},$ $\eta(z)=rz/k^{2}$ and (14) $\Phi_{k}(R,r,\alpha,\beta)=\beta\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}-\alpha.$ ###### Proof. By hypothesis, the polynomial $P(z)$ does not vanish in $|z|<k.$ Therefore, all the zeros of polynomial $Q(z/k^{2})$ lie in $|z|<k$. As $|k^{n}Q(z/k^{2})|=|P(z)|\,\,\,\,\textrm{for}\,\,\,\,|z|=k,$ applying Theorem 2.1 to $P(z)$ with $F(z)$ replaced by $k^{n}Q(z/k^{2}),$ we get for arbitrary real or complex numbers $\alpha,\beta$ with $|\alpha|\leq 1,$ $|\beta|\leq 1,$ $R>r\geq k$ and $|z|\geq 1,$ $\displaystyle\big{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}$ $\displaystyle\leq k^{n}\left|B[Q\circ\tau](z)]+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)\right|,$ This proves Lemma 1.3. ∎ ###### Lemma 1.4. If $P\in\mathscr{P}_{n}$ and $Q(z)=z^{n}\overline{P(1/\overline{z})}$ then for $\alpha,\beta\in\mathbb{C}$ ,with $|\alpha|\leq 1,|\beta|\leq 1,R>r\geq k$, $k\leq 1$ and $|z|\geq 1$, $\displaystyle\Big{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\Big{|}$ $\displaystyle+k^{n}$ $\displaystyle\Big{|}B[Q\circ\tau](z)+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)]\Big{|}$ (15) $\displaystyle\leq\left\\{|\lambda_{0}|\big{|}1+\Phi_{k}(R,r,\alpha,\beta)\big{|}+\frac{|B[z^{n}]|}{k^{n}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right|\right\\}\underset{\left|z\right|=k}{Max}\left|P(z)\right|$ where $\sigma(z)=Rz,$ $\rho(z)=rz,$ $\tau(z)=Rz/k^{2},$ $\eta(z)=rz/k^{2}$ and $\Phi_{k}(R,r,\alpha,\beta)$ is given by (14). ###### Proof. Let $M=Max_{\left|z\right|=k}\left|P(z)\right|,$ then by Rouche’s theorem, the polynomial $F(z)=P(z)-\mu M$ does not vanish in $|z|<k$ for every $\mu\in\mathbb{C}$ with $|\mu|>1.$ Applying Lemma 1.3 to polynomial $F(z)$, we get for $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1$ and $|z|\geq 1$, $\left|B[F\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[F\circ\rho](z)\right|\leq k^{n}\left|B[H\circ\tau](z)+\Phi_{k}(R,r,\alpha,\beta)B[H\circ\eta](z)\right|,$ where $H(z)=z^{n}\overline{F(1/\overline{z})}=Q(z)-\overline{\mu}Mz^{n}$. Replacing $F(z)$ by $P(z)-\mu M$ and $H(z)$ by $Q(z)-\overline{\mu}Mz^{n},$ we have for $|\alpha|\leq 1,|\beta|\leq 1$ and $|z|\geq 1$, $\displaystyle\big{|}B[P\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)$ $\displaystyle B[P\circ\rho](z)-\mu\lambda_{0}\left(1+\Phi_{k}(R,r,\alpha,\beta)\right)M\big{|}$ $\displaystyle\leq k^{n}\Bigg{|}B[Q\circ\tau](z)]$ $\displaystyle+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)]$ (16) $\displaystyle-\frac{\overline{\mu}}{k^{2n}}\left(R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right)MB[z^{n}]\Bigg{|}$ where $Q(z)=z^{n}\overline{P(1/\overline{z})}$. Now choosing argument of $\mu$ in the right hand side of inequality (1) such that $\displaystyle k^{n}$ $\displaystyle\bigg{|}B[Q\circ\tau](z)+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)-\frac{\overline{\mu}}{k^{2n}}\left(R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right)MB[z^{n}]\bigg{|}$ $\displaystyle=\frac{|\overline{\mu}|}{k^{n}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right||B[z^{n}]|M-k^{n}\left|B[Q\circ\tau](z)+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)]\right|$ which is possible by applying Corollary 2.3 to polynomial $Q(z/k^{2})$ and using the fact $Max_{\left|z\right|=k}\left|Q(z/k^{2})\right|$ $=M/k^{n}$, we get for $|\alpha|\leq 1,|\beta|\leq 1$ and $|z|\geq 1$, $\displaystyle\big{|}$ $\displaystyle B[P\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}-|\mu\lambda_{0}|\big{|}\left(1+\Phi_{k}(R,r,\alpha,\beta)\right)M\big{|}$ $\displaystyle\leq\frac{|\overline{\mu}|}{k^{n}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right||B[z^{n}]|M-k^{n}\left|B[Q\circ\tau](z)]+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)]\right|$ Equivalently for $|\alpha|\leq 1,|\beta|\leq 1$ and $|z|\geq 1$, $\displaystyle\big{|}B[P\circ\sigma](z)$ $\displaystyle+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}+k^{n}\left|B[Q\circ\tau](z)]+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)\right|$ $\displaystyle\leq|\mu|\left\\{|\lambda_{0}|\big{|}1+\Phi_{k}(R,r,\alpha,\beta)\big{|}+\frac{1}{k^{n}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right||B[z^{n}]|\right\\}M$ Letting $|\mu|\rightarrow 1$ , we get the conclusion of Lemma 1.4 and this completes proof of Lemma 1.4. ∎ ## 2\. Main results ###### Theorem 2.1. If $F\in\mathscr{P}_{n}$ and $F(z)$ has all its zeros in the disk $\left|z\right|\leq k$ where $k>0$ and $P(z)$ is a polynomial of degree at most n such that $\left|P(z)\right|\leq\left|F(z)\right|\,\,\,for\,\,\,|z|=k,$ then for $\left|\alpha\right|\leq 1,\left|\beta\right|\leq 1$, $R>r\geq k$ and $|z|\geq 1$, $\displaystyle\big{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}$ (17) $\displaystyle\leq\left|B[F\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[F\circ\rho](z)\right|$ where $\sigma(z)=Rz,$ $\rho(z)=rz$ and (18) $\Phi_{k}(R,r,\alpha,\beta)=\beta\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}-\alpha.$ The result is best possible and the equality holds for the polynomial $P(z)=e^{i\gamma}F(z)$ where $\gamma\in\mathbb{R}.$ ###### Proof of Theorem 2.1. Since polynomial $F(z)$ of degree $n$ has all its zeros in $|z|\leq k$ and $P(z)$ is a polynomial of degree at most $n$ such that (19) $|P(z)|\leq|F(z)|\,\,\,\,\textrm{for}\,\,\,\,|z|=k,$ therefore, if $F(z)$ has a zero of multiplicity $s$ at $z=ke^{i\theta_{0}},$ $0\leq\theta_{0}<2\pi,$ then $P(z)$ has a zero of multiplicity at least $s$ at $z=ke^{i\theta_{0}}$. If $P(z)/F(z)$ is a constant, then inequality (2.1) is obvious. We now assume that $P(z)/F(z)$ is not a constant, so that by the maximum modulus principle, it follows that $|P(z)|<|F(z)|\,\,\,\textrm{for}\,\,|z|>k\,\,.$ Suppose $F(z)$ has $m$ zeros on $|z|=k$ where $0\leq m<n$, so that we can write $F(z)=F_{1}(z)F_{2}(z)$ where $F_{1}(z)$ is a polynomial of degree $m$ whose all zeros lie on $|z|=k$ and $F_{2}(z)$ is a polynomial of degree exactly $n-m$ having all its zeros in $|z|<k$. This implies with the help of inequality (19) that $P(z)=P_{1}(z)F_{1}(z)$ where $P_{1}(z)$ is a polynomial of degree at most $n-m$. Again, from inequality (19), we have $|P_{1}(z)|\leq|F_{2}(z)|\,\,\,for\,\,|z|=k\,$ where $F_{2}(z)\neq 0\,\,for\,\,|z|=k$. Therefore for every real or complex number $\lambda$ with $|\lambda|>1$, a direct application of Rouche’s theorem shows that the zeros of the polynomial $P_{1}(z)-\lambda F_{2}(z)$ of degree $n-m\geq 1$ lie in $|z|<k$ hence the polynomial $G(z)=F_{1}(z)\left(P_{1}(z)-\lambda F_{2}(z)\right)=P(z)-\lambda F(z)$ has all its zeros in $|z|\leq k$ with at least one zero in $|z|<k$, so that we can write $G(z)=(z-te^{i\delta})H(z)$ where $t<k$ and $H(z)$ is a polynomial of degree $n-1$ having all its zeros in $|z|\leq k$. Applying Lemma 1.1 to the polynomial $H(z)$, we obtain for every $R>r\geq k$ and $0\leq\theta<2\pi$, $\displaystyle|G(Re^{i\theta})|=$ $\displaystyle|Re^{i\theta}-te^{i\delta}||H(Re^{i\theta})|$ $\displaystyle\geq$ $\displaystyle|Re^{i\theta}-te^{i\delta}|\left(\frac{R+k}{k+r}\right)^{n-1}|H(re^{i\theta})|,$ $\displaystyle=$ $\displaystyle\left(\frac{R+k}{k+r}\right)^{n-1}\frac{|Re^{i\theta}-te^{i\delta}|}{|re^{i\theta}-te^{i\delta}|}|(re^{i\theta}-te^{i\delta})H(re^{i\theta})|,$ $\displaystyle\geq$ $\displaystyle\left(\frac{R+k}{k+r}\right)^{n-1}\left(\frac{R+t}{r+t}\right)|G(re^{i\theta})|.$ This implies for $R>r\geq k$ and $0\leq\theta<2\pi$, (20) $\left(\frac{r+t}{R+t}\right)|G(Re^{i\theta})|\geq\left(\frac{R+k}{k+r}\right)^{n-1}|G(re^{i\theta})|.$ Since $R>r\geq k$ so that $G(Re^{i\theta})\neq 0$ for $0\leq\theta<2\pi$ and $\frac{r+k}{k+R}>\frac{r+t}{R+t}$, from inequality (20), we obtain (21) $|G(Re^{i\theta})|>\left(\frac{R+k}{k+r}\right)^{n}|G(re^{i\theta})|,\,\,\,\,\,\,R>r\geq k\,\,\,\,\textrm{and}\,\,\,\,\,0\leq\theta<2\pi.$ Equivalently, $|G(Rz)|>\left(\frac{R+k}{k+r}\right)^{n}|G(rz)|$ for $|z|=1$ and $R>r\geq k$. Hence for every real or complex number $\alpha$ with $|\alpha|\leq 1$ and $R>r\geq k,$ we have (22) $\displaystyle\left|G(Rz)-\alpha G(rz)\right|$ $\displaystyle\geq\left|G(Rz)\right|-|\alpha|\left|G(rz)\right|$ $\displaystyle>\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}|G(rz)|,\,\,\,\textrm{for}\,\,\,|z|=1.$ Also, inequality (21) can be written in the form (23) $|G(re^{i\theta})|<\left(\frac{k+r}{R+k}\right)^{n}|G(Re^{i\theta})|$ for every $R>r\geq k$ and $0\leq\theta<2\pi.$ Since $G(Re^{i\theta})\neq 0$ and $\left(\frac{k+r}{R+k}\right)^{n}<1$, from inequality (23), we obtain for $0\leq\theta<2\pi$ and $R>r\geq k$, $|G(re^{i\theta})|<|G(Re^{i\theta})|.$ That is, $|G(rz)|<|G(Rz)|\,\,\,\textrm{for}\,\,\,\,|z|=1.$ Since all the zeros of $G(Rz)$ lie in $|z|\leq(k/R)<1$, a direct application of Rouche’s theorem shows that the polynomial $G(Rz)-\alpha G(rz)$ has all its zeros in $|z|<1$ for every real or complex number $\alpha$ with $|\alpha|\leq 1$. Applying Rouche’s theorem again, it follows from (22) that for arbitrary real or complex numbers $\alpha,\beta$ with $|\alpha|\leq 1,|\beta|\leq 1$ and $R>r\geq k$, all the zeros of the polynomial $\displaystyle T(z)=$ $\displaystyle G(Rz)-\alpha G(rz)+\beta\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}G(rz)$ $\displaystyle=$ $\displaystyle\left[P(Rz)-\alpha P(rz)+\beta\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}P(rz)\right]$ $\displaystyle\,\,\,\,-\lambda\left[F(Rz)-\alpha F(rz)+\beta\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}F(rz)\right]$ lie in $|z|<1$. Applying Lemma 1.3 to the polynomial $T(z)$ and noting that $B$ is a linear operator, it follows that all the zeros of polynomial $\displaystyle B[T](z)=$ $\displaystyle\left[B[P\circ\sigma](z)-\alpha B[P\circ\rho](z)+\beta\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}B[P\circ\rho](z)\right]$ $\displaystyle\,\,\,-\lambda\left[B[F\circ\sigma](z)-\alpha B[F\circ\rho](z)+\beta\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}[F\circ\rho](z)\right]$ lie in $|z|<1.$ This implies $\displaystyle\big{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}$ (24) $\displaystyle\leq\left|B[P\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\right|,$ for $|z|\geq 1$ and $R>r\geq k$. If inequality (2) is not true, then there a point $z=z_{0}$ with $|z_{0}|\geq 1$ such that $\displaystyle\big{|}\big{\\{}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{\\}}_{z=z_{0}}\big{|}$ $\displaystyle\geq\left|\left\\{B[F\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[F\circ\rho](z)\right\\}_{z=z_{0}}\right|,$ But all the zeros of $F(Rz)$ lie in $|z|<(k/R)<1$, therefore, it follows (as in case of $G(z)$) that all the zeros of $F(Rz)-\alpha F(rz)+\beta\left\\{\left(\frac{R+k}{k+r}\right)^{n}-|\alpha|\right\\}F(rz)$ lie in $\left|z\right|<1$. Hence, by Lemma 1.3, $\left\\{B[F\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[F\circ\rho](z)\right\\}_{z=z_{0}}\neq 0$ with $|z_{0}|\geq 1$.We take $\lambda=\dfrac{\left\\{B[P\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\right\\}_{z=z_{0}}}{\left\\{B[P\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\right\\}_{z=z_{0}}},$ then $\lambda$ is a well defined real or complex number with $|\lambda|>1$ and with this choice of $\lambda$, we obtain $\\{B[T](z)\\}_{z=z_{0}}=0$ where $|z_{0}|\geq 1$. This contradicts the fact that all the zeros of $B[T(z)]$ lie in $|z|<1$. Thus (2) holds for $|\alpha|\leq 1$, $|\beta|\leq 1$, $|z|\geq 1$, and $R>r\geq k.$ ∎ For $\alpha=0$ in Theorem 2.1, we obtain the following. ###### Corollary 2.2. If $F\in\mathscr{P}_{n}$ and $F(z)$ has all its zeros in the disk $\left|z\right|\leq k,$ where $k>0$ and $P(z)$ is a polynomial of degree at most n such that $\left|P(z)\right|\leq\left|F(z)\right|\,\,\,for\,\,\,|z|=k,$ then for $\left|\beta\right|\leq 1$, $R>r\geq k$ and $|z|\geq 1$, $\displaystyle\bigg{|}B[P\circ\sigma](z)+$ $\displaystyle\beta\left(\frac{R+k}{k+r}\right)^{n}B[P\circ\rho](z)\bigg{|}$ (25) $\displaystyle\leq\left|B[F\circ\sigma](z)+\beta\left(\frac{R+k}{k+r}\right)^{n}B[F\circ\rho](z)\right|$ where $\sigma(z)=Rz,$ $\rho(z)=rz.$ The result is sharp, and the equality holds for the polynomial $P(z)=e^{i\gamma}F(z)$ where $\gamma\in\mathbb{R}.$ If we choose $F(z)=z^{n}M/k^{n}$, where $M=Max_{\left|z\right|=k}\left|P(z)\right|$ in Theorem 2.1, we get the following result. ###### Corollary 2.3. If $P\in\mathscr{P}_{n}$ then for $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,$ $|\beta|\leq 1,$ $R>r\geq k>0$ and $|z|=1,$ $\displaystyle\big{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}$ (26) $\displaystyle\leq\frac{1}{k^{n}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right||B[z^{n}]|\underset{\left|z\right|=k}{Max}\left|P(z)\right|$ where $\sigma(z)=Rz,$ $\rho(z)=rz$ and $\Phi_{k}(R,r,\alpha,\beta)$ is given by (18). The result is best possible and equality in (2.3) holds for $P(z)=az^{n},$ $a\neq 0.$ Next, we take $P(z)=z^{n}m/k^{n}$, where $m=Min_{\left|z\right|=k}\left|P(z)\right|$ in Theorem 2.1, we get the following result. ###### Corollary 2.4. If $F\in\mathscr{P}_{n}$ and $F(z)$ have all its zeros in the disk $|z|\leq k,$ where $k>0$ then for $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,$ $|\beta|\leq 1,$ $R>r\geq k>0$ $\displaystyle\underset{|z|=1}{Min}\big{|}B[F\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[F\circ\rho](z)\big{|}$ (27) $\displaystyle\geq\frac{|B[z^{n}]|}{k^{n}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right|\underset{\left|z\right|=k}{Min}\left|P(z)\right|,$ where $\sigma(z)=Rz,$ $\rho(z)=rz$ and $\Phi_{k}(R,r,\alpha,\beta)$ is given by (18). The result is Sharp. If we take $\beta=0$ in (2.3), we get the following result. ###### Corollary 2.5. If $P\in\mathscr{P}_{n}$ then for $\alpha\in\mathbb{C}$ with $|\alpha|\leq 1,$ $R>r\geq k>0$ and $|z|\geq 1,$ (28) $\left|B[P\circ\sigma](z)-\alpha B[P\circ\rho](z)\right|\leq\frac{1}{k^{n}}\left|R^{n}-\alpha r^{n}\right||B[z^{n}]|\underset{\left|z\right|=k}{Max}\left|P(z)\right|$ where $\sigma(z)=Rz,$ $\rho(z)=rz.$ The result is best possible as shown by $P(z)=az^{n},a\neq 0.$ For polynomials $P\in\mathscr{P}_{n}$ having no zero in $|z|<k$, we establish the following result which leads to a compact generalization of inequality (3),(4),(1\. Introduction) and (12). ###### Theorem 2.6. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in the disk $|z|<k,$ where $k\leq 1,$ then for all $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,$ $|\beta|\leq 1$ , $R>r\geq k>0$ and $|z|\geq 1$, $\displaystyle\big{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}$ (29) $\displaystyle\leq\frac{1}{2}\bigg{[}\frac{|B[z^{n}]|}{k^{{}^{n}}}\big{|}R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\big{|}+\left|1+\Phi_{k}(R,r,\alpha,\beta)\right||\lambda_{0}|\bigg{]}\underset{\left|z\right|=k}{Max}\left|P(z)\right|$ where $\sigma(z)=Rz,$ $\rho(z)=rz$ and $\Phi_{k}(R,r,\alpha,\beta)$ is given by (18). ###### Proof of Theorem 2.6. Since $P(z)$ does not vanish in $|z|<k,\,\,k\leq 1$, by Lemma 1.3, we have for all $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,\,\,|\beta|\leq 1,$ $R>1$ and $|z|\geq 1,$ $\displaystyle\big{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}$ (30) $\displaystyle\leq k^{n}\left|B[Q\circ\tau](z)+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)\right|,$ where$\sigma(z)=Rz,$ $\rho(z)=rz,$ $\tau(z)=Rz/k^{2},$ $\eta(z)=rz/k^{2}$ and $Q(z)=z^{n}\overline{P(1/\overline{z})}.$ Inequality (2) in conjunction with Lemma 1.4 gives for all $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,\,\,|\beta|\leq 1,$ $R>r\geq k$ and $|z|\geq 1,$ $\displaystyle 2\big{|}$ $\displaystyle B[P\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}$ $\displaystyle\leq\big{|}B[P\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}+k^{n}\left|B[Q\circ\tau](z)]+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)\right|$ $\displaystyle\leq\left\\{|\lambda_{0}|\big{|}1+\Phi_{k}(R,r,\alpha,\beta)\big{|}+\frac{|B[z^{n}]|}{k^{n}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right|\right\\}|\underset{\left|z\right|=k}{Max}\left|P(z)\right|.$ This completes the proof of Theorem 2.6. ∎ We finally prove the following result, which is the refinement of Theorem 2.6. ###### Theorem 2.7. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in the disk $|z|<k,$ where $k\leq 1,$ then for all $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,$ $|\beta|\leq 1$ , $R>r\geq k>0$ and $|z|=1$, $\displaystyle\bigg{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\bigg{|}$ $\displaystyle\leq$ $\displaystyle\frac{1}{2}\Bigg{[}\bigg{\\{}\frac{|B[z^{n}]|}{k^{{}^{n}}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right|+\left|1+\Phi_{k}(R,r,\alpha,\beta)\right||\lambda_{0}|\bigg{\\}}\underset{\left|z\right|=k}{Max}\left|P(z)\right|$ (31) $\displaystyle-\bigg{\\{}\frac{|B[z^{n}]|}{k^{{}^{n}}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right|-\left|1+\Phi_{k}(R,r,\alpha,\beta)\right||\lambda_{0}|\bigg{\\}}\underset{\left|z\right|=k}{Min}\left|P(z)\right|\Bigg{]}$ where $\sigma(z)=Rz,$ $\rho(z)=rz$ and $\Phi_{k}(R,r,\alpha,\beta)$ is given by (18). ###### Proof of Theorem 2.7. Let $m=Min_{\left|z\right|=k}\left|P(z)\right|.$ If $P(z)$ has a zero on $|z|=k,$ then the result follows from Theorem 2.6. We assume that $P(z)$ has all its zeros in $|z|>k$ where $k\leq 1$ so that $m>0$. Now for every $\delta$ with $|\delta|<1$, it follows by Rouche’s theorem $h(z)=P(z)-\delta m$ does not vanish in $|z|<k$. Applying Lemma 1.3 to the polynomial $h(z),$ we get for all $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1$, $R>r\geq k$ and $|z|\geq 1$ $\left|B[h\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)B[h\circ\rho](z)\right|\leq k^{n}\left|B[q\circ\tau](z)]+\Phi_{k}(R,r,\alpha,\beta)B[q\circ\eta](z)]\right|,$ where $\sigma(z)=Rz,$ $\rho(z)=rz,$ $\tau(z)=Rz/k^{2},$ $\eta(z)=rz/k^{2}$ and $q(z)=z^{n}\overline{h(1/\overline{z})}=z^{n}\overline{P(1/\overline{z})}-\overline{\delta}mz^{n}$. Equivalently, $\displaystyle\big{|}B[P\circ\sigma](z)+$ $\displaystyle\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)-\delta\lambda_{0}\left(1+\Phi_{k}(R,r,\alpha,\beta)\right)m\big{|}$ $\displaystyle\leq$ $\displaystyle k^{n}\bigg{|}B[Q\circ\tau](z)+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)$ (32) $\displaystyle\,\,\,\,-\frac{\overline{\delta}}{k^{2n}}\left(R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right)mB[z^{n}]\bigg{|}$ where $Q(z)=z^{n}\overline{P(1/\overline{z})}.$ Since all the zeros of $Q(z/k^{2})$ lie in $|z|\leq k,$ $k\leq 1$ by Corollary 2.4 applied to $Q(z/k^{2})$, we have for $R>1$ and $|z|=1,$ $\displaystyle\big{|}B[Q\circ\tau](z)]+\Phi_{k}(R,r,\alpha,\beta)$ $\displaystyle B[Q\circ\eta](z)]\big{|}$ $\displaystyle\geq\frac{1}{k^{n}}\big{|}R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\big{|}|B[z^{n}]|\underset{|z|=k}{Min}Q(z/k^{2})$ (33) $\displaystyle=\frac{1}{k^{2n}}\big{|}R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\big{|}|B[z^{n}]|m.$ Now, choosing the argument of $\delta$ on the right hand side of inequality (2) such that $\displaystyle k^{n}$ $\displaystyle\bigg{|}B[Q\circ\tau](z)+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)-\frac{\overline{\delta}}{k^{2n}}\left(R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right)mB[z^{n}]\bigg{|}$ $\displaystyle=$ $\displaystyle k^{n}\big{|}B[Q\circ\tau](z)+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)\big{|}-\frac{1}{k^{n}}\big{|}R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\big{|}|B[z^{n}]|m.$ for $|z|=1,$ which is possible by inequality (2). We get for $|z|=1$ , $\displaystyle\big{|}B[P\circ\sigma](z)+\Phi_{k}(R,r,\alpha,\beta)$ $\displaystyle B[P\circ\rho](z)\big{|}-|\delta||\lambda_{0}||1+\Phi_{k}(R,r,\alpha,\beta)\big{|}m$ $\displaystyle\leq k^{n}\big{|}B[Q\circ\tau](z)$ $\displaystyle+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)\big{|}$ (34) $\displaystyle\,\,\,\,-\frac{|\delta|}{k^{n}}\big{|}R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\big{|}|B[z^{n}]|m.$ Equivalently for $|z|=1,R>r\geq k$, we have $\displaystyle\big{|}B[P\circ\sigma](z)$ $\displaystyle+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}-k^{n}\big{|}B[Q\circ\tau](z)]+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)]\big{|}$ (35) $\displaystyle\leq|\delta|\left\\{|\lambda_{0}||1+\Phi_{k}(R,r,\alpha,\beta)\big{|}-\frac{1}{k^{n}}\big{|}R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\big{|}|B[z^{n}]|\right\\}m.$ Letting $|\delta|\rightarrow 1$ in inequality (2), we obtain for all $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1,R>r\geq k$ and $|z|=1,$ $\displaystyle\big{|}B[P\circ\sigma](z)$ $\displaystyle+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}-k^{n}\big{|}B[Q\circ\tau](z)+\Phi_{k}(R,r,\alpha,\beta)B[Q\circ\eta](z)\big{|}$ (36) $\displaystyle\leq\left\\{|\lambda_{0}||1+\Phi_{k}(R,r,\alpha,\beta)\big{|}-\frac{1}{k^{n}}\big{|}R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\big{|}|B[z^{n}]|\right\\}m.$ Inequality (2) in conjunction with Lemma 1.4 gives for all $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,$ $|\beta|\leq 1,R>1$ and $|z|=1,$ $\displaystyle 2\big{|}B[P\circ\sigma](z)$ $\displaystyle+\Phi_{k}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{|}$ $\displaystyle\leq$ $\displaystyle\left\\{|\lambda_{0}|\big{|}1+\Phi_{k}(R,r,\alpha,\beta)\big{|}+\frac{1}{k^{n}}\left|R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\right||B[z^{n}]|\right\\}|\underset{|z|=k}{Max}|P(z)|$ $\displaystyle+\left\\{|\lambda_{0}||1+\Phi_{k}(R,r,\alpha,\beta)\big{|}-\frac{1}{k^{n}}\big{|}R^{n}+r^{n}\Phi_{k}(R,r,\alpha,\beta)\big{|}|B[z^{n}]|\right\\}\underset{|z|=k}{Min}|P(z)|.$ which is equivalent to inequality (2.7) and thus completes the proof of theorem 2.7. ∎ If we take $\alpha=0,$ we get the following. ###### Corollary 2.8. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $|z|<k$ where $k\leq 1,$ then for all $\beta\in\mathbb{C}$ with $|\beta|\leq 1$ , $R>r\geq k$ and $|z|=1$, $\displaystyle\bigg{|}B[P\circ\sigma](z)$ $\displaystyle+\beta\left(\frac{R+k}{k+r}\right)^{n}B[P\circ\rho](z)\bigg{|}$ $\displaystyle\leq$ $\displaystyle\frac{1}{2}\Bigg{[}\Bigg{\\{}\frac{|B[z^{n}]|}{k^{n}}\left|R^{n}+r^{n}\beta\left(\frac{R+k}{k+1}\right)^{n}\right|+\left|1+\beta\left(\frac{R+k}{k+1}\right)^{n}\right||\lambda_{0}|\bigg{\\}}\underset{\left|z\right|=k}{Max}\left|B[P](z)\right|$ (37) $\displaystyle-\bigg{\\{}\frac{|B[z^{n}]|}{k^{n}}\left|R^{n}+r^{n}\beta\left(\frac{R+k}{k+1}\right)^{n}\right|-\left|1+\beta\left(\frac{R+k}{k+1}\right)^{n}\right||\lambda_{0}|\bigg{\\}}\underset{\left|z\right|=k}{Min}\left|B[P](z)\right|\Bigg{]}$ where $\sigma(z)=Rz$ and $\rho(z)=rz.$ For $\beta=0,$ Theorem 2.6 reduces to the following result. ###### Corollary 2.9. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $|z|<k$ where $k\leq 1,$ then for all $\alpha\in\mathbb{C}$ with $|\alpha|\leq 1,$ $R>r\geq k$ and $|z|=1$, $\displaystyle\left|B[P\circ\sigma](z)-\alpha B[P\circ\rho](z)\right|$ $\displaystyle\leq\frac{1}{2}\Bigg{[}\left\\{\frac{|B[z^{n}]|}{k^{n}}\left|R^{n}-\alpha r^{n}\right|+\left|1-\alpha\right||\lambda_{0}|\right\\}\underset{\left|z\right|=k}{Max}\left|P(z)\right|$ (38) $\displaystyle-\left\\{\frac{|B[z^{n}]|}{k^{n}}\left|R^{n}-\alpha r^{n}\right|-\left|1-\alpha\right||\lambda_{0}|\right\\}\underset{\left|z\right|=k}{Min}\left|P(z)\right|\Bigg{]}$ where $\sigma(z)=Rz$ and $\rho(z)=rz.$ The result is sharp and extremal polynomial is $P(z)=az^{n}+b,|a|=|b|\neq 0.$ ## References * [1] N. C. ANKENY and T. J. RIVLIN, On a theorm of S.Bernstein, Pacific J. Math., 5 (1955), 849 - 852. * [2] A. AZIZ and Q. M. DAWOOD, Inequalities for a polynomial and its derivatives, J. Approx. Theory 54 (1998), 306 -311. * [3] A. AZIZ and N. A. RATHER, Some compact generalization of Bernstien-type inequalities for polynomials, Math. Inequal. Appl., 7(3) (2004), 393 - 403. * [4] A. AZIZ and B. A. ZARGAR, Inequalities for a polynomial and its derivatives, Math. Inequal. Appl., 1 (1998), 263-270. * [5] P. D. LAX, Proof of a conjecture of P.Erdös on the derivative of a polynomial, Bull. Amer. Math. Soc., 50 (1944), 509-513. * [6] M. MARDEN, Geometry of Polynomials, Math. Surves No. 3, Amer. Math. Soc., Providence, R I (1966). * [7] G. V. MILOVANOVIC, D. S. MITRINOVIC and TH. M. RASSIAS, Topics in Polynomials: Extremal Properties, Inequalities, Zeros, World scientific Publishing Co., Singapore, (1994). * [8] G. PÓLYA an G. SZEGÖ, Aufgaben und lehrsätze aus der Analysis, Springer-Verlag, Berlin (1925). * [9] Q. I. RAHMAN, Functions of exponential type, Trans. Amer. Soc., 135(1969), 295 – 309 * [10] Q. I. RAHMAN and G. SCHMESSIER, Analytic theory of polynomials, Claredon Press, Oxford, 2002. * [11] A. C. 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arxiv-papers
2013-03-30T05:01:38
2024-09-04T02:49:43.640328
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "N. A. Rather and Suhail Gulzar", "submitter": "Suhail Gulzar Mattoo Suhail Gulzar", "url": "https://arxiv.org/abs/1304.0067" }
1304.0138
# Differential equations and logarithmic intertwining operators for strongly graded vertex algebras Jinwei Yang ###### Abstract We derive certain systems of differential equations for matrix elements of products and iterates of logarithmic intertwining operators among strongly graded generalized modules for a strongly graded conformal vertex algebra under suitable assumptions. Using these systems of differential equations, we verify the convergence and extension property needed in the logarithmic tensor category theory for such strongly graded generalized modules developed by Huang, Lepowsky and Zhang. ## 1 Introduction In the present paper, we generalize the arguments in [H] and [HLZ] to prove that for a strongly graded conformal vertex algebra $V$, matrix elements of products and iterates of logarithmic intertwining operators among triples of strongly graded generalized $V$-modules under suitable assumptions satisfy certain systems of differential equations and that the prescribed singular points are regular. Using these differential equations, we verify the convergence and extension property needed in the theory of logarithmic tensor categories for strongly graded generalized $V$-modules in [HLZ]. Consequently, under certain assumptions on the strongly graded generalized modules for a strongly graded conformal vertex algebra $V$, we obtain a natural structure of braided tensor category on the category of strongly graded generalized $V$-modules using the main result of [HLZ]. The notion of strongly graded conformal vertex algebra and the notion of its strongly graded module were introduced in [HLZ] as natural concepts from which the theory of logarithmic tensor categories was developed. A strongly $A$-graded conformal vertex algebra $V$ (respectively, a strongly $\tilde{A}$-graded $V$-module) is a vertex algebra (respectively, a $V$-module), with a weight-grading provided by a conformal vector in $V$ (an $L(0)$-eigenspace decomposition), and with a second, compatible grading by an abelian group $A$ (respectively, an abelian group $\tilde{A}$ containing $A$ as its subgroup), satisfying certain grading restriction conditions. One important source of examples of strongly graded conformal vertex algebras and modules comes from the vertex algebras and modules associated with not necessarily positive definite even lattices. In particular, the tensor products of vertex operator algebras and the vertex algebras associated with even lattices are strongly graded conformal vertex algebras (see [Y]). In [B1], Borcherds used the vertex algebra associated with the self-dual Lorentzian lattice of rank $2$ and its tensor product with $V^{\natural}$ to construct the “Monster” Lie algebra. It was proved in [H] that if every module $W$ for a vertex operator algebra $V=\coprod_{n\in\mathbb{Z}}V_{(n)}$ satisfies the $C_{1}$-cofiniteness condition, that is, dim $W/C_{1}(W)<\infty$, where $C_{1}(W)$ is the subspace of $W$ spanned by elements of the form $u_{-1}w$ for $u\in V_{+}=\coprod_{n>0}V_{(n)}$ and $w\in W$, then matrix elements of products and iterates of intertwining operators among triples of $V$-modules satisfy certain systems of differential equations. Moreover, for prescribed singular points, there exist such systems of differential equations such that the prescribed singular points are regular. In Section $11$ of [HLZ] (Part VII), using the same argument as in [H], certain systems of differential equations were derived for matrix elements of products and iterates of logarithmic intertwining operators among triples of generalized $V$-modules. In this paper, we prove similar, more general results for matrix elements of products and iterates of logarithmic intertwining operators among triples of strongly graded generalized modules for a strongly graded vertex algebra. In the present paper, we generalize the $C_{1}$-cofiniteness condition for generalized modules for a vertex operator algebra to a $C_{1}$-cofiniteness condition for strongly graded generalized modules for a strongly graded vertex algebra. That is, every strongly graded generalized $\tilde{A}$-module $W$ for a strongly $A$-graded vertex algebra $V$ satisfies the condition dim $W^{(\beta)}/(C_{1}(W))^{(\beta)}<\infty$ where $C_{1}(W)$ is the subspace of $W$ spanned by elements of the form $u_{-1}w$ for $u\in V_{+}=\coprod_{n>0}V_{(n)}$ and $w\in W$, $W^{(\beta)}$ and $(C_{1}(W))^{(\beta)}$ are $\tilde{A}$-homogeneous subspace of $W$ and $C_{1}(W)$ with $\tilde{A}$-grading $\beta$ for $\beta\in\tilde{A}$. Furthermore, let $V_{0}$ be a strongly graded vertex subalgebra of $V$, the $C_{1}$-cofiniteness condition for $W$ as a $V_{0}$-module implies the $C_{1}$-cofiniteness condition for $W$ as a $V$-module. In particular, the case that $W$ satisfies $C_{1}$-cofiniteness condition as a module for $V^{(0)}$—the $A$-homogeneous subspace of $V$ with $A$-weight $0$—is the same as the case that $W$ satisfies $C_{1}$-cofiniteness condition as a vertex operator algebra module. The key step in deriving systems of differential equations in [H] is to construct a finitely generated $R=\mathbb{C}[z_{1}^{\pm 1},z_{2}^{\pm 1},(z_{1}-z_{2})^{-1}]$-module that is a quotient module of the tensor product of $R$ and a quadruple of modules for a vertex operator algebra. However, for a strongly graded conformal vertex algebra, the quotient module constructed in the same way is not finitely generated since there are infinitely many $\tilde{A}$-homogeneous subspaces in the strongly graded generalized modules. In order to obtain a finitely generated quotient module, we assume that fusion rules for triples of certain $\tilde{A}$-homogeneous subspaces of strongly graded generalized $V$-modules viewed as $V^{(0)}$-modules are zero for all but finitely many triples of such $\tilde{A}$-homogeneous subspaces. Under the assumption on the fusion rules for triples of certain $\tilde{A}$-homogeneous subspaces and the $C_{1}$-cofiniteness condition for the strongly graded generalized modules, we construct a natural map from a finitely generated $R$-module to the set of matrix elements of products and iterates of logarithmic intertwining operators among triples of strongly graded generalized $V$-modules. The images of certain elements under this map provide systems of differential equations for the matrix elements of products and iterates of logarithmic intertwining operators, as a consequence of the $L(-1)$-derivative property for the logarithmic intertwining operators. Moreover, for any prescribed singular point, we derive certain systems of differential equations such that this prescribed singular point is regular. Using these systems of differential equations, we verify the convergence and extension property needed in the construction of associativity isomorphism for the logarithmic tensor category structure developed in [HLZ]. Consequently, if all the assumptions mentioned above are satisfied, we obtain a braided tensor category structure on the category of strongly graded generalized $V$-modules. The present paper is organized as follows: In section $2$, we recall the definitions and some basic properties of strongly graded vertex algebras and their strongly graded generalized modules. The $C_{1}$-cofiniteness condition for strongly graded generalized modules is introduced in section $3$ and the definitions of logarithmic intertwining operators among strongly graded generalized modules is recalled in section $4$. The existence of systems of differential equations and the existence of systems with regular prescribed singular points are established in section $5$ and $6$, respectively. In section $7$, we prove the convergence and extension property for products and iterates of logarithmic intertwining operators among strongly graded generalized modules for a strongly graded vertex algebra. Consequently, we obtain the braided tensor category structure on the category of strongly graded generalized modules generalizing the results in [HLZ]. Acknowledgements I would like to thank Professor Yi-Zhi Huang and Professor James Lepowsky for helpful discussions and suggestions. ## 2 Strongly graded vertex algebras and their modules In this section, we recall the basic definitions from [HLZ] (cf. [Y]). ###### Definition 2.1 A conformal vertex algebra is a ${\mathbb{Z}}$-graded vector space $V=\coprod_{n\in{\mathbb{Z}}}V_{(n)}$ equipped with a linear map: $\displaystyle V$ $\displaystyle\to$ $\displaystyle({\rm End}\;V)[[x,x^{-1}]]$ $\displaystyle v$ $\displaystyle\mapsto$ $\displaystyle Y(v,x)={\displaystyle\sum_{n\in{\mathbb{Z}}}}v_{n}x^{-n-1},$ and equipped also with two distinguished vectors: vacuum vector ${\bf 1}\in V_{(0)}$ and conformal vector $\omega\in V_{(2)}$, satisfying the following conditions for $u,v\in V$: * • the lower truncation condition: $u_{n}v=0\;\;\mbox{\; for}\;\;n\mbox{ \;sufficiently\; large};$ * • the vacuum property: $Y({\bf 1},x)=1_{V};$ * • the creation property: $Y(v,x){\bf 1}\in V[[x]]\;\;\mbox{ and }\;\lim_{x\rightarrow 0}Y(v,x){\bf 1}=v;$ * • the Jacobi identity (the main axiom): $\displaystyle x_{0}^{-1}\delta\bigg{(}{\displaystyle\frac{x_{1}-x_{2}}{x_{0}}}\bigg{)}Y(u,x_{1})Y(v,x_{2})-x_{0}^{-1}\delta\bigg{(}{\displaystyle\frac{x_{2}-x_{1}}{-x_{0}}}\bigg{)}Y(v,x_{2})Y(u,x_{1})$ $\displaystyle=x_{2}^{-1}\delta\bigg{(}{\displaystyle\frac{x_{1}-x_{0}}{x_{2}}}\bigg{)}Y(Y(u,x_{0})v,x_{2});$ * • the Virasoro algebra relations: $[L(m),L(n)]=(m-n)L(m+n)+{\displaystyle\frac{1}{12}}(m^{3}-m)\delta_{n+m,0}c$ for $m,n\in{\mathbb{Z}}$, where $L(n)=\omega_{n+1}\;\;\mbox{ for }\;n\in{\mathbb{Z}},\;\;\mbox{i.e.},\;\;Y(\omega,x)=\sum_{n\in{\mathbb{Z}}}L(n)x^{-n-2},$ $c\in{\mathbb{C}}\;\;\;(\mbox{central charge of}\;V);$ satisfying the $L(-1)$-derivative property: ${\displaystyle\frac{d}{dx}}Y(v,x)=Y(L(-1)v,x);$ and $L(0)v=nv=(\mbox{\rm wt}\ v)v\;\;\mbox{ for }\;n\in{\mathbb{Z}}\;\mbox{ and }\;v\in V_{(n)}.$ This completes the definition of the notion of conformal vertex algebra. We will denote such a conformal vertex algebra by $(V,Y,{\bf 1},\omega)$. ###### Definition 2.2 Given a conformal vertex algebra $(V,Y,{\bf 1},\omega)$, a module for $V$ is a ${\mathbb{C}}$-graded vector space $W=\coprod_{n\in{\mathbb{C}}}W_{(n)}$ (2.1) equipped with a linear map $\displaystyle V$ $\displaystyle\rightarrow$ $\displaystyle(\mbox{End}\ W)[[x,x^{-1}]]$ $\displaystyle v$ $\displaystyle\mapsto$ $\displaystyle Y(v,x)=\sum_{n\in{\mathbb{Z}}}v_{n}x^{-n-1}$ such that the following conditions are satisfied: * • the lower truncation condition: for $v\in V$ and $w\in W$, $v_{n}w=0\;\;\mbox{ for }\;n\;\mbox{ sufficiently large};$ * • the vacuum property: $Y(\mbox{\bf 1},x)=1_{W};$ * • the Jacobi identity for vertex operators on $W$: for $u,v\in V$, $\displaystyle{\displaystyle x^{-1}_{0}\delta\bigg{(}{x_{1}-x_{2}\over x_{0}}\bigg{)}Y(u,x_{1})Y(v,x_{2})-x^{-1}_{0}\delta\bigg{(}{x_{2}-x_{1}\over- x_{0}}\bigg{)}Y(v,x_{2})Y(u,x_{1})}$ $\displaystyle{\displaystyle=x^{-1}_{2}\delta\bigg{(}{x_{1}-x_{0}\over x_{2}}\bigg{)}Y(Y(u,x_{0})v,x_{2})};$ * • the Virasoro algebra relations on $W$ with scalar $c$ equal to the central charge of $V$: $[L(m),L(n)]=(m-n)L(m+n)+{\displaystyle\frac{1}{12}}(m^{3}-m)\delta_{n+m,0}c$ for $m,n\in{\mathbb{Z}}$, where $L(n)=\omega_{n+1}\;\;\mbox{ for }n\in{\mathbb{Z}},\;\;{\rm i.e.},\;\;Y(\omega,x)=\sum_{n\in{\mathbb{Z}}}L(n)x^{-n-2};$ satisfying the $L(-1)$-derivative property $\displaystyle\frac{d}{dx}Y(v,x)=Y(L(-1)v,x);$ and $(L(0)-n)w=0\;\;\mbox{ for }\;n\in{\mathbb{C}}\;\mbox{ and }\;w\in W_{(n)}.$ (2.2) This completes the definition of the notion of module for a conformal vertex algebra. ###### Definition 2.3 A generalized module for a conformal vertex algebra is defined in the same way as a module for a conformal vertex algebra except that in the grading (2.1), each space $W_{(n)}$ is replaced by $W_{[n]}$, where $W_{[n]}$ is the generalized $L(0)$-eigenspace corresponding to the generalized eigenvalue $n\in\mathbb{C}$; that is, (2.1) and (2.2) in the definition are replaced by $W=\coprod_{n\in{\mathbb{C}}}W_{[n]}$ and ${\rm for}\ n\in\mathbb{C}\ {\rm and}\ w\in W_{[n]},\ (L(0)-n)^{k}w=0,\ {\rm for}\ k\in\mathbb{N}\ {\rm sufficiently\ large},$ respectively. For $w\in W_{[n]}$, we still write wt $w=n$ for the generalized weight of $w$. ###### Definition 2.4 Let $A$ be an abelian group. A conformal vertex algebra $V=\coprod_{n\in{\mathbb{Z}}}V_{(n)}$ is said to be strongly graded with respect to $A$ (or strongly $A$-graded, or just strongly graded if the abelian group $A$ is understood) if it is equipped with a second gradation, by $A$, $V=\coprod_{\alpha\in A}V^{(\alpha)},$ such that the following conditions are satisfied: the two gradations are compatible, that is, $V^{(\alpha)}=\coprod_{n\in{\mathbb{Z}}}V^{(\alpha)}_{(n)},\;\;\mbox{where}\;V^{(\alpha)}_{(n)}=V_{(n)}\cap V^{(\alpha)}\;\mbox{ for any }\;\alpha\in A;$ for any $\alpha,\beta\in A$ and $n\in{\mathbb{Z}}$, $\displaystyle V^{(\alpha)}_{(n)}=0\;\;\mbox{ for }\;n\;\mbox{ sufficiently negative};$ $\displaystyle\dim V^{(\alpha)}_{(n)}<\infty;$ $\displaystyle{\bf 1}\in V^{(0)}_{(0)};\;\;\;\;\omega\in V^{(0)}_{(2)};$ $\displaystyle v_{l}V^{(\beta)}\subset V^{(\alpha+\beta)}\;\;\mbox{ for any }\;v\in V^{(\alpha)},\;l\in{\mathbb{Z}}.$ This completes the definition of the notion of strongly $A$-graded conformal vertex algebra. For modules for a strongly graded algebra we will also have a second grading by an abelian group, and it is natural to allow this group to be larger than the second grading group $A$ for the algebra. (Note that this already occurs for the first grading group, which is ${\mathbb{Z}}$ for algebras and ${\mathbb{C}}$ for modules.) ###### Definition 2.5 Let $A$ be an abelian group and $V$ a strongly $A$-graded conformal vertex algebra. Let $\tilde{A}$ be an abelian group containing $A$ as a subgroup. A $V$-module (respectively, generalized $V$-module) $W=\coprod_{n\in{\mathbb{C}}}W_{(n)}\;\;(\mbox{respectively, }\;W^{(\beta)}=\coprod_{n\in{\mathbb{C}}}W_{[n]})$ is said to be strongly graded with respect to $\tilde{A}$ (or strongly $\tilde{A}$-graded, or just strongly graded) if the abelian group $\tilde{A}$ is understood) if it is equipped with a second gradation, by $\tilde{A}$, $W=\coprod_{\beta\in\tilde{A}}W^{(\beta)},$ such that the following conditions are satisfied: the two gradations are compatible, that is, for any $\beta\in\tilde{A}$, $W^{(\beta)}=\coprod_{n\in{\mathbb{C}}}W^{(\beta)}_{(n)},\;\;\mbox{where }\;W^{(\beta)}_{(n)}=W_{(n)}\cap W^{(\beta)}$ $(\mbox{respectively, }\;W^{(\beta)}=\coprod_{n\in{\mathbb{C}}}W^{(\beta)}_{[n]},\;\;\mbox{where }\;W^{(\beta)}_{[n]}=W_{[n]}\cap W^{(\beta)});$ for any $\alpha\in A$, $\beta\in\tilde{A}$ and $n\in{\mathbb{C}}$, $\displaystyle W^{(\beta)}_{(n+k)}=0\;\;(\mbox{respectively, }\;W^{(\beta)}_{[n+k]}=0)\;\;\mbox{ for }\;k\in{\mathbb{Z}}\;\mbox{ sufficiently negative};$ (2.3) $\displaystyle\dim W^{(\beta)}_{(n)}<\infty\;\;(\mbox{respectively, }\;\dim W^{(\beta)}_{[n]}<\infty);$ $\displaystyle v_{l}W^{(\beta)}\subset W^{(\alpha+\beta)}\;\;\mbox{ for any }\;v\in V^{(\alpha)},\;l\in{\mathbb{Z}}.$ A strongly $\tilde{A}$-graded (generalized) $V$-module $W$ is said to be lower bounded if instead of (2.3), it satisfies the stronger condition that for any $\beta\in\tilde{A}$, $W_{(n)}^{(\beta)}=0\;\;(\mbox{respectively,}\;W_{[n]}^{(\beta)}=0)\;\;\mbox{for}\;\;n\in\mathbb{C}\;\;\mbox{and}\;\;\mathfrak{R}(n)\;\;\mbox{sufficiently negative}.$ This completes the definition of the notion of strongly $\tilde{A}$-graded generalized module for a strongly $A$-graded conformal vertex algebra. ###### Remark 2.6 In the strongly graded case, subalgebras (submodules) are vertex subalgebras (submodules) that are strongly graded; algebra and module homomorphisms are of course understood to preserve the grading by $A$ or $\tilde{A}$. With the strong gradedness condition on a (generalized) module, we can now define the corresponding notion of contragredient module. ###### Definition 2.7 Let $W=\coprod_{\beta\in\tilde{A},n\in\mathbb{C}}W_{[n]}^{(\beta)}$ be a strongly $\tilde{A}$-graded generalized module for a strongly $A$-graded conformal vertex algebra. For each $\beta\in\tilde{A}$ and $n\in\mathbb{C}$, let us identify $(W_{[n]}^{(\beta)})^{*}$ with the subspace of $W^{*}$ consisting of the linear function on $W$ vanishing on each $W_{[n]}^{(\gamma)}$ with $\gamma\neq\beta$ or $m\neq n$. We define $W^{\prime}$ to be the $(\tilde{A}\times\mathbb{C})$-graded vector subspaces of $W^{*}$ given by $W^{\prime}=\coprod_{\beta\in\tilde{A},n\in\mathbb{C}}(W^{\prime})_{[n]}^{(\beta)},\;\;\mbox{where}\;\;(W^{\prime})_{[n]}^{(\beta)}=(W_{[n]}^{(-\beta)})^{*}.$ The adjoint vertex operators $Y^{\prime}(v,z)\;(v\in V)$ on $W^{\prime}$ is defined in the same way as vertex operator algebra in section 5.2 in [FHL] (see Section $2$ of [HLZ]). The pair $(W^{\prime},Y^{\prime})$ carries a strongly graded module structure as follow: ###### Proposition 2.8 Let $\tilde{A}$ be an abelian group containing $A$ as a subgroup and $V$ a strongly $A$-graded conformal vertex algebra. Let $(W,Y)$ be a strongly $\tilde{A}$-graded $V$-module (respectively, generalized $V$-module). Then the pair $(W^{\prime},Y^{\prime})$ carries a strongly $\tilde{A}$-graded $V$-module (respectively, generalized $V$-module) structure. If $W$ is lower bounded, so is $W^{\prime}$. ###### Definition 2.9 The pair $(W^{\prime},Y^{\prime})$ is called the contragredient module of $(W,Y)$. ###### Example 2.10 Note that the notion of conformal vertex algebra strongly graded with respect to the trivial group is exactly the notion of vertex operator algebra. Let $V$ be a vertex operator algebra, viewed (equivalently) as a conformal vertex algebra strongly graded with respect to the trivial group. Then the $V$-modules that are strongly graded with respect to the trivial group (in the sense of Definition 2.5) are exactly the ($\mathbb{C}$-graded) modules for $V$ as a vertex operator algebra, with the grading restrictions as follows: For $n\in\mathbb{C}$, $W_{(n+k)}=0\;\;\mbox{ for }\;k\in{\mathbb{Z}}\;\mbox{ sufficiently negative}$ and $\dim W_{(n)}<\infty.$ ###### Example 2.11 An important source of examples of strongly graded conformal vertex algebras and modules comes from the vertex algebras and modules associated with even lattices. We recall the following construction from [FLM]. Let $L$ be an even lattice, i.e., a finite-rank free abelian group equipped with a nondegenerate symmetric bilinear form $\langle\cdot,\cdot\rangle$, not necessarily positive definite, such that $\langle\alpha,\alpha\rangle\in 2{\mathbb{Z}}$ for all $\alpha\in L$. Let $\mathfrak{h}=L\otimes_{\mathbb{Z}}\mathbb{C}$. Then $\mathfrak{h}$ is a vector space with a nonsingular bilinear form $\langle\cdot,\cdot\rangle$, extended from $L$. We form a Heisenberg algebra $\widehat{\mathfrak{h}}_{\mathbb{Z}}=\coprod_{n\in\mathbb{Z},\ n\neq 0}\mathfrak{h}\otimes t^{n}\oplus\mathbb{C}c.$ Let $(\widehat{L},\bar{}\ )$ be a central extension of $L$ by a finite cyclic group $\langle\kappa\;|\;\kappa^{s}=1\rangle$. Fix a primitive $s$th root of unity, say $\omega$, and define the faithful character $\chi:\langle\kappa\rangle\rightarrow\mathbb{C}^{*}$ by the condition $\chi(\kappa)=\omega.$ Denote by $\mathbb{C}_{\chi}$ the one-dimensional space $\mathbb{C}$ viewed as a $\langle\kappa\rangle$-module on which $\langle\kappa\rangle$ acts according to $\chi$: $\kappa\cdot 1=\omega,$ and denote by $\mathbb{C}\\{L\\}$ the induced $\widehat{L}$-module $\mathbb{C}\\{L\\}={\rm Ind}^{\widehat{L}}_{\langle\kappa\rangle}\mathbb{C}_{\chi}=\mathbb{C}[\widehat{L}]\otimes_{\mathbb{C}[\langle\kappa\rangle]}\mathbb{C}_{\chi}.$ Then $V_{L}=S(\widehat{\mathfrak{h}}_{\mathbb{Z}}^{-})\otimes\mathbb{C}\\{L\\}$ has a natural structure of conformal vertex algebra; see [B1] and Chapter 8 of [FLM]. For $\alpha\in L$, choose an $a\in\widehat{L}$ such that $\bar{a}=\alpha$. Define $\iota(a)=a\otimes 1\in\mathbb{C}\\{L\\}$ and $V_{L}^{(\alpha)}=\mbox{span}\;\\{h_{1}(-n_{1})\cdots h_{k}(-n_{k})\otimes\iota(a)\\},$ where $h_{1},\dots,h_{k}\in\mathfrak{h}$, $n_{1},\dots,n_{k}>0$, and where $h(n)$ is the natural operator associated with $h\otimes t^{n}$ via the $\hat{\mathfrak{h}}_{\mathbb{Z}}$-module structure of $V_{L}$. Then $V_{L}$ is equipped with a natural second grading given by $L$ itself. Also for $n\in\mathbb{Z}$, we have $(V_{L})_{(n)}^{(\alpha)}={\rm span}\ \\{h_{1}(-n_{1})\cdots h_{k}(-n_{k})\otimes\iota(a)|\ \bar{a}=\alpha,\sum_{i=1}^{k}n_{i}+\frac{1}{2}\langle\alpha,\alpha\rangle=n\\},$ making $V_{L}$ a strongly $L$-graded conformal vertex algebra in the sense of definition 2.4. When the form $\langle\cdot,\cdot\rangle$ on $L$ is also positive definite, then $V_{L}$ is a vertex operator algebra, that is, as in example 2.10, $V_{L}$ is a strongly $A$-graded conformal vertex algebra for $A$ the trivial group. In general, a conformal vertex algebra may be strongly graded for several choinces of $A$. Any sublattice $M$ of the “dual lattice” $L^{\circ}$ of $L$ containing $L$ gives rise to a strongly $M$-graded module for the strongly $L$-graded conformal vertex algebra (see Chapter 8 of [FLM]; cf. [LL]). In fact, any irreducible (generalized) $V_{L}$-module is equivalent to a $V_{L}$-module of the form $V_{L+\beta}\subset V_{L^{\circ}}$ for some $\beta\in L^{\circ}$ and any (generalized) $V_{L}$-module $W$ is equivalent to a direct sum of irreducible $V_{L}$-modules. i.e., $W=\coprod_{\gamma_{i}\in L^{\circ},\ i=1,\dots,n}V_{\gamma_{i}+L},$ where $\gamma_{i}$’s are arbitrary elements of $L^{\circ}$, and $n\in\mathbb{N}$ (see [D], [DLM]; cf. [LL]). ###### Definition 2.12 Let $V$ be a strongly $A$-graded conformal vertex algebra. The subspaces $V_{(n)}^{(\alpha)}$ for $n\in\mathbb{Z}$, $\alpha\in A$ are called the doubly homogeneous subspaces of $V$. The elements in $V_{(n)}^{(\alpha)}$ are called doubly homogeneous elements. Similar definitions can be used for $W^{(\beta)}_{(n)}$ (respectively, $W^{(\beta)}_{[n]}$) in the strongly graded (generalized) module $W$. ###### Notation 2.13 Let $v$ be a doubly homogeneous element of $V$. Let wt $v_{n}$, $n\in\mathbb{Z}$, refer to the weight of $v_{n}$ as an operator acting on $W$, and let $A$-wt $v_{n}$ refer to the $A$-weight of $v_{n}$ on $W$. Similarly, let $w$ be a doubly homogeneous element of $W$. We use wt $w$ to denote the weight of $w$ and $\tilde{A}$-wt $w$ to denote the $\tilde{A}$-grading of $w$. ###### Lemma 2.14 Let $v\in V^{(\alpha)}_{(n)}$, for $n\in\mathbb{Z}$, $\alpha\in A$. Then for $m\in\mathbb{Z}$, wt$\ v_{m}$ = $n-m-1$ and $A$-wt$\ v_{m}=\alpha$. Proof. The first equation is standard from the theory of graded conformal vertex algebras and the second follows easily from the definitions. ## 3 $C_{1}$-cofiniteness condition In this section, we will let $V$ denote a strongly $A$-graded conformal vertex algebra and let $W$ denote a strongly $\tilde{A}$-graded lower bounded (generalized) $V$-module, where $A$, $\tilde{A}$ are abelian groups such that $A\subset\tilde{A}$. In the following definition, we generalize the $C_{1}$-cofiniteness condition for the (generalized) modules for a vertex operator algebra to a $C_{1}$-cofiniteness condition for the strongly graded (generalized) modules for a strongly graded conformal vertex algebra. ###### Definition 3.1 Let $C_{1}(W)$ be the subspace of $W$ spanned by elements of the form $u_{-1}w$ for $u\in V_{+}=\coprod_{n>0}V_{(n)}$ and $w\in W$. The $\tilde{A}$-grading on $W$ induces a $\tilde{A}$-grading on $W/C_{1}(W)$ with $(W/C_{1}(W))^{(\beta)}=W^{(\beta)}/(C_{1}(W))^{(\beta)}.$ If dim $(W/C_{1}(W))^{(\beta)}<\infty$ for $\beta\in\tilde{A}$, we say that $W$ is $C_{1}$-cofinite or $W$ satisfies the $C_{1}$-cofiniteness condition. ###### Remark 3.2 Let $V_{0}$ be a conformal vertex subalgebra of $V$ strongly graded with respect to $A_{0}\subset A$. We can also define $C_{1}$-cofiniteness condition for $W$ as a strongly graded (generalized) $V_{0}$-module. If $W$ is $C_{1}$-cofinite as a strongly graded (generalized) $V_{0}$-module. Then $W$ is $C_{1}$-cofinite as a strongly graded (generalized) $V$-module. ###### Example 3.3 Let $V_{L}$ be the conformal vertex algebra associated with a nondegenerate even lattice $L$ and let $W$ be a (generalized) $V_{L}$-module as in Example 2.11. Then the strongly graded (generalized) $V_{L}$-module $W$ satisfies the $C_{1}$-cofiniteness condition as a $V_{L}^{(0)}$-module. Thus $W$ is also $C_{1}$-cofinite as a strongly graded $V_{L}$-module. ## 4 Logarithmic intertwining operators Throughout this paper, we shall use $x,x_{0},x_{1},x_{2},\dots$ to denote commuting formal variables and $z,z_{0},z_{1},z_{2},\dots$ to denote complex variables or complex numbers. We first recall the following definitions from [HLZ]. ###### Definition 4.1 Let $(W_{1},Y_{1})$, $(W_{2},Y_{2})$ and $(W_{3},Y_{3})$ be generalized modules for a conformal vertex algebra $V$. A logarithmic intertwining operator of type ${W_{3}\choose W_{1}\,W_{2}}$ is a linear map ${\cal Y}(\cdot,x)\cdot:W_{1}\otimes W_{2}\to W_{3}[\log x]\\{x\\},$ (4.1) or equivalently, $w_{(1)}\otimes w_{(2)}\mapsto{\cal Y}(w_{(1)},x)w_{(2)}=\sum_{n\in{\mathbb{C}}}\sum_{k\in{\mathbb{N}}}{w_{(1)}}_{n;\,k}^{\cal Y}w_{(2)}x^{-n-1}(\log x)^{k}\in W_{3}[\log x]\\{x\\}$ (4.2) for all $w_{(1)}\in W_{1}$ and $w_{(2)}\in W_{2}$, such that the following conditions are satisfied: the lower truncation condition: for any $w_{(1)}\in W_{1}$, $w_{(2)}\in W_{2}$ and $n\in{\mathbb{C}}$, ${w_{(1)}}_{n+m;\,k}^{\cal Y}w_{(2)}=0\;\;\mbox{ for }\;m\in{\mathbb{N}}\;\mbox{ sufficiently large,\, independently of}\;k;$ (4.3) the Jacobi identity: $\displaystyle\displaystyle x^{-1}_{0}\delta\bigg{(}{x_{1}-x_{2}\over x_{0}}\bigg{)}Y_{3}(v,x_{1}){\cal Y}(w_{(1)},x_{2})w_{(2)}$ (4.4) $\displaystyle\hskip 20.00003pt-x^{-1}_{0}\delta\bigg{(}{x_{2}-x_{1}\over- x_{0}}\bigg{)}{\cal Y}(w_{(1)},x_{2})Y_{2}(v,x_{1})w_{(2)}$ $\displaystyle{\displaystyle=x^{-1}_{2}\delta\bigg{(}{x_{1}-x_{0}\over x_{2}}\bigg{)}{\cal Y}(Y_{1}(v,x_{0})w_{(1)},x_{2})w_{(2)}}$ for $v\in V$, $w_{(1)}\in W_{1}$ and $w_{(2)}\in W_{2}$ (note that the first term on the left-hand side is meaningful because of (4.3)); the $L(-1)$-derivative property: for any $w_{(1)}\in W_{1}$, ${\cal Y}(L(-1)w_{(1)},x)=\frac{d}{dx}{\cal Y}(w_{(1)},x).$ (4.5) ###### Definition 4.2 In the setting of Definition 4.1, suppose in addition that $V$ and $W_{1}$, $W_{2}$ and $W_{3}$ are strongly graded. A logarithmic intertwining operator $\cal{Y}$ as in Definition 4.1 is a grading-compatible logarithmic intertwining operator if for $\beta,\gamma\in\tilde{A}$ and $w_{1}\in W_{1}^{(\beta)}$, $w_{2}\in W_{2}^{(\gamma)}$, $n\in\mathbb{C}$ and $k\in\mathbb{N}$, we have $(w_{1})_{n;k}w_{2}\in W_{3}^{(\beta+\gamma)}.$ ###### Definition 4.3 In the setting of Definition 4.2, the grading-compatible logarithmic intertwining operators of a fixed type ${W_{3}\choose W_{1}\,W_{2}}$ form a vector space, which we denote by $\mathcal{V}_{W_{1}W_{2}}^{W_{3}}$. We call the dimension of $\mathcal{V}_{W_{1}W_{2}}^{W_{3}}$ the fusion rule for $W_{1}$, $W_{2}$ and $W_{3}$ and denote it by $N_{W_{1}W_{2}}^{W_{3}}$. We shall use the following two sets in the next section: For $\beta_{i}\in\tilde{A}$, $i=1,2,3$, set $\tilde{I}^{(\beta_{1},\beta_{2},\beta_{3})}=(\beta_{1}+A_{0})\times(\beta_{2}+A_{0})\times(\beta_{3}+A_{0}).$ For any strongly $\tilde{A}$-graded generalized $V$-modules $W_{i}$ $(i=0,1,\dots,4)$ and any logarithmic intertwining operators $\mathcal{Y}_{1}$ and $\mathcal{Y}_{2}$ of type ${W_{0}^{\prime}\choose W_{1}\,W_{4}}$ and ${W_{4}\choose W_{2}\,W_{3}}$, respectively, set $\displaystyle I^{(\beta_{1},\beta_{2},\beta_{3})}_{\mathcal{Y}_{1},\mathcal{Y}_{2}}=\left\\{(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in\tilde{I}^{(\beta_{1},\beta_{2},\beta_{3})}\;\middle|\begin{array}[]{ccc}&\mbox{if there exist}\;\;\;w_{i}\in W_{i}^{(\widetilde{\beta_{i}})}\;(i=1,2,3)\;\;\mbox{such that}\\\ &\;\;\;\mathcal{Y}_{1}(w_{1},x_{1})\mathcal{Y}_{2}(w_{2},x_{2})w_{3}\neq 0\\\ \end{array}\right\\}.$ For brevity, we will use $I^{(\beta_{1},\beta_{2},\beta_{3})}$ to denote the set $I^{(\beta_{1},\beta_{2},\beta_{3})}_{\mathcal{Y}_{1},\mathcal{Y}_{2}}$ in the rest of this paper. ###### Lemma 4.4 Let $V$ be a strongly $A$-graded vertex algebra with a vertex subalgebra $V_{0}$ strongly graded with respect to $A_{0}\subset A$. Suppose that every strongly graded $V$-module satisfies $C_{1}$-cofiniteness condition as a $V_{0}$-module. Also suppose that for any two fixed elements $\beta_{1}$ and $\beta_{2}$ in $\tilde{A}$ and any triple of strongly graded generalized $V$-modules $M_{1}$, $M_{2}$ and $M_{3}$, the fusion rule $N_{M_{1}^{(\widetilde{\beta_{1}})}M_{2}^{(\widetilde{\beta_{2}})}}^{M_{3}^{(\widetilde{\beta_{1}}+\widetilde{\beta_{2}})}}\neq 0$ for only finitely many pairs $(\widetilde{\beta_{1}},\widetilde{\beta_{2}})\in(\beta_{1}+A_{0})\times(\beta_{2}+A_{0})$. Then the set $I^{(\beta_{1},\beta_{2},\beta_{3})}$ defined above is a finite set. Proof. Since for the triple of strongly graded generalized modules $(W_{1},W_{2},W_{3})$, the fusion rules $N_{W_{1}^{(\widetilde{\beta_{1}})}W_{2}^{(\widetilde{\beta_{2}})}}^{W_{3}^{(\widetilde{\beta}_{1}+\widetilde{\beta}_{2})}}\neq 0$ for only finitely many pairs $(\widetilde{\beta_{1}},\widetilde{\beta_{2}})\in(\beta_{1}+A_{0})\times(\beta_{2}+A_{0})$, the logarithmic intertwining operator $\mathcal{Y}_{2}(w_{2},x_{2})w_{3}$, where $w_{2}\in W_{2}^{(\widetilde{\beta_{2}})}$ and $w_{3}\in W_{3}^{(\widetilde{\beta_{3}})}$, have to be $0$ except for finitely many pairs $(\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in(\beta_{2}+A_{0})\times(\beta_{3}+A_{0})$, and then there are only finitely many triples $(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in\tilde{I}^{(\beta_{1},\beta_{2},\beta_{3})}$ such that the products of logarithmic intertwining operators $\displaystyle\mathcal{Y}_{1}(w_{1},x_{1})\mathcal{Y}_{2}(w_{2},x_{2})w_{3}\neq 0,$ where $w_{1}\in W_{1}^{(\widetilde{\beta_{1}})}$, $w_{2}\in W_{2}^{(\widetilde{\beta_{2}})}$ and $w_{3}\in W_{3}^{(\widetilde{\beta_{3}})}$. Thus the set $I^{(\beta_{1},\beta_{2},\beta_{3})}$ is a finite set. ###### Remark 4.5 In the case that $A_{0}$ is a finite subgroup of $A$, the assumption in Lemma 4.4 holds automatically. ## 5 Differential equations In the rest of this paper, we assume that $V$ is a strongly $A$-graded vertex algebra with a vertex subalgebra $V_{0}$ strongly graded with respect to $A_{0}\subset A$, and assume that every strongly graded (generalized) $V$-module is $\mathbb{R}$-graded, lower bounded and satisfies $C_{1}$-cofiniteness condition as a $V_{0}$-module. Let $W_{i}$ be strongly $\tilde{A}$-graded generalized $V$-modules for $i=0,1,\dots,4$ and let $\mathcal{Y}_{1}$ and $\mathcal{Y}_{2}$ be logarithmic intertwining operators of type ${W_{0}^{\prime}\choose W_{1}\,W_{4}}$ and ${W_{4}\choose W_{2}\,W_{3}}$, respectively. Let $\tilde{I}^{(\beta_{1},\beta_{2},\beta_{3})}$ and $I^{(\beta_{1},\beta_{2},\beta_{3})}$ be the two sets defined in the previous section. Let $R=\mathbb{C}[z_{1}^{\pm 1},z_{2}^{\pm 1},(z_{1}-z_{2})^{-1}]$, $\beta_{1}$, $\beta_{2}$ and $\beta_{3}$ be three fixed elements in $\tilde{A}$. Set $\widetilde{T}^{(\beta_{1},\beta_{2},\beta_{3})}=\coprod_{(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in\tilde{I}^{(\beta_{1},\beta_{2},\beta_{3})}}R\otimes W_{0}^{(\widetilde{\beta_{1}}+\widetilde{\beta_{2}}+\widetilde{\beta_{3}})}\otimes W_{1}^{\widetilde{(\beta_{1})}}\otimes W_{2}^{\widetilde{(\beta_{2})}}\otimes W_{3}^{\widetilde{(\beta_{3})}}$ and $T^{(\beta_{1},\beta_{2},\beta_{3})}_{\mathcal{Y}_{1},\mathcal{Y}_{2}}=\coprod_{(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in I^{(\beta_{1},\beta_{2},\beta_{3})}}R\otimes W_{0}^{(\widetilde{\beta_{1}}+\widetilde{\beta_{2}}+\widetilde{\beta_{3}})}\otimes W_{1}^{\widetilde{(\beta_{1})}}\otimes W_{2}^{\widetilde{(\beta_{2})}}\otimes W_{3}^{\widetilde{(\beta_{3})}}.$ Then $\widetilde{T}^{(\beta_{1},\beta_{2},\beta_{3})}$ and $T^{(\beta_{1},\beta_{2},\beta_{3})}_{\mathcal{Y}_{1},\mathcal{Y}_{2}}$ have natural $R$-module structures. For convenience, in the rest of this paper, we will use $T^{(\beta_{1},\beta_{2},\beta_{3})}$ to denote $T^{(\beta_{1},\beta_{2},\beta_{3})}_{\mathcal{Y}_{1},\mathcal{Y}_{2}}$. For simplicity, we shall omit one tensor symbol to write $f(z_{1},z_{2})\otimes w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$ as $f(z_{1},z_{2})w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$ in $\widetilde{T}^{(\beta_{1},\beta_{2},\beta_{3})}$ and $T^{(\beta_{1},\beta_{2},\beta_{3})}$. For a strongly $\tilde{A}$-graded generalized $V$-module $W$, let $(W^{\prime},Y^{\prime})$ be the contragredient module of $W$ (recall definition 2.9). In particular, for $u\in V$ and $n\in\mathbb{Z}$, we have the operators $u_{n}$ on $W^{\prime}$. Let $u_{n}^{*}:W\rightarrow W$ be the adjoint of $u_{n}:W^{\prime}\rightarrow W^{\prime}$. Note that since wt $u_{n}=$ wt $u-n-1$, we have wt $u_{n}^{*}=-$wt $u+n+1$. Also, $A$-wt $u_{n}^{*}$ $=$ $-(A$-wt $u_{n})$. Let $(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in\tilde{I}^{(\beta_{1},\beta_{2},\beta_{3})}$ and let $\widetilde{\beta_{0}}=\widetilde{\beta_{1}}+\widetilde{\beta_{2}}+\widetilde{\beta_{3}}$. For $u\in(V_{0})_{+}$ and $w_{i}\in W_{i}^{(\widetilde{\beta_{i}})}$ $(i=0,1,2,3)$, let $J^{(\beta_{1},\beta_{2},\beta_{3})}$ be the submodule of $\widetilde{T}^{(\beta_{1},\beta_{2},\beta_{3})}$ generated by elements of the form $\displaystyle\mathcal{A}(u,w_{0},w_{1},w_{2},w_{3})$ $\displaystyle\;\;\;\;\;\;\;\;=\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-z_{1})^{k}u_{-1-k}^{*}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}-w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-(z_{1}-z_{2}))^{-1-k}w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-z_{1})^{-1-k}w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{k}w_{3},$ $\displaystyle\;\;\;\;\;\;\mathcal{B}(u,w_{0},w_{1},w_{2},w_{3})$ $\displaystyle\;\;\;\;\;\;\;\;=\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-z_{2})^{k}u_{-1-k}^{*}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-(z_{1}-z_{2}))^{-1-k}w_{0}\otimes u_{k}w_{1}\otimes w_{2}\otimes w_{3}-w_{0}\otimes w_{1}\otimes u_{-1}w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-z_{2})^{-1-k}w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{k}w_{3},$ $\displaystyle\mathcal{C}(u,w_{0},w_{1},w_{2},w_{3})$ $\displaystyle\;\;\;\;\;\;\;\;=u_{-1}^{*}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)z_{1}^{-1-k}w_{0}\otimes u_{k}w_{1}\otimes w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)z_{2}^{-1-k}w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}-w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{-1}w_{3},$ $\displaystyle\;\;\;\;\;\mathcal{D}(u,w_{0},w_{1},w_{2},w_{3})$ $\displaystyle\;\;\;\;\;\;\;\;=u_{-1}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)z_{1}^{k+1}w_{0}\otimes e^{z_{1}^{-1}L(1)}(-z_{1}^{2})^{L(0)}u_{k}(-z_{1}^{-2})^{L(0)}e^{-z_{1}^{-1}L(1)}w_{1}\otimes w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)z_{2}^{k+1}w_{0}\otimes w_{1}\otimes e^{z_{2}^{-1}L(1)}(-z_{2}^{2})^{L(0)}u_{k}(-z_{2}^{-2})^{L(0)}e^{-z_{2}^{-1}L(1)}w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{-1}^{*}w_{3}.$ We shall also need a submodule $S^{(\beta_{1},\beta_{2},\beta_{3})}_{\mathcal{Y}_{1},\mathcal{Y}_{2}}$ of $\tilde{T}^{(\beta_{1},\beta_{2},\beta_{3})}$ generated by elements of the form $w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$ for $w_{i}\in W_{i}^{(\widetilde{\beta_{i}})}(i=0,1,2,3)$, $(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in\tilde{I}^{(\beta_{1},\beta_{2},\beta_{3})}\setminus I^{(\beta_{1},\beta_{2},\beta_{3})}$. For simplicity, we denote $S^{(\beta_{1},\beta_{2},\beta_{3})}_{\mathcal{Y}_{1},\mathcal{Y}_{2}}$ by $S^{(\beta_{1},\beta_{2},\beta_{3})}$. ###### Lemma 5.1 Let $\beta_{i}\in\tilde{A}$. Then $\widetilde{T}^{(\beta_{1},\beta_{2},\beta_{3})}=T^{(\beta_{1},\beta_{2},\beta_{3})}\oplus S^{(\beta_{1},\beta_{2},\beta_{3})}.$ We shall find an $R$-submodule of $\tilde{T}^{(\beta_{1},\beta_{2},\beta_{3})}$ such that its complement in $T^{(\beta_{1},\beta_{2},\beta_{3})}$ is finitely generated. For this purpose, we use the following $R$-submodule of $\tilde{T}^{(\beta_{1},\beta_{2},\beta_{3})}$: $\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}=J^{(\beta_{1},\beta_{2},\beta_{3})}\oplus S^{(\beta_{1},\beta_{2},\beta_{3})}.$ For $r\in R$, we can define the $R$-submodules $T^{(\beta_{1},\beta_{2},\beta_{3})}_{(r)}$, $F_{r}(T^{(\beta_{1},\beta_{2},\beta_{3})})$ and $F_{r}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})$ as in [H]. Note that $F_{r}(T^{(\beta_{1},\beta_{2},\beta_{3})})$ is a finitely generated $R$-module since $I^{(\beta_{1},\beta_{2},\beta_{3})}$ is a finite set by Lemma 4.4. ###### Proposition 5.2 Let $W_{i}$ be strongly $\tilde{A}$-graded generalized $V$-modules and let $\beta_{i}\in\tilde{A}$ for $i=0,1,2,3$. Then there exists $M\in\mathbb{Z}$ such that for any $r\in\mathbb{R}$, $F_{r}(T^{(\beta_{1},\beta_{2},\beta_{3})})\subset F_{r}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. In particular, $T^{(\beta_{1},\beta_{2},\beta_{3})}\subset\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Proof. For $\widetilde{\beta_{i}}\in\tilde{A}$, let $\widetilde{\beta_{0}}$ denote $\widetilde{\beta_{1}}+\widetilde{\beta_{2}}+\widetilde{\beta_{3}}$ and let $(C_{1}(W_{i}))^{(\widetilde{\beta_{i}})}$ be the subspace of $W_{i}$ spanned by elements of the form $u_{-1}w_{i}\in W_{i}^{(\widetilde{\beta_{i}})}$, where $u\in(V_{0})_{+}=\coprod_{n>0}(V_{0})_{(n)}.$ Since dim $W_{i}^{(\widetilde{\beta_{i}})}/(C_{1}(W_{i}))^{(\widetilde{\beta_{i}})}<\infty$ for $i=0,1,2,3$, there exists $M\in\mathbb{Z}$ such that $\displaystyle\coprod_{n>M}T^{(\beta_{1},\beta_{2},\beta_{3})}_{(n)}\subset\coprod_{(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in I^{(\beta_{1},\beta_{2},\beta_{3})}}$ $\displaystyle R((C_{1}(W_{0}))^{(\widetilde{\beta_{0}})}\otimes W_{1}^{(\widetilde{\beta_{1}})}\otimes W_{2}^{(\widetilde{\beta_{2}})}\otimes W_{3}^{(\widetilde{\beta_{3}})})$ $\displaystyle+$ $\displaystyle R(W_{0}^{(\widetilde{\beta_{0}})}\otimes(C_{1}(W_{1}))^{(\widetilde{\beta_{1}})}\otimes W_{2}^{(\widetilde{\beta_{2}})}\otimes W_{3}^{(\widetilde{\beta_{3}})})$ $\displaystyle+$ $\displaystyle R(W_{0}^{(\widetilde{\beta_{0}})}\otimes W_{1}^{(\widetilde{\beta_{1}})}\otimes(C_{1}(W_{2}))^{(\widetilde{\beta_{2}})}\otimes W_{3}^{(\widetilde{\beta_{3}})})$ $\displaystyle+$ $\displaystyle R(W_{0}^{(\widetilde{\beta_{0}})}\otimes W_{1}^{(\widetilde{\beta_{1}})}\otimes W_{2}^{(\widetilde{\beta_{2}})}\otimes(C_{1}(W_{3}))^{(\widetilde{\beta_{3}})}).$ We use induction on $r\in\mathbb{R}$. If $r$ is equal to $M$, $F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})\subset F_{M}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Now we assume that $F_{r}(T^{(\beta_{1},\beta_{2},\beta_{3})})\subset F_{r}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$ for $r<s$ where $s>M$. We want to show that any homogeneous element of $T^{(\beta_{1},\beta_{2},\beta_{3})}_{(s)}$ can be written as a sum of an element of $F_{s}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})$ and an element of $F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Since $s>M$, by (5), any element of $T^{(\beta_{1},\beta_{2},\beta_{3})}_{(s)}$ is an element of the right hand side of (5). We shall discuss only the case that this element is in $R(W_{0}^{(\widetilde{\beta_{0}})}\otimes(C_{1}(W_{1}))^{(\widetilde{\beta_{1}})}\otimes W_{2}^{(\widetilde{\beta_{2}})}\otimes W_{3}^{(\widetilde{\beta_{3}})})$; the other cases are completely similar. We need only discuss elements of the form $w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$, where $w_{i}\in W_{i}^{(\widetilde{\beta_{i}})}$ for $i=0,2,3$, $u_{-1}w_{1}\in(C_{1}(W_{1}))^{(\widetilde{\beta_{1}})}$ and $u\in(V_{0})_{+}$. We see from Lemma 5.1 that the elements $u_{-1-k}^{*}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$, $w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}$ and $w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{k}w_{3}$ for $k\geq 0$ are either in $S^{(\beta_{1},\beta_{2},\beta_{3})}$ or in $T^{(\beta_{1},\beta_{2},\beta_{3})}$. By assumption, the weight of $w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$ is $s$, then the weight of $u_{-1-k}^{*}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$, $w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}$ and $w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{k}w_{3}$ for $k\geq 0$, are all less than $s$. Thus these elements either lie in $F_{s}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})$ or in $F_{s-1}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Also, since $\mathcal{A}(u,w_{0},w_{1},w_{2},w_{3})\in F_{s}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})$, we see that $\displaystyle w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;=\mathcal{A}(u,w_{0},w_{1},w_{2},w_{3})+\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-z_{1})^{k}u_{-1-k}^{*}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-(z_{1}-z_{2}))^{-1-k}w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-z_{1})^{-1-k}w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{k}w_{3}$ can be written as a sum of an element of $F_{s}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})$ and elements of $F_{s-1}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Thus by the induction assumption, the element $w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$ can be written as a sum of an element of $F_{s}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})$ and an element of $F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Now we have $\displaystyle T^{(\beta_{1},\beta_{2},\beta_{3})}$ $\displaystyle=\coprod_{r\in\mathbb{R}}F_{r}(T^{(\beta_{1},\beta_{2},\beta_{3})})$ $\displaystyle\subset\coprod_{r\in\mathbb{R}}F_{r}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$ $\displaystyle=\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})}).$ We immediately obtain the following: ###### Corollary 5.3 The quotient $R$-module $T^{(\beta_{1},\beta_{2},\beta_{3})}/T^{(\beta_{1},\beta_{2},\beta_{3})}\cap\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}$ is finitely generated. Proof. We have the following R-module isomorphism: $T^{(\beta_{1},\beta_{2},\beta_{3})}/T^{(\beta_{1},\beta_{2},\beta_{3})}\cap\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}\simeq T^{(\beta_{1},\beta_{2},\beta_{3})}+\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}/\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}.$ By the previous Proposition, the R-module $T^{(\beta_{1},\beta_{2},\beta_{3})}+\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}/\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}$ is a submodule of $\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})/\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}\simeq F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})/F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})\cap\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})},$ which is finitely generated. For an element $\mathcal{W}\in T^{(\beta_{1},\beta_{2},\beta_{3})}$, we shall use $[\mathcal{W}]$ to denote the equivalence class in $T^{(\beta_{1},\beta_{2},\beta_{3})}/T^{(\beta_{1},\beta_{2},\beta_{3})}\cap\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}$ containing $\mathcal{W}$. We also have: ###### Corollary 5.4 Let $W_{i}$ be strongly $\tilde{A}$-graded generalized $V$-modules for $i=0,1,2,3$. For any $\tilde{A}$-homogeneous elements $w_{i}\in W_{i}$ $(i=0,1,2,3)$, let $M_{1}$ and $M_{2}$ be the $R$-submodules of $T^{(\beta_{1},\beta_{2},\beta_{3})}/T^{(\beta_{1},\beta_{2},\beta_{3})}\cap\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}$ generated by $[w_{0}\otimes L(-1)^{j}w_{1}\otimes w_{2}\otimes w_{3}]$, $j\geq 0$, and by $[w_{0}\otimes w_{1}\otimes L(-1)^{j}w_{2}\otimes w_{3}]$, $j\geq 0$, respectively. Then $M_{1}$, $M_{2}$ are finitely generated. In particular, for any $\tilde{A}$-homogeneous elements $w_{i}\in W_{i}$ $(i=0,1,2,3)$, there exist $a_{k}(z_{1},z_{2})$, $b_{l}(z_{1},z_{2})\in R$ for $k=1,\dots,m$ and $l=1,\dots,n$ such that $\displaystyle[w_{0}\otimes L(-1)^{m}w_{1}\otimes w_{2}\otimes w_{3}]+a_{1}(z_{1},z_{2})[w_{0}\otimes L(-1)^{m-1}w_{1}\otimes w_{2}\otimes w_{3}]$ $\displaystyle+\cdots+a_{m}(z_{1},z_{2})[w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}]=0,$ (5.15) $\displaystyle[w_{0}\otimes w_{1}\otimes L(-1)^{n}w_{2}\otimes w_{3}]+b_{1}(z_{1},z_{2})[w_{0}\otimes w_{1}\otimes L(-1)^{n-1}w_{2}\otimes w_{3}]$ $\displaystyle+\cdots+b_{n}(z_{1},z_{2})[w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}]=0.$ (5.16) Now we establish the existence of systems of differential equations: ###### Theorem 5.5 Let $V$ be a strongly $A$-graded vertex algebra with a vertex subalgebra $V_{0}$ strongly graded with respect to $A_{0}\subset A$. Suppose that every strongly graded $V$-module satisfies $C_{1}$-cofiniteness condition as a $V_{0}$-module. Also suppose that for any two fixed elements $\beta_{1}$ and $\beta_{2}$ in $\tilde{A}$ and any triple of strongly graded generalized $V$-modules $M_{1}$, $M_{2}$ and $M_{3}$, the fusion rule $N_{M_{1}^{(\widetilde{\beta_{1}})}M_{2}^{(\widetilde{\beta_{2}})}}^{M_{3}^{(\widetilde{\beta_{1}}+\widetilde{\beta_{2}})}}\neq 0$ for only finitely many pairs $(\widetilde{\beta_{1}},\widetilde{\beta_{2}})\in(\beta_{1}+A_{0})\times(\beta_{2}+A_{0})$. Let $W_{i}$ be strongly $\tilde{A}$-graded generalized $V$-modules for $i=0,1,2,3,4$ and let $\mathcal{Y}_{1}$ and $\mathcal{Y}_{2}$ be logarithmic intertwining operators of type ${W_{0}^{\prime}\choose W_{1}\,W_{4}}$, ${W_{4}\choose W_{2}\,W_{3}}$. Then for any $\tilde{A}$-homogeneous elements $w_{i}\in W_{i}$ ($i=0,1,2,3$), there exist $a_{k}(z_{1},z_{2}),b_{l}(z_{1},z_{2})\in\mathbb{C}[z_{1}^{\pm},z_{2}^{\pm},(z_{1}-z_{2})^{-1}]$ for $k=1,\dots,m$ and $l=1,\dots,n$ such that the series $\langle w_{0},\mathcal{Y}_{1}(w_{1},z_{1})\mathcal{Y}_{2}(w_{2},z_{2})w_{3}\rangle,$ (5.17) satisfying the expansions of the system of differential equations $\frac{\partial^{m}\varphi}{\partial z_{1}^{m}}+a_{1}(z_{1},z_{2})\frac{\partial^{m-1}\varphi}{\partial z_{1}^{m-1}}+\cdots+a_{m}(z_{1},z_{2})\varphi=0,$ (5.18) $\frac{\partial^{n}\varphi}{\partial z_{2}^{n}}+b_{1}(z_{1},z_{2})\frac{\partial^{n-1}\varphi}{\partial z_{2}^{n-1}}+\cdots+b_{n}(z_{1},z_{2})\varphi=0$ (5.19) in the region $|z_{1}|>|z_{2}|>0$. Proof. The proof is similar to the proof of Theorem 1.4 in [H] except the difference on the $R$-module $\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}$. We sketch the proof as follows: Let $\Delta={\rm wt}\ w_{0}-{\rm wt}\ w_{1}-{\rm wt}\ w_{2}-{\rm wt}\ w_{3}$. For $(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in I^{(\beta_{1},\beta_{2},\beta_{3})}$, let $\widetilde{\beta_{0}}=\widetilde{\beta_{1}}+\widetilde{\beta_{2}}+\widetilde{\beta_{3}}$. Let $\mathbb{C}(\\{x\\})$ be the space of all series of the form $\sum_{n\in\mathbb{R}}a_{n}x^{n}$ for $n\in\mathbb{R}$ such that $a_{n}=0$ when the real part of $n$ is sufficiently negative. Consider the map $\displaystyle\phi_{\mathcal{Y}_{1},\mathcal{Y}_{2}}:T^{(\beta_{1},\beta_{2},\beta_{3})}\longrightarrow z_{1}^{\Delta}\mathbb{C}(\\{z_{2}/z_{1}\\})[z_{1}^{\pm 1},z_{2}^{\pm 1}]$ defined by $\displaystyle\phi_{\mathcal{Y}_{1},\mathcal{Y}_{2}}(f(z_{1},z_{2})w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3})$ $\displaystyle=\iota_{|z_{1}|>|z_{2}|>0}(f(z_{1},z_{2}))\langle w_{0},\mathcal{Y}_{1}(w_{1},z_{1})\mathcal{Y}_{2}(w_{2},z_{2})w_{3}\rangle,$ where $\displaystyle\iota_{|z_{1}|>|z_{2}|>0}:R$ $\displaystyle\longrightarrow$ $\displaystyle\mathbb{C}[[z_{2}/z_{1}]][z_{1}^{\pm 1},z_{2}^{\pm 1}]$ is the map expanding elements of $R$ as series in the regions $|z_{1}|>|z_{2}|>0$. Using the Jacobi identity for the logarithmic intertwining operators, we have that elements of $J^{(\beta_{1},\beta_{2},\beta_{3})}$ are in the kernel of $\phi_{\mathcal{Y}_{1},\mathcal{Y}_{2}}$. The elements of $S^{(\beta_{1},\beta_{2},\beta_{3})}$ are in the kernel by the construction of the set $I^{(\beta_{1},\beta_{2},\beta_{3})}$. From Lemma 5.1, we have $\phi_{\mathcal{Y}_{1},\mathcal{Y}_{2}}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})=0.$ Thus the map $\phi_{\mathcal{Y}_{1},\mathcal{Y}_{2}}$ induces a map $\displaystyle\bar{\phi}_{\mathcal{Y}_{1},\mathcal{Y}_{2}}:T^{(\beta_{1},\beta_{2},\beta_{3})}/T^{(\beta_{1},\beta_{2},\beta_{3})}\cap\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}\longrightarrow z_{1}^{\Delta}\mathbb{C}(\\{z_{2}/z_{1}\\})[z_{1}^{\pm 1},z_{2}^{\pm 1}].$ Applying $\bar{\phi}_{\mathcal{Y}_{1},\mathcal{Y}_{2}}$ to (5.4) and (5.4) and then use the $L(-1)$-derivative property for logarithmic intertwining operators, we see that (5.17) indeed satisfies the expansions of the system of differential equations in the regions $|z_{1}|>|z_{2}|>0$. ###### Remark 5.6 Note that in the theorems above, $a_{k}(z_{1};z_{2})$ for $k=1,\dots,m-1$ and $b_{l}(z_{1};z_{2})$ for $l=1,\dots,l-1$, and consequently the corresponding system, depend on the logarithmic intertwining operators $\mathcal{Y}_{1}$, $\mathcal{Y}_{2}$. The following result can be proved in the same method, so we omit the proof. ###### Theorem 5.7 Let $V$ be a strongly $A$-graded vertex algebra with a vertex subalgebra $V_{0}$ strongly graded with respect to $A_{0}\subset A$. Suppose that every strongly graded $V$-module satisfies $C_{1}$-cofiniteness condition as a $V_{0}$-module. Also suppose that for any two fixed elements $\beta_{1}$ and $\beta_{2}$ in $\tilde{A}$ and any triple of strongly graded generalized $V$-modules $M_{1}$, $M_{2}$ and $M_{3}$, the fusion rules $N_{M_{1}^{(\widetilde{\beta_{1}})}M_{2}^{(\widetilde{\beta_{2}})}}^{M_{3}^{(\widetilde{\beta_{1}}+\widetilde{\beta_{2}})}}\neq 0$ for only finitely many pairs $(\widetilde{\beta_{1}},\widetilde{\beta_{2}})\in(\beta_{1}+A_{0})\times(\beta_{2}+A_{0})$. Let $W_{i}$ be strongly $\tilde{A}$-graded generalized $V$-modules for $i=0,\dots,n+1$. For any generalized V-modules $\widetilde{W_{1}},\dots,\widetilde{W_{n-1}}$, let $\mathcal{Y}_{1},\mathcal{Y}_{2},\dots,\mathcal{Y}_{n-1},\mathcal{Y}_{n}$ be logarithmic intertwining operators of types ${W_{0}\choose W_{1}\,\widetilde{W_{1}}},{\widetilde{W_{1}}\choose W_{2}\,\widetilde{W_{2}}},\dots,{\widetilde{W_{n-2}}\choose W_{n-1}\,\widetilde{W_{n-1}}},{\widetilde{W_{n-1}}\choose W_{n}\,W_{n+1}},$ respectively. Then for any $\tilde{A}$-homogeneous elements $w_{(0)}^{\prime}\in W_{0}^{\prime}$, $w_{(1)}\in W_{1},\dots,w_{(n+1)}\in W_{n+1}$, there exist $a_{k,l}(z_{1},\dots,z_{n})\in\mathbb{C}[z_{1}^{\pm 1},\dots,z_{n}^{\pm 1},(z_{1}-z_{2})^{-1},(z_{1}-z_{3})^{-1},\dots,(z_{n-1}-z_{n})^{-1}]$ for $k=1,\dots,m$ and $l=1,\dots,n$ such that the series $\langle w_{(0)}^{\prime},\mathcal{Y}_{1}(w_{(1)},z_{1})\cdots\mathcal{Y}_{n}(w_{(n)},z_{n})w_{(n+1)}\rangle$ satisfies the system of differential equations $\frac{\partial^{m}\varphi}{\partial z_{l}^{m}}+\sum_{k=1}^{m}a_{k,l}(z_{1},\dots,z_{n})\frac{\partial^{m-k}\varphi}{\partial z_{l}^{m-k}}=0,\ \ l=1,\dots,n$ (5.20) in the region $|z_{1}|>\cdots>|z_{n}|>0$. ###### Remark 5.8 Under the same condition as in the Theorem 5.5, it follows from the same argument in this section that matrix elements of iterates of logarithmic intertwining operators $\langle w_{(0)}^{\prime},\mathcal{Y}_{1}(\mathcal{Y}_{2}(w_{1},z_{1}-z_{2}),z_{2})w_{2}\rangle$ (5.21) also satisfy the expansions of the system of differential equations of the form (5.18) and (5.19) in the region $|z_{2}|>|z_{1}-z_{2}|>0$. ###### Example 5.9 Let $V_{L}$ be the conformal vertex algebra associated with a nondegenerate even lattice $L$. Then any strongly graded generalized $V_{L}$-module $W$ (in this example, all the generalized modules are modules) satisfies the assumption in Theorem 5.5 and the series (5.17), (5.21) satisfies the expansions of the system of differential equations (5.18) and (5.19) in the regions $|z_{1}|>|z_{2}|>0$, $|z_{2}|>|z_{1}-z_{2}|>0$, respectively. ## 6 The regularity of the singular points We first recall the definition for regular singular points for a system of differential equations given in [K]. For the system of differential equations of form (5.20), a singular point $z_{0}=(z_{0}^{(1)},\dots,z_{0}^{(n)})$ is an isolated singular point of the coefficient matrix $a_{k,l}(z_{1},\dots,z_{n})\in\mathbb{C}[z_{1}^{\pm 1},\dots,z_{n}^{\pm 1},(z_{1}-z_{2})^{-1},(z_{1}-z_{3})^{-1},\dots,(z_{n-1}-z_{n})^{-1}]$ for $k=1,\dots,m$ and $l=1,\dots,n$. For $s=(s_{1},\dots,s_{n})\in\mathbb{Z}_{+}^{n}$, set $|s|=\sum_{i=0}^{n}s_{i}$ and $(\log(z-z_{0}))^{s}=(\log(z_{1}-z_{0}^{(1)}))^{s_{1}}\cdots(\log(z_{n}-z_{0}^{(n)}))^{s_{n}}.$ For $t=(t^{(1)},\dots,t^{(n)})\in\mathbb{C}^{n}$, set $(z-z_{0})^{t}=(z_{1}-z_{0}^{(1)})^{t^{(1)}}\cdots(z_{n}-z_{0}^{(n)})^{t^{(n)}}.$ A singular point $z_{0}$ for the system of differential equations of form (5.20) is regular if every solution in the punctured disc $(D^{\times})^{n}$ $0<|z_{i}-z_{0}^{(i)}|<a_{i}$ with some $a_{i}\in\mathbb{R}_{+}$ $(i=1,\dots,n)$ is of the form $\varphi(z)=\sum_{i=1}^{r}\sum_{|m|<M}(z-z_{0})^{t_{i}}(\log(z-z_{0}))^{m}f_{t_{i},m}(z-z_{0})$ with $M,r\in\mathbb{Z}_{+}$ and each $f_{t_{i},m}(z-z_{0})$ holomorphic in $(D^{\times})^{n}$. Theorem B.16 in [K] gives a sufficient condition for a singular point of a system of differential equations to be regular. As in [H], for $r\in\mathbb{R}$, we define the $R$-modules $F_{r}^{(z_{1}=z_{2})}(R)$, $F_{r}^{(z_{1}=z_{2})}(T^{(\beta_{1},\beta_{2},\beta_{3})})$ and $F_{r}^{(z_{1}=z_{2})}(\widetilde{T}^{(\beta_{1},\beta_{2},\beta_{3})})$, which provide filtration associated to the singular point $z_{1}=z_{2}$ on $R$, $R$-modules $T^{(\beta_{1},\beta_{2},\beta_{3})}$ and $\widetilde{T}^{(\beta_{1},\beta_{2},\beta_{3})}$, respectively. For convenience, we shall use $\widetilde{\beta_{0}}$ to denote $\widetilde{\beta_{1}}+\widetilde{\beta_{2}}+\widetilde{\beta_{3}}$ for $\widetilde{\beta_{i}}\in\beta_{i}+A_{0}$ $(i=1,2,3)$. We shall also consider the ring $\mathbb{C}[z_{1}^{\pm},z_{2}^{\pm}]$ and the $\mathbb{C}[z_{1}^{\pm},z_{2}^{\pm}]$-module $(T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})}=\coprod_{(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in I^{(\beta_{1},\beta_{2},\beta_{3})}}\mathbb{C}[z_{1}^{\pm},z_{2}^{\pm}]\otimes W_{0}^{(\widetilde{\beta_{0}})}\otimes W_{1}^{(\widetilde{\beta_{1}})}\otimes W_{2}^{(\widetilde{\beta_{2}})}\otimes W_{3}^{(\widetilde{\beta_{3}})}.$ Let $(T^{(\beta_{1},\beta_{2},\beta_{3})})_{(r)}^{(z_{1}=z_{2})}$ be the space of elements of $(T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})}$ of weight $r$ for $r\in\mathbb{R}$. Let $F_{r}((T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})})=\coprod_{s\leq r}(T^{(\beta_{1},\beta_{2},\beta_{3})})_{(s)}^{(z_{1}=z_{2})}$. These subspaces give a filtration of $(T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})}$ in the following sense: $F_{r}((T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})})\subset F_{s}((T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})})$ for $r\leq s$ and $(T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})}=\coprod_{r\in\mathbb{R}}F_{r}((T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})})$. Let $F_{r}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})=F_{r}^{(z_{1}=z_{2})}(\widetilde{T}^{(\beta_{1},\beta_{2},\beta_{3})})\cap\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}$ for $r\in\mathbb{R}$. We have the following lemma: ###### Lemma 6.1 For any $r\in\mathbb{R}$, $F_{r}((T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})})\subset F_{r}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Proof. The proof is similar to the proof of Proposition 5.2 except some slight differences. We discuss elements of the form $w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$ with weight $s$, where $w_{i}\in W_{i}^{(\widetilde{\beta_{i}})}$ for $i=0,1,2,3$ and $u\in(V_{0})_{+}$. By definition of the element $\mathcal{A}(u,w_{0},w_{1},w_{2},w_{3})$ in the $R$-submodule $\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}$, we have $\displaystyle w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;=\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-z_{1})^{k}u_{-1-k}^{*}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}-\mathcal{A}(u,w_{0},w_{1},w_{2},w_{3})$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-(z_{1}-z_{2}))^{-1-k}w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}$ $\displaystyle\;\;\;\;\;\;\;\;\;\;\;\;\;\;-\sum_{k\geq 0}\left(\begin{array}[]{c}-1\\\ k\end{array}\right)(-z_{1})^{-1-k}w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{k}w_{3}.$ We know from Lemma 5.1 that the elements $u_{-1-k}^{*}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$, $w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}$ and $w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{k}w_{3}$ for $k\geq 0$ are either in $S^{(\beta_{1},\beta_{2},\beta_{3})}\subset\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}$ or in $T^{(\beta_{1},\beta_{2},\beta_{3})}$ with weights less than the weight of $w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$. In the first case, since elements of the form $w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}$ are in $F_{s-k-1}^{(z_{1}=z_{2})}(\tilde{J})$, $(-(z_{1}-z_{2}))^{-1-k}w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}\in F_{s}^{(z_{1}=z_{2})}(\tilde{J})$. Thus in this case, $w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$ is an element of $F_{s}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})$. In the second case, by induction assumption, $u_{-1-k}^{*}w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}$, $w_{0}\otimes w_{1}\otimes w_{2}\otimes u_{k}w_{3}\in F_{s}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$ and $w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}\in F_{s-k-1}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Hence the element $(-(z_{1}-z_{2}))^{-1-k}w_{0}\otimes w_{1}\otimes u_{k}w_{2}\otimes w_{3}\in F_{s}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Thus in this case, $w_{0}\otimes u_{-1}w_{1}\otimes w_{2}\otimes w_{3}$ can be written as a sum of an element of $F_{s}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})$ and an element of $F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Using Lemma 6.1, we get the following refinement of proposition 5.2: ###### Proposition 6.2 For any $r\in\mathbb{R}$, $F_{r}^{(z_{1}=z_{2})}(T^{(\beta_{1},\beta_{2},\beta_{3})})\subset F_{r}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. In particular, $F_{r}^{(z_{1}=z_{2})}(T^{(\beta_{1},\beta_{2},\beta_{3})})=F_{r}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})\cap T^{(\beta_{1},\beta_{2},\beta_{3})}+F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Proof. It is a consequence of the decomposition: $F_{r}^{(z_{1}=z_{2})}(T^{(\beta_{1},\beta_{2},\beta_{3})})=\coprod_{i=0}^{r}(z_{1}-z_{2})^{-i}F_{r-i}((T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})})$ and Lemma 6.1. Let $w_{i}\in W_{i}^{(\widetilde{\beta_{i}})}$ for $i=0,1,2,3$ and $(\widetilde{\beta_{1}},\widetilde{\beta_{2}},\widetilde{\beta_{3}})\in I^{(\beta_{1},\beta_{2},\beta_{3})}$. Then by Proposition 6.2, $w_{0}\otimes w_{1}\otimes w_{2}\otimes w_{3}=\mathcal{W}_{1}+\mathcal{W}_{2}$ where $\mathcal{W}_{1}\in F_{\sigma}^{(z_{1}=z_{2})}(\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})})\cap T^{(\beta_{1},\beta_{2},\beta_{3})}=F_{\sigma}^{(z_{1}=z_{2})}(T^{(\beta_{1},\beta_{2},\beta_{3})})\cap\tilde{J}^{(\beta_{1},\beta_{2},\beta_{3})}$ and $\mathcal{W}_{2}\in F_{M}(T^{(\beta_{1},\beta_{2},\beta_{3})})$. Using the same proof as Lemma 2.2 in [H], we have the following lemma: ###### Lemma 6.3 For any $s\in[0,1)$, there exist $S\in\mathbb{R}$ such that $s+S\in\mathbb{Z}_{+}$ and for any $w_{i}\in W_{i}$, $i=0,1,2,3$, satisfying $\sigma\in s+\mathbb{Z}$, $(z_{1}-z_{2})^{\sigma+S}\mathcal{W}_{2}\in(T^{(\beta_{1},\beta_{2},\beta_{3})})^{(z_{1}=z_{2})}$. ###### Theorem 6.4 Let $V$ be a strongly $A$-graded vertex algebra with a vertex subalgebra $V_{0}$ strongly graded with respect to $A_{0}\subset A$. Suppose that every strongly graded $V$-module satisfies $C_{1}$-cofiniteness condition as a $V_{0}$-module. Also suppose that for any two fixed elements $\beta_{1}$ and $\beta_{2}$ in $\tilde{A}$ and any triple of strongly graded generalized $V$-modules $M_{1}$, $M_{2}$ and $M_{3}$, the fusion rule $N_{M_{1}^{(\widetilde{\beta_{1}})}M_{2}^{(\widetilde{\beta_{2}})}}^{M_{3}^{(\widetilde{\beta_{1}}+\widetilde{\beta_{2}})}}\neq 0$ for only finitely many pairs $(\widetilde{\beta_{1}},\widetilde{\beta_{2}})\in(\beta_{1}+A_{0})\times(\beta_{2}+A_{0})$. Let $W_{i}$, $w_{i}\in W_{i}$ for $i=0,1,2,3,4$, $\mathcal{Y}_{1}$ and $\mathcal{Y}_{2}$ be the same as in Theorem 5.5. For any possible singular point of the form $(z_{1}=0,z_{2}=0,z_{1}=\infty,z_{2}=\infty,z_{1}=z_{2})$, $z_{1}^{-1}(z_{1}-z_{2})=0$, or $z_{2}^{-1}(z_{1}-z_{2})=0$, there exist $a_{k}(z_{1},z_{2}),b_{l}(z_{1},z_{2})\in\mathbb{C}[z_{1}^{\pm},z_{2}^{\pm},(z_{1}-z_{2})^{-1}]$ for $k=1,\dots,m$ and $l=1,\dots,n$, such that this singular point of the system (5.18) and (5.19) satisfied by (5.17) is regular. Proof. The proof is the same as the proof of Theorem 2.3 in [H] except that we use Proposition 6.2 and Lemma 6.3 here. We can prove the following theorem using the same method, so we omit the proof here. ###### Theorem 6.5 For any set of possible singular points of the system (5.20) in Theorem 5.7 of the form $z_{i}=0$ or $z_{i}=\infty$ for some $i$ or $z_{i}=z_{j}$ for some $i\neq j$, the $a_{k,l}(z_{1},\dots,z_{n})$ in Theorem 5.7 can be chosen for $k=1,\dots,m$ and $l=1,\dots,n$ so that these singular points are regular. ## 7 Braided tensor category structure In the logarithmic tensor category theory developed in [HLZ], the convergence and expansion property for the logarithmic intertwining operators are needed in the construction of the associativity isomorphism. In this section, we will recall the definition of convergence and expansion property for products and iterates of logarithmic intertwining operators and then follow [HLZ] to give sufficient conditions for a category to have these properties. Throughout this section, we will let $\mathcal{M}_{sg}$ (respectively, $\mathcal{GM}_{sg}$) denote the category of the strongly $\tilde{A}$-graded (respectively, generalized) $V$-modules. We are going to study the subcategory $\mathcal{C}$ of $\mathcal{M}_{sg}$ (respectively, $\mathcal{GM}_{sg}$) satisfying the following assumptions. ###### Assumption 7.1 We shall assume the following: * • $A$ is an abelian group and $\tilde{A}$ is an abelian group containing $A$ as a subgroup. * • $V$ is a strongly $A$-graded conformal vertex algebra with a strongly $A_{0}\subset A$-graded vertex subalgebra $V_{0}$ and $V$ is an object of $\cal{C}$ as a $V$-module. * • All (generalized) $V$-modules are lower bounded, satisfy the $C_{1}$-cofiniteness condition as $V_{0}$-modules and for any two fixed elements $\beta_{1}$ and $\beta_{2}$ in $\tilde{A}$ and any triple of strongly graded generalized $V$-modules $M_{1}$, $M_{2}$ and $M_{3}$, the fusion rule $N_{M_{1}^{(\widetilde{\beta_{1}})}M_{2}^{(\widetilde{\beta_{2}})}}^{M_{3}^{(\widetilde{\beta_{1}}+\widetilde{\beta_{2}})}}\neq 0$ for only finitely many pairs $(\widetilde{\beta_{1}},\widetilde{\beta_{2}})\in(\beta_{1}+A_{0})\times(\beta_{2}+A_{0})$. * • For any object of $\cal{C}$, the (generalized) weights are real numbers and in addition there exist $K\in\mathbb{Z}$ such that $(L(0)-L(0)_{s})^{K}=0$ on the generalized module. * • $\cal{C}$ is closed under images, under the contragredient functor, under taking finite direct sums. Given objects $W_{1},W_{2},W_{3},W_{4},M_{1}$ and $M_{2}$ of the category $\cal{C}$, let $\mathcal{Y}_{1},\mathcal{Y}_{2},\mathcal{Y}^{1}$ and $\mathcal{Y}^{2}$ be logarithmic intertwining operators of types ${W_{4}\choose W_{1}\,M_{1}}$, ${M_{1}\choose W_{2}\,W_{3}}$, ${W_{4}\choose M_{2}\,W_{3}}$ and ${M_{2}\choose W_{1}\,W_{2}}$, respectively. We recall the following definitions and theorems from Section $11$ in [HLZ] (part VII): Convergence and extension property for products For any $\beta\in\tilde{A}$, there exists an integer $N_{\beta}$ depending only on $\mathcal{Y}_{1}$ and $\mathcal{Y}_{2}$ and $\beta$, and for any doubly homogeneous elements $w_{(1)}\in(W_{1})^{(\beta_{1})}$ and $w_{(2)}\in(W_{2})^{(\beta_{2})}$ $(\beta_{1},\beta_{2}\in\tilde{A})$ and any $w_{(3)}\in W_{3}$ and $w_{(4)}^{\prime}\in W_{4}^{\prime}$ such that $\beta_{1}+\beta_{2}=-\beta,$ there exist $M\in\mathbb{N}$, $r_{k},s_{k}\in\mathbb{R}$, $i_{k},j_{k}\in\mathbb{N}$, $k=1,\dots,M$, and analytic functions $f_{k}(z)$ on $|z|<1$, $k=1,\dots,M$, satisfying $\mbox{\rm wt}\ w_{(1)}+\mbox{\rm wt}\ w_{(2)}+s_{k}>N_{\beta},\ k=1,\dots,M,$ such that $\langle w_{(4)}^{\prime},\mathcal{Y}_{1}(w_{(1)},x_{1})\mathcal{Y}_{2}(w_{(2)},x_{2})w_{(3)}\rangle_{W_{4}}|_{x_{1}=z_{1},\ x_{2}=z_{2}}$ is absolutely convergent when $|z_{1}|>|z_{2}|>0$ and can be analytically extended to the multivalued analytic function $\sum_{k=1}^{M}z_{2}^{r_{k}}(z_{1}-z_{2})^{s_{k}}(\log z_{2})^{i_{k}}(\log(z_{1}-z_{2}))^{j_{k}}f_{k}(\frac{z_{1}-z_{2}}{z_{2}})$ (here $\log(z_{1}-z_{2})$ and $\log z_{2}$, and in particular, the powers of the variables, mean the multivalued functions, not the particular branch we have been using) in the region $|z_{2}|>|z_{1}-z_{2}|>0$. Convergence and extension property without logarithms for products When $i_{k}=j_{k}=0$ for $k=1,\dots,M$, we call the property above the convergence and extension property without logarithms for products. Convergence and extension property for iterates For any $\beta\in\tilde{A}$, there exists an integer $\tilde{N_{\beta}}$ depending only on $\mathcal{Y}^{1}$ and $\mathcal{Y}^{2}$ and $\beta$, and for any doubly homogeneous elements $w_{(1)}\in(W_{1})^{(\beta_{1})}$ and $w_{(2)}\in(W_{2})^{(\beta_{2})}$ $(\beta_{1},\beta_{2}\in\tilde{A})$ and any $w_{(3)}\in W_{3}$ and $w_{(4)}^{\prime}\in W_{4}^{\prime}$ such that $\beta_{1}+\beta_{2}=-\beta,$ there exist $\tilde{M}\in\mathbb{N}$, $\tilde{r_{k}},\tilde{s_{k}}\in\mathbb{R}$, $\tilde{i_{k}},\tilde{j_{k}}\in\mathbb{N}$, $k=1,\dots,\tilde{M}$, and analytic functions $\tilde{f_{k}}(z)$ on $|z|<1$, $k=1,\dots,M$, satisfying $\mbox{\rm wt}\ w_{(1)}+\mbox{\rm wt}\ w_{(2)}+\tilde{s_{k}}>\tilde{N_{\beta}},\ k=1,\dots,\tilde{M},$ such that $\langle w_{(0)}^{\prime},\mathcal{Y}_{1}(\mathcal{Y}_{2}(w_{(1)},x_{0})w_{(2)},x_{2})w_{(3)}\rangle_{W_{4}}|_{x_{0}=z_{1}-z_{2},\ x_{2}=z_{2}}$ is absolutely convergent when $|z_{2}|>|z_{1}-z_{2}|>0$ and can be analytically extended to the multivalued analytic function $\sum_{k=1}^{\tilde{M}}z_{1}^{\tilde{r_{k}}}z_{2}^{\tilde{s_{k}}}(\log z_{1})^{\tilde{i_{k}}}(\log z_{2})^{\tilde{j_{k}}}\tilde{f_{k}}(\frac{z_{2}}{z_{1}})$ (here $\log z_{1}$ and $\log z_{2}$, and in particular, the powers of the variables, mean the multivalued functions, not the particular branch we have been using) in the region $|z_{1}|>|z_{2}|>0$. Convergence and extension property without logarithmic for iterates When $i_{k}=j_{k}=0$ for $k=1,\dots,M$, we call the property above the convergence and extension property without logarithms for iterates. If the convergence and extension property (with or without logarithms) for products holds for any objects $W_{1},W_{2},W_{3},W_{4}$ and $M_{1}$ of $\cal{C}$ and any logarithmic intertwining operators $\mathcal{Y}_{1}$ and $\mathcal{Y}_{2}$ of the types as above, we say that the convergence and extension property for products holds in $\cal{C}$. We similarly define the meaning of the phrase the convergence and extension property for iterates holds in $\cal{C}$. The following theorem generalizes Theorem $11.8$ in [HLZ] to the strongly graded generalized modules for a strongly graded conformal vertex algebra: ###### Theorem 7.2 Let $V$ be a strongly graded conformal vertex algebra. Then * 1. The convergence and extension properties for products and iterates hold in $\cal{C}$. If $\cal{C}$ is in $\mathcal{M}_{sg}$ and if every object of $\cal{C}$ is a direct sum of irreducible objects of $\cal{C}$ and there are only finitely many irreducible objects of $\cal{C}$ (up to equivalence), then the convergence and extension properties without logarithms for products and iterates hold in $\cal{C}$. * 2. For any $n\in\mathbb{Z}_{+}$, any objects $W_{1},\dots,W_{n+1}$ and $\widetilde{W_{1}},\dots,\widetilde{W_{n-1}}$ of $\cal{C}$, any logarithmic intertwining operators $\mathcal{Y}_{1},\mathcal{Y}_{2},\dots,\mathcal{Y}_{n-1},\mathcal{Y}_{n}$ of types ${W_{0}\choose W_{1}\,\widetilde{W_{1}}},{\widetilde{W_{1}}\choose W_{2}\,\widetilde{W_{2}}},\dots,{\widetilde{W_{n-2}}\choose W_{n-1}\,\widetilde{W_{n-1}}},{\widetilde{W_{n-1}}\choose W_{n}\,W_{n+1}},$ respectively, and any $w_{(0)}^{\prime}\in W_{0}^{\prime}$, $w_{(1)}\in W_{1},\dots,W_{(n+1)}\in W_{n+1}$, the series $\langle w_{(0)}^{\prime},\mathcal{Y}_{1}(w_{(1)},z_{1})\cdots\mathcal{Y}_{n}(w_{(n)},z_{n})w_{(n+1)}\rangle$ is absolutely convergent in the region $|z_{1}|>\cdots>|z_{n}|>0$ and its sum can be analytically extended to a multivalued analytic function on the region given by $z_{1}\neq 0$, $i=1,\dots,n$, $z_{i}\neq z_{j}$, $i\neq j$, such that for any set of possible singular points with either $z_{i}=0,z_{i}=\infty$ or $z_{i}=z_{j}$ for $i\neq j$, this multivalued analytic function can be expanded near the singularity as a series having the same form as the expansion near the singular points of a solution of a system of differential equations with regular singular points. Proof. The first statement in the first part and the statement in the second part of the theorem follow directly from Theorem 5.7 and Theorem 6.5 and the theorem of differential equations with regular singular points. The second statement in the first part can be proved using the same method in [H]. In order to construct braided tensor category on the category of strongly graded generalized $V$-modules, we need the following assumption on $\cal{C}$ (see Assumption 10.1, Theorem 11.4 of [HLZ]). ###### Assumption 7.3 Suppose the following two conditions are satisfied: * 1. $\mathcal{C}$ is closed under $P(z)$-tensor products for some $z\in\mathbb{C}^{\times}$. * 2. Every finite-generated lower bounded doubly graded generalized $V$-module is an object of $\mathcal{C}$. ###### Conjecture 7.4 We conjectured that the category of certain strongly graded generalized $V$-modules satisfying the first condition in Assumption 7.3. The case for the vertex operator algebra was proved in [H1]. Under Assumption 7.1 and Assumption 7.3 on the category $\mathcal{C}\subset\mathcal{GM}_{sg}$, we generalize the main result (Theorem 12.15) of [HLZ] to the category of strongly graded generalized modules for a strongly graded vertex algebra: ###### Theorem 7.5 Let $V$ be a strongly graded conformal vertex algebra. Then the category $\mathcal{C}$, equipped with the tensor product bifunctor $\boxtimes$, the unit object $V$, the braiding isomorphism $\mathcal{R}$, the associativity isomorphism $\mathcal{A}$, and the left and right unit isomorphisms $l$ and $r$ in [HLZ], is an additive braided tensor category. In the case that $\cal{C}$ is an abelian category, we have: ###### Corollary 7.6 If the category $\cal{C}$ is an abelian category, then $\mathcal{C}$, equipped with the tensor product bifunctor $\boxtimes$, the unit object $V$, the braiding isomorphism $\mathcal{R}$, the associativity isomorphism $\mathcal{A}$, and the left and right unit isomorphisms $l$ and $r$ in [HLZ], is a braided tensor category. ## REFERENCES * [B1] R. E. Borcherds, Monstrous moonshine and the monstrous Lie superalgebras, Invent. Math. 109 (1992), 405–444. * [B2] R. E. Borcherds, Vertex algebras, Kac-Moody algebras, and the Monster, Proc. Natl. Acad. Sci. USA 83 (1986), 3068–3071. * [D] C. Dong, Vertex algebras associated with even lattices, J. of Algebra 161 (1993), 245–265. * [DLM] C. Dong, H. Li and G. Mason, Regularity of rational vertex operator algebras, Adv. Math. 132 (1997), 148–166. * [FHL] I. B. Frenkel, Y.-Z. Huang and J. Lepowsky, On axiomatic approaches to vertex operator algebras and modules, Mem. Amer. Math. Soc. 104, Amer. Math. Soc., Providence, 1993, no. 494 (preprint, 1989). * [FLM] I. B. Frenkel, J. Lepowsky and A. Meurman, Vertex Operator Algebras and the Monster, Pure and Appl. Math., Vol. 134, Academic Press, Boston, 1988. * [H] Y.-Z. Huang, Differential equations and intertwining operators, Comm. Contemp. Math. 7 (2005), 375–400. * [H1] Y.-Z. Huang, Cofiniteness conditions, projective covers and the logarithmic tensor product theory, J. Pure Appl. Alg. 213 (2009), 458–475. * [HLZ] Y.-Z. Huang, J. Lepowsky and L. Zhang, Logarithmic tensor category theory for generalized modules for a conformal vertex algebra, Parts I - VIII, arXiv:1012.4193, arXiv:1012.4196, arXiv:1012.4197, arXiv:1012.4198, arXiv:1012.4199, arXiv:1012.4202, arXiv:1110.1929, arXiv:1110.1931. * [K] A. W. Knapp, Representation Theory of Semisimple Groups, Princeton University Press, Princeton, New Jersey, 1986. * [LL] J. Lepowsky and H. Li, Introduction to Vertex Operator Algebras and Their Representations, Progress in Math., Vol. 227, Birkhäuser, Boston, 2003. * [Y] J. Yang, Tensor products of strongly graded vertex algebras and their modules, J. Pure Appl. Alg. 217 (2013), 348–363. Department of Mathematics, Rutgers University, 110 Frelinghuysen Rd., Piscataway, NJ 08854-8019 E-mail address: [email protected]
arxiv-papers
2013-03-30T21:17:25
2024-09-04T02:49:43.654839
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "Jinwei Yang", "submitter": "Jinwei Yang", "url": "https://arxiv.org/abs/1304.0138" }
1304.0292
# Semiconcave functions in Alexandrov’s geometry Anton Petrunin111Supported in part by the National Science Foundation under grant # DMS-0406482. ###### Abstract The following is a compilation of some techniques in Alexandrov’s geometry which are directly connected to convexity. ## 0 Introduction This paper is not about results, it is about available techniques in Alexandrov’s geometry which are linked to semiconcave functions. We consider only spaces with lower curvature bound, but most techniques described here also work for upper curvature bound and even in more general settings. Many proofs are omitted, I include only those which necessary for a continuous story and some easy ones. The proof of the existence of quasigeodesics is included in appendix A (otherwise it would never be published). I did not bother with rewriting basics of Alexandrov’s geometry but I did change notation, so it does not fit exactly in any introduction. I tried to make it possible to read starting from any place. As a result the dependence of statements is not linear, some results in the very beginning depend on those in the very end and vice versa (but there should not be any cycle). Here is a list of available introductions to Alexandrov’s geometry: 1. $\diamond$ [BGP] and its extension [Perelman 1991] is the first introduction to Alexandrov’s geometry. I use it as the main reference. Some parts of it are not easy to read. In the English translation of [BGP] there were invented some militaristic terms, which no one ever used, mainly _burst point_ should be _strained point_ and _explosion_ should be _collection of strainers_. 2. $\diamond$ [Shiohama] intoduction to Alexandrov’s geometry, designed to be reader friendly. 3. $\diamond$ [Plaut 2002] A survey in Alexandrov’s geometry written for topologists. The first 8 sections can be used as an introduction. The material covered in my paper is closely related to sections 7–10 of this survey. 4. $\diamond$ [BBI, Chapter 10] is yet an other reader friendly introduction. I want to thank Karsten Grove for making me write this paper, Stephanie Alexander, Richard Bishop, Sergei Buyalo, Vitali Kapovitch, Alexander Lytchak and Conrad Plaut for many useful discussions during its preparation and correction of mistakes, Irina Pugach for correcting my English. ###### Contents 1. 0 Introduction 1. 0.1 Notation and conventions 2. 1 Semi-concave functions. 1. 1.1 Definitions 2. 1.2 Variations of definition. 3. 1.3 Differential 3. 2 Gradient curves. 1. 2.1 Definition and main properties 2. 2.2 Gradient flow 3. 2.3 Applications 4. 3 Gradient exponent 1. 3.2 Spherical and hyperbolic gradient exponents 2. 3.3 Applications 5. 4 Extremal subsets 1. 4.1 Definition and properties. 2. 4.2 Applications 6. 5 Quasigeodesics 1. 5.1 Definition and properties 2. 5.2 Applications. 7. 6 Simple functions 1. 6.2 Smoothing trick. 8. 7 Controlled concavity 1. 7.2 General definition. 2. 7.3 Applications 9. 8 Tight maps 1. 8.2 Applications. 10. 9 Please deform an Alexandrov’s space. 11. A Existence of quasigeodesics 1. A.0 Step 0: Monotonic curves 2. A.1 Step 1: Convex curves. 3. A.2 Step 2: Pre-quasigeodesics 4. A.3 Step 3: Quasigeodesics 5. A.4 Quasigeodesics in extremal subsets. ### 0.1 Notation and conventions 1. $\diamond$ By $\text{{\nnn Alex}}^{m}(\kappa)$ we will denote the class of $m$-dimensional Alexandrov’s spaces with curvature $\geqslant\kappa$. In this notation we may omit $\kappa$ and $m$, but if not stated otherwise we assume that dimension is finite. 2. $\diamond$ Gromov–Hausdorff convergence is understood with fixed sequence of approximations. I.e. once we write $X_{n}\buildrel\mathrm{GH}\over{\longrightarrow}X$ that means that we fixed a sequence of Hausdorff approximations $f_{n}\colon X_{n}\to X$ (or equivalently $g_{n}\colon X\to X_{n}$). This makes possible to talk about limit points in $X$ for a sequence $x_{n}\in X_{n}$, limit of functions $f_{n}\colon X_{n}\to\mathbb{R}$, Hausdorff limit of subsets $S_{n}\subset X_{n}$ as well as weak limit of measures $\mu_{n}$ on $X_{n}$. 3. $\diamond$ regular fiber — see page 32 4. $\diamond$ $\measuredangle xyz$ — angle at $y$ in a geodesic triangle $\triangle xyz\subset A$ 5. $\diamond$ $\measuredangle(\xi,\eta)$ — an angle between two directions $\xi,\eta\in\Sigma_{p}$ 6. $\diamond$ $\tilde{\measuredangle}_{\kappa}xyz$ — a comparison angle, i.e. angle of the model triangle $\tilde{\triangle}xyz$ in $\hbox{\tencyr L}_{\kappa}$ at $y$. 7. $\diamond$ $\tilde{\measuredangle}_{\kappa}(a,b,c)$ — an angle opposite $b$ of a triangle in $\hbox{\tencyr L}_{\kappa}$ with sides $a,b$ and $c$. In case $a+b<c$ or $b+c<a$ we assume $\tilde{\measuredangle}_{\kappa}(a,b,c)=0$. 8. $\diamond$ $\uparrow_{p}^{q}$ — a direction at $p$ of a minimazing geodesic from $p$ to $q$ 9. $\diamond$ $\Uparrow_{p}^{q}$ — the set of all directions at $p$ of minimizing geodesics from $p$ to $q$ 10. $\diamond$ $A$ — usually an Alexandrov’s space 11. $\diamond$ $\operatorname{argmax}$ — see page 8 12. $\diamond$ $\partial A$ — boundary of $A$ 13. $\diamond$ $\operatorname{dist}_{x}(y)=|xy|$ — distance between $x$ and $y$ 14. $\diamond$ $d_{p}f$ — differential of $f$ at $p$, see page 1.3.1 15. $\diamond$ $\operatorname{gexp}_{p}$ — see section 3 16. $\diamond$ $\operatorname{gexp}_{p}(\kappa;v)$ — see section 3.2 17. $\diamond$ $\gamma^{\pm}$ — right/left tangent vector, see 2.1 18. $\diamond$ $\hbox{\tencyr L}_{\kappa}$ — model plane see page 4 19. $\diamond$ $\hbox{\tencyr L}_{\kappa}^{+}$ — model halfplane see page 3.3 20. $\diamond$ $\hbox{\tencyr L}_{\kappa}^{m}$ — model $m$-space, see page 7 21. $\diamond$ $\log_{p}$ — see page 1.3.2 22. $\diamond$ $\nabla_{p}f$ — gradient of $f$ at $p$, see definition 1.3.2 23. $\diamond$ $\rho_{\kappa}$ — see page 1.2. 24. $\diamond$ $\Sigma(X)$ — the spherical suspension over $X$ see [BGP, 4.3.1], in [Plaut 2002, 89] and [Berestovskii] it is called _spherical cone_. 25. $\diamond$ $\sigma_{\kappa}$ — see footnote 16 on page 16. 26. $\diamond$ $T_{p}=T_{p}A$ — tangent cone at $p\in A$, see page 1.3. 27. $\diamond$ $T_{p}E$ — see page 4.1.5 28. $\diamond$ $\Sigma_{p}=\Sigma_{p}A$ — see footnote 5 on page 5. 29. $\diamond$ $\Sigma_{p}E$ — see page 29 30. $\diamond$ $f^{\pm}$ — see page 2.1 ## 1 Semi-concave functions. ### 1.1 Definitions ###### 1.1.1. Definition for a space without boundary. Let $A\in\text{{\nnn Alex}}$, $\partial A=\varnothing$ and $\Omega\subset A$ be an open subset. A locally Lipschitz function $f\colon\Omega\rightarrow\mathbb{R}$ is called $\lambda$-_concave_ if for any unit-speed geodesic $\gamma$ in $\Omega$, the function $f\circ\gamma(t)-\tfrac{\lambda}{2}{\cdot}t^{2}$ is concave. If $A$ is an Alexandrov’s space with non-empty boundary222Boundary of Alexandrov’s space is defined in [BGP, 7.19]., then its doubling333i.e. two copies of $A$ glued along their boundaries. $\tilde{A}$ is also an Alexandrov’s space (see [Perelman 1991, 5.2]) and $\partial\tilde{A}=\varnothing$. Set $\mathtt{p}\colon\tilde{A}\to A$ to be the canonical map. ###### 1.1.2. Definition for a space with boundary. Let $A\in\text{{\nnn Alex}}$, $\partial A\not=\varnothing$ and $\Omega\subset A$ be an open subset. A locally Lipschitz function $f\colon\Omega\rightarrow\mathbb{R}$ is called $\lambda$-_concave_ if $f\circ\mathtt{p}$ is $\lambda$-concave in $\mathtt{p}^{-1}(\Omega)\subset\tilde{A}$. Remark. Note that the restriction of a linear function on $\mathbb{R}^{n}$ to a ball is not $0$-concave in this sense. ### 1.2 Variations of definition. A function $f\colon A\to\mathbb{R}$ is called semiconcave if for any point $x\in A$ there is a neighborhood $\Omega_{x}\ni x$ and $\lambda\in\mathbb{R}$ such that the restriction $f|_{\Omega_{x}}$ is $\lambda$-concave. Let $\varphi\colon\mathbb{R}\to\mathbb{R}$ be a continuous function. A function $f\colon A\to\mathbb{R}$ is called _$\varphi(f)$ -concave_ if for any point $x\in A$ and any $\varepsilon>0$ there is a neighborhood $\Omega_{x}\ni x$ such that $f|_{\Omega_{x}}$ is $(\varphi\circ f(x)+\varepsilon)$-concave For the Alexandrov’s spaces with curvature $\geqslant\kappa$, it is natural to consider the class of $(1-\kappa{\cdot}f)$-concave functions. The advantage of such functions comes from the fact that on the model space444 i.e. the simply connected 2-manifold of constant curvature $\kappa$ (the Russian L is for Lobachevsky) $\hbox{\tencyr L}_{\kappa}$, one can construct model $(1-\kappa{\cdot}f)$-concave functions which are equally concave in all directions at any fixed point. The most important example of $(1-\kappa{\cdot}f)$-concave function is $\rho_{\kappa}\circ\operatorname{dist}_{x}$, where $\operatorname{dist}_{x}(y)=|xy|$ denotes distance function from $x$ to $y$ and $\rho_{\kappa}(x)=\left[\begin{matrix}\tfrac{1}{\kappa}{\cdot}(1-\cos(x{\cdot}\sqrt{\kappa}))&{\text{if }}&\kappa>0\\\ x^{2}/2&{\text{if }}&\kappa=0\\\ \tfrac{1}{\kappa}{\cdot}(\operatorname{ch}(x{\cdot}\sqrt{-\kappa})-1)&{\text{if }}&k<0\end{matrix}\right.$ In the above definition of $\lambda$-concave function one can exchange Lipschitz continuity for usual continuity. Then it will define the same set of functions, see corollary 3.3.2. ### 1.3 Differential Given a point $p$ in an Alexandrov’s space $A$, we denote by $T_{p}=T_{p}A$ the tangent cone at $p$. For an Alexandrov’s space, the tangent cone can be defined in two equivalent ways (see [BGP, 7.8.1]): 1. $\diamond$ As a cone over space of directions at a point and 2. $\diamond$ As a limit of rescalings of the Alexandrov’s space, i.e.: Given $s>0$, we denote the space $(A,s{\cdot}d)$ by $s{\cdot}A$, where $d$ denotes the metric of an Alexandrov’s space $A$, i.e. $A=(A,d)$. Let $i_{s}\colon s{\cdot}A\to A$ be the canonical map. The limit of $(s{\cdot}A,p)$ for $s\to\infty$ is the tangent cone $(T_{p},o_{p})$ at $p$ with marked origin $o_{p}$. ###### 1.3.1. Definition. Let $A\in\text{{\nnn Alex}}$ and $\Omega\subset A$ be an open subset. For any function $f\colon\Omega\rightarrow\mathbb{R}$ the function $d_{p}f\colon T_{p}\rightarrow\mathbb{R}$, $p\in\Omega$ defined by $d_{p}f=\lim_{s\to\infty}s{\cdot}(f\circ i_{s}-f(p)),\ \ f\circ i_{s}\colon s{\cdot}A\to\mathbb{R}$ is called the _differential_ of $f$ at $p$. It is easy to see that the differential $d_{p}f$ is well defined for any semiconcave function $f$. Moreover, $d_{p}f$ is a concave function on the tangent cone $T_{p}$ which is positively homogeneous, i.e. $d_{p}f(r\cdot v)=r\cdot d_{p}f(v)$ for $r\geqslant 0$. #### Gradient. With a slight abuse of notation, we will call elements of the tangent cone $T_{p}$ the “tangent vectors” at $p$. The origin $o=o_{p}$ of $T_{p}$ plays the role of a “zero vector”. For a tangent vector $v$ at $p$ we define its absolute value $|v|$ as the distance $|ov|$ in $T_{p}$. For two tangent vectors $u$ and $v$ at $p$ we can define their “scalar product” $\langle u,v\rangle\buildrel\mathrm{def}\over{=}(|u|^{2}+|v|^{2}-|uv|^{2})/2=|u|\cdot|v|\cdot\cos\alpha,$ where $\alpha=\measuredangle uov=\tilde{\measuredangle}_{0}uov$ in $T_{p}$. It is easy to see that for any $u\in T_{p}$, the function $x\mapsto-\langle u,x\rangle$ on $T_{p}$ is concave. ###### 1.3.2. Definition. Let $A\in\text{{\nnn Alex}}$ and $\Omega\subset A$ be an open subset. Given a $\lambda$-concave function $f\colon\Omega\to\mathbb{R}$, a vector $g\in T_{p}$ is called a _gradient_ of $f$ at $p\in\Omega$ (in short: $g=\nabla_{p}f$) if (i) $d_{p}f(x)\leqslant\langle g,x\rangle\ \hbox{for any}\ x\in T_{p}$, and (ii) $d_{p}f(g)=\langle g,g\rangle.$ It is easy to see that any $\lambda$-concave function $f\colon\Omega\to\mathbb{R}$ has a uniquely defined gradient vector field. Moreover, if $d_{p}f(x)\leqslant 0$ for all $x\in T_{p}$, then $\nabla_{p}f=o_{p}$; otherwise, $\nabla_{p}f=d_{p}f(\xi_{\max})\cdot\xi_{\max}$ where $\xi_{\max}\in\Sigma_{p}$555By $\Sigma_{p}\subset T_{p}$ we denote the set of unit vectors, which we also call directions at $p$. The space $(\Sigma_{p},\measuredangle)$ with angle metric is an Alexandrov’s space with curvature $\geqslant 1$. $(\Sigma_{p},\measuredangle)$ it is also path- isometric to the subset $\Sigma_{p}\subset T_{p}$. is the (necessarily unique) unit vector for which the function $d_{p}f$ attains its maximum. For two points $p,q\in A$ we denote by $\uparrow_{p}^{q}\,\in\Sigma_{p}$ a direction of a minimizing geodesic from $p$ to $q$. Set $\log_{p}q=|pq|\cdot\mskip-3.0mu\mskip-3.0mu\uparrow_{p}^{q}\in T_{p}$. In general, $\uparrow_{p}^{q}$ and $\log_{p}q$ are not uniquely defined. The following inequalities describe an important property of the “gradient vector field” which will be used throughout this paper. $p$$q$$\uparrow_{p}^{q}$$\uparrow_{q}^{p}$$\ell$$\nabla_{p}f$$\nabla_{q}f$ ###### 1.3.3. Lemma. Let $A\in\text{{\nnn Alex}}$ and $\Omega\subset A$ be an open subset, $f\colon\Omega\to\mathbb{R}$ be a $\lambda$-concave function. Assume all minimizing geodesics between $p$ and $q$ belong to $\Omega$, set $\ell=|pq|$. Then $\langle\uparrow_{p}^{q},\nabla_{p}f\rangle\geqslant{\\{f(q)-f(p)-\tfrac{\lambda}{2}{\cdot}\ell^{2}\\}}/{\ell},$ and in particular $\langle\uparrow_{p}^{q},\nabla_{p}f\rangle+\langle\uparrow_{q}^{p},\nabla_{q}f\rangle\geqslant-\lambda{\cdot}\ell.$ Proof. Let $\gamma\colon[0,\ell]\to\Omega$ be a unit-speed minimizing geodesic from $p$ to $q$, so $\gamma(0)=p,\ \ \gamma(\ell)=q,\ \ \gamma^{+}(0)=\uparrow_{p}^{q}.$ From definition 1.3.2 and the $\lambda$-concavity of $f$ we get $\displaystyle\langle\uparrow_{p}^{q},\nabla_{p}f\rangle$ $\displaystyle=\langle\gamma^{+}(0),\nabla_{p}f\rangle\geqslant$ $\displaystyle\geqslant d_{p}f(\gamma^{+}(0))=$ $\displaystyle=(f\circ\gamma)^{+}(0)\geqslant$ $\displaystyle\geqslant\frac{f\circ\gamma(\ell)-f\circ\gamma(0)-\tfrac{\lambda}{2}{\cdot}\ell^{2}}{\ell}$ and the first inequality follows (for definition of $\gamma^{+}$ and $(f\circ\gamma)^{+}$ see 2.1). The second inequality is just a sum of two of the first type. ∎ ###### 1.3.4. Lemma. Let $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$. Let $f_{n}\colon A_{n}\to\mathbb{R}$ be a sequence of $\lambda$-concave functions and $f_{n}\to f\colon A\to\mathbb{R}$. Let $x_{n}\in A_{n}$ and $x_{n}\to x\in A$. Then $|\nabla_{x}f|\leqslant\liminf_{n\to\infty}|\nabla_{x_{n}}f_{n}|.$ In particular we have lower-semicontinuity of the function $x\mapsto|\nabla_{x}f|$: ###### 1.3.5. Corollary. Let $A\in\text{{\nnn Alex}}$ and $\Omega\subset A$ be an open subset. If $f\colon\Omega\to\mathbb{R}$ is a semiconcave function then the function $x\mapsto|\nabla_{x}f|$ is lower-semicontinuos, i.e. for any sequence $x_{n}\to x\in\Omega$, we have $|\nabla_{x}f|\leqslant\liminf_{n\to\infty}|\nabla_{x_{n}}f|.$ Proof of lemma 1.3.4. Fix an $\varepsilon>0$ and choose $q$ near $p$ such that $\frac{f(q)-f(p)}{|pq|}>|\nabla_{p}f|-\varepsilon.$ Now choose $q_{n}\in A_{n}$ such that $q_{n}\to q$. If $|pq|$ is sufficiently small and $n$ is sufficiently large, the $\lambda$-concavity of $f_{n}$ then implies that $\liminf_{n\to\infty}d_{p_{n}}f_{n}(\uparrow_{p_{n}}^{q_{n}})\geqslant|\nabla_{p}f|-2{\cdot}\varepsilon.$ Hence, $\liminf_{n\to\infty}|\nabla_{p_{n}}f_{n}|\geqslant|\nabla_{p}f|-2{\cdot}\varepsilon\ \ \text{for any}\ \ \varepsilon>0$ and therefore $\liminf_{n\to\infty}|\nabla_{p_{n}}f_{n}|\geqslant|\nabla_{p}f|.$ ∎ #### Supporting and polar vectors. ###### 1.3.6. Definition. Assume $A\in\text{{\nnn Alex}}$ and $\Omega\subset A$ is an open subset, $p\in\Omega$, let $f\colon\Omega\to\mathbb{R}$ be a semiconcave function. A vector $s\in T_{p}$ is called a _supporting vector_ of $f$ at $p$ if $d_{p}f(x)\leqslant-\langle s,x\rangle\ \ \hbox{for any}\ \ x\in T_{p}$ The set of supporting vectors is not empty, i.e. ###### 1.3.7. Lemma. Assume $A\in\text{{\nnn Alex}}$ and $\Omega\subset A$ is an open subset, $f\colon\Omega\to\mathbb{R}$ is a semiconcave function, $p\in\Omega$. Then set of supporting vectors of $f$ at $p$ form a non-empty convex subset of $T_{p}$. Proof. Convexity of the set of supporting vectors follows from concavity of the function $x\to-\langle u,x\rangle$ on $T_{p}$. To show existence, consider a minimum point $\xi_{\min}\in\Sigma_{p}$ of the function $d_{p}f|_{\Sigma_{p}}$. We will show that the vector $s=\left[-d_{p}f(\xi_{\min})\right]\cdot\xi_{\min}$ is a supporting vector for $f$ at $p$. Assume that we know the existence of supporting vectors in dimension $<m$. Applying it to $d_{p}f|_{\Sigma_{p}}$ at $\xi_{\min}$, we get $d_{\xi_{\min}}(d_{p}f|_{\Sigma_{p}})\equiv 0$. Therefore, since $d_{p}f|_{\Sigma_{p}}$ is $(-d_{p}f)$-concave (see section 1.2) for any $\eta\in\Sigma_{p}$ we have $d_{p}f(\eta)\leqslant d_{p}f(\xi_{\min})\cdot\cos\measuredangle(\xi_{\min},\eta)$ hence the result. ∎ In particular, it follows that if the space of directions $\Sigma_{p}$ has a diameter666We always consider $\Sigma_{p}$ with angle metric. $\leqslant\tfrac{\pi}{2}$ then $\nabla_{p}f=o$ for any $\lambda$-concave function $f$. Clearly, for any vector $s$, supporting $f$ at $p$ we have $|s|\geqslant|\nabla_{p}f|.$ ###### 1.3.8. Definition. Two vectors $u,v\in T_{p}$ are called _polar_ if for any vector $x\in T_{p}$ we have $\langle u,x\rangle+\langle v,x\rangle\geqslant 0.$ More generally, a vector $u\in T_{p}$ is called polar to a set of vectors $\mathcal{V}\subset T_{p}$ if $\langle u,x\rangle+\sup_{v\in\mathcal{V}}\langle v,x\rangle\geqslant 0.$ Note that if $u,v\in T_{p}$ are polar to each other then $d_{p}f(u)+d_{p}f(v)\leqslant 0.$ $None$ Indeed, if $s$ is a supporting vector then $d_{p}f(u)+d_{p}f(v)\leqslant-\langle s,u\rangle-\langle s,v\rangle\leqslant 0.$ Similarly, if $u$ is polar to a set $\mathcal{V}$ then $d_{p}f(u)+\inf_{v\in\mathcal{V}}\\{d_{p}f(v)\\}\leqslant 0.$ $None$ Examples of pairs of polar vectors. 1. (i) If two vectors $u,v\in T_{p}$ are _antipodal_ , i.e. $|u|=|v|$ and $\measuredangle uo_{p}v=\pi$ then they are polar to each other. In general, if $|u|=|v|$ then they are polar if and only if for any $x\in T_{p}$ we have $\measuredangle uo_{p}x+\measuredangle xo_{p}v\leqslant\pi$. 2. (ii) If $\uparrow_{q}^{p}$ is uniquely defined then $\uparrow_{q}^{p}$ is polar to $\nabla_{q}\operatorname{dist}_{p}$. More generally, if $\Uparrow_{p}^{q}\subset\Sigma_{p}$ denotes the set of all directions from $p$ to $q$ then $\nabla_{q}\operatorname{dist}_{p}$ is polar to the set $\Uparrow_{q}^{p}$. Both statement follow from the identity $d_{q}(v)=\min_{\xi\in\Uparrow_{q}^{p}}\\{-\langle\xi,v\rangle\\}$ and the definition of gradient (see 1.3.2). Given a vector $v\in T_{p}$, applying above property (ii) to the function $\operatorname{dist}_{v}\colon T_{p}\to\nobreak\mathbb{R}$ we get that $\nabla_{o}f_{v}$ is polar to $\uparrow_{o}^{v}$. Since there is a natural isometry $T_{o}T_{p}\to T_{p}$ we have ###### 1.3.9. Lemma. Given any vector $v\in T_{p}$ there is a polar vector $v^{*}\in T_{p}$. Moreover, one can assume that $|v^{*}|\leqslant|v|$ In A.3.2 using quasigeodesics we will show that in fact one can assume $|v^{*}|=|v|$ ## 2 Gradient curves. The technique of gradient curves was influenced by Sharafutdinov’s retraction, see [Sharafutdinov]. These curves were designed to simplify Perelman’s proof of existence of quasigeodesics. However, it turned out that gradient curves themselves provide a superior tool, which is in fact almost universal in Alexandrov’s geometry. Unlike most of Alexandrov’s techniques, gradient curves work equally well for infinitely dimensional Alexandrov’s spaces (the proof requires some quasifications, but essentially is the same), for spaces with curvature bounded above and for locally compact spaces with well defined tangent cone at each point, see [Lytchak]. It was pointed out to me that some traces of these properties can be found even in general metric spaces see [AGS]. ### 2.1 Definition and main properties Given a curve $\gamma(t)$ in an Alexandrov’s space $A$, we denote by $\gamma^{+}(t)$ the right, and by $\gamma^{-}(t)$ the left, tangent vectors to $\gamma(t)$, where, respectively, $\gamma^{\pm}(t)\in T_{\gamma(t)},\ \ \ \gamma^{\pm}(t)=\lim_{\varepsilon\to 0+}\frac{\log_{\gamma(t)}\gamma(t\pm\varepsilon)}{\varepsilon}.$ This sign convention is not quite standard; in particular, for a function $f\colon\mathbb{R}\to\mathbb{R}$, its right derivative is equal to $f^{+}$ and its left derivative is equal to $-f^{-}(t)$. For example $\ \ \text{if}\ \ f(t)=t\ \ \text{then}\ \ f^{+}(t)\equiv 1\ \ \text{and}\ \ f^{-}(t)\equiv-1.$ ###### 2.1.1. Definition. Let $A\in\text{{\nnn Alex}}$ and $f\colon A\to\mathbb{R}$ be a semiconcave function. A curve $\alpha(t)$ is called $f$-_gradient curve_ if for any $t$ $\alpha^{+}(t)=\nabla_{\alpha(t)}f.$ ###### 2.1.2. Proposition. Given a $\lambda$-concave function $f$ on an Alexandrov’s space $A$ and a point $p\in A$ there is a unique gradient curve $\alpha\colon[0,\infty)\rightarrow A$ such that $\alpha(0)=p$. The gradient curve can be constructed as a limit of broken geodesics, made up of short segments with directions close to the gradient. Convergence, uniqueness, follow from lemma 1.3.3, while corollary 1.3.5 guarantees that the limit is indeed a gradient curve. #### Distance estimates. ###### 2.1.3. Lemma. Let $A\in\text{{\nnn Alex}}$ and $f\colon A\to\mathbb{R}$ be a $\lambda$-concave function and $\alpha(t)$ be an $f$-gradient curve. Assume $\bar{\alpha}(s)$ is the reparametrization of $\alpha(t)$ by arclength. Then $f\circ\bar{\alpha}$ is $\lambda$-concave. Proof. For $s>s_{0}$, $\displaystyle(f\circ\bar{\alpha})^{+}(s_{0})$ $\displaystyle=|\nabla_{\bar{\alpha}(s_{0})}f|\geqslant$ $\displaystyle\geqslant d_{\bar{\alpha}(s_{0})}f\left(\uparrow_{\bar{\alpha}(s_{0})}^{\bar{\alpha}(s)}\right)\geqslant$ $\displaystyle\geqslant\frac{f(\bar{\alpha}(s))-f(\bar{\alpha}(s_{0}))-\tfrac{\lambda}{2}{\cdot}|\bar{\alpha}(s)\,\bar{\alpha}(s_{0})|^{2}}{|\bar{\alpha}(s)\,\bar{\alpha}(s_{0})|}.$ Therefore, since $s-s_{0}\geqslant|\bar{\alpha}(s)\,\bar{\alpha}(s_{0})|=s-s_{0}-o(s-s_{0})$, we have $(f\circ\bar{\alpha})^{+}(s_{0})\geqslant\frac{f(\bar{\alpha}(s))-f(\bar{\alpha}(s_{0}))-\tfrac{\lambda}{2}{\cdot}(s-s_{0})^{2}}{s-s_{0}}+o(s-s_{0})$ i.e. $f\circ\bar{\alpha}$ is $\lambda$-concave.∎ The following lemma states that there is a nice parametrization of a gradient curve (by $\vartheta_{\lambda}$) which makes them behave as a geodesic in some respects. ###### 2.1.4. Lemma. Let $A\in\text{{\nnn Alex}}$, $f\colon A\to\mathbb{R}$ be a $\lambda$-concave function and $\alpha,\beta\colon[0,\infty)\to A$ be two $f$-gradient curves with $\alpha(0)=p$, $\beta(0)=q$. Then 1. (i) for any $t\geqslant 0$, $|\alpha(t)\beta(t)|\leqslant e^{\lambda{\cdot}t}|pq|$ 2. (ii) for any $t\geqslant 0$, $|\alpha(t)q|^{2}\leqslant|pq|^{2}+\left\\{2{\cdot}f(p)-2{\cdot}f(q)+\lambda{\cdot}|pq|^{2}\right\\}\cdot\vartheta_{\lambda}(t)+|\nabla_{p}f|^{2}\cdot\vartheta^{2}_{\lambda}(t),$ where $\vartheta_{\lambda}(t)=\int_{0}^{t}e^{\lambda{\cdot}t}\cdot dt=\left[\begin{matrix}t&\text{if}&\lambda=0\\\ \frac{e^{\lambda{\cdot}t}-1}{\lambda}&\text{if}&\lambda\not=0\end{matrix}\right.$ 3. (iii) if $t_{p}\geqslant t_{q}\geqslant 0$ then $|\alpha(t_{p})\beta(t_{q})|^{2}\leqslant e^{2\lambda{\cdot}t_{q}}\bigl{[}|pq|^{2}+$ $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ +\left\\{2{\cdot}f(p)-2{\cdot}f(q)+\lambda{\cdot}|pq|^{2}\right\\}\cdot\vartheta_{\lambda}(t_{p}-t_{q})+$ $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ +|\nabla_{p}f|^{2}\cdot\vartheta^{2}_{\lambda}(t_{p}-t_{q})\bigr{]}.$ In case $\lambda>0$, this lemma can also be reformulated in a geometer- friendly way: 2.1.4${}^{\prime}\mskip-3.0mu\mskip-3.0mu\mskip-3.0mu$. Lemma. Let $\alpha$, $\beta$, $p$ and $q$ be as in lemma 2.1.4 and $\lambda>0$. Consider points $\tilde{o},\tilde{p},\tilde{q}\subset\mathbb{R}^{2}$ defined by the following: $|\tilde{p}\tilde{q}|=|pq|,\ \ \lambda{\cdot}|\tilde{o}\tilde{p}|=|\nabla_{p}f|,$ $\tfrac{\lambda}{2}{\cdot}\left(|\tilde{o}\tilde{q}|^{2}-|\tilde{o}\tilde{p}|^{2}\right)=f(q)-f(p)$ Let $\tilde{\alpha}(t)$ and $\tilde{\beta}(t)$ be $\left({\frac{\lambda}{2}{\cdot}\operatorname{dist}^{2}_{\tilde{o}}}\right)$-gradient curves in $\mathbb{R}^{2}$ with $\tilde{\alpha}(0)=\tilde{p}$, $\tilde{\beta}(0)=\tilde{q}$. Then, 1. (i) $|\alpha(t)q|\leqslant|\tilde{\alpha}(t)\tilde{q}|$ for any $t>0$ 2. (ii) $|\alpha(t)\beta(t)|\leqslant|\tilde{\alpha}(t)\tilde{\beta}(t)|$ 3. (iii) if $t_{p}\geqslant t_{q}$ then $|\alpha(t_{p})\beta(t_{q})|\leqslant|\tilde{\alpha}(t_{p})\tilde{\beta}(t_{q})|$ $p$$q$$\alpha(t)$$\beta$ Proof. (ii). If $\lambda=0$, from lemma 2.1.3 it follows that777For $\lambda\not=0$ it will be $f\circ\alpha(t)-f\circ\alpha(0)\leqslant\left|\nabla_{\bar{\alpha}(0)}f\right|^{2}\cdot[\vartheta_{\lambda}(t)+\tfrac{\lambda}{2}{\cdot}\vartheta_{\lambda}^{2}(t)]$. $f\circ\alpha(t)-f\circ\alpha(0)\leqslant\left|\nabla_{\bar{\alpha}(0)}f\right|^{2}\cdot t.$ Therefore from lemma 1.3.3, setting $\ell=\ell(t)=|q\alpha(t)|$, we get888For $\lambda\not=0$ it will be $\left({\ell^{2}}/2\right)^{\prime}-\tfrac{\lambda}{2}{\cdot}\ell^{2}\leqslant f(p)-f(q)+\left|\nabla_{p}f\right|^{2}\cdot[\vartheta_{\lambda}(t)+\tfrac{\lambda}{2}{\cdot}\vartheta_{\lambda}^{2}(t)]$. $\left({\ell^{2}}/2\right)^{\prime}\leqslant f(p)-f(q)+\left|\nabla_{p}f\right|^{2}\cdot t,$ hence the result. (i) follows from the second inequality in lemma 1.3.3; (iii) follows from (i) and (ii). ∎ #### Passage to the limit. The next lemma states that gradient curves behave nicely with Gromov–Hausdorff convergence, i.e. a limit of gradient curves is a gradient curve for the limit function. ###### 2.1.5. Lemma. Let $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $A_{n}\ni p_{n}\to p\in A$. Let $f_{n}\colon A_{n}\to\mathbb{R}$ be a sequence of $\lambda$-concave functions and $f_{n}\to f\colon A\to\mathbb{R}$. Let $\alpha_{n}\colon[0,\infty)\to A_{n}$ be the sequence of $f_{n}$-gradient curves with $\alpha_{n}(0)=p_{n}$ and let $\alpha\colon[0,\infty)\to A$ be the $f$-gradient curve with $\alpha(0)=p$. Then $\alpha_{n}\to\alpha$ as $n\to\infty$. Proof. Let $\bar{\alpha}_{n}(s)$ denote the reparametrization of $\alpha_{n}(t)$ by arc length. Since all $\bar{\alpha}_{n}$ are $1$-Lipschitz, we can choose a partial limit, say $\bar{\alpha}(s)$ in $A$. Note that we may assume that $f$ has no critical points and so $d(f\circ\bar{\alpha})\not=0$. Otherwise consider instead the sequence $A^{\prime}_{n}=A_{n}\times\mathbb{R}$ with $f^{\prime}_{n}(a\times x)=f_{n}(a)+x$. Clearly, $\bar{\alpha}$ is also 1-Lipschitz and hence, by Lemma 1.3.4, $\displaystyle\lim_{n\to\infty}f_{n}\circ\bar{\alpha}_{n}|_{a}^{b}$ $\displaystyle=\lim_{n\to\infty}\int_{a}^{b}|\nabla_{\bar{\alpha}_{n}(s)}f_{n}|\cdot ds\geqslant$ $\displaystyle\geqslant\int_{a}^{b}|\nabla_{\bar{\alpha}(s)}f|\cdot ds\geqslant$ $\displaystyle\geqslant\int_{a}^{b}d_{\bar{\alpha}(s)}f(\bar{\alpha}^{+}(s))\cdot ds=$ $\displaystyle=f\circ\bar{\alpha}|_{a}^{b},$ where $\bar{\alpha}^{+}(s)$ denotes any partial limit of $\log_{\bar{\alpha}(s)}\bar{\alpha}(s+\varepsilon)/\varepsilon$, $\varepsilon\to 0+$. On the other hand, since $\bar{\alpha}_{n}\to\bar{\alpha}$ and $f_{n}\to f$ we have $f_{n}\circ\bar{\alpha}_{n}|_{a}^{b}\to f\circ\bar{\alpha}|_{a}^{b}$, i.e. equality holds in both of these inequalities. Hence $|\nabla_{\bar{\alpha}(s)}f|=\lim_{n\to\infty}|\nabla_{\bar{\alpha}_{n}(s)}f_{n}|,\ \ \ |\bar{\alpha}^{+}(s)|=1\ \ \ \text{a.e.}$ and the directions of $\bar{\alpha}^{+}(s)$ and $\nabla_{\bar{\alpha}(s)}f$ coincide almost everywhere. This implies that $\bar{\alpha}(s)$ is a gradient curve reparametrized by arc length. It only remains to show that the original parameter $t_{n}(s)$ of $\alpha_{n}$ converges to the original parameter $t(s)$ of $\alpha$. Notice that $|\nabla_{\bar{\alpha}_{n}(s)}f_{n}|\cdot dt_{n}=ds$ or $dt_{n}/ds=ds/d(f_{n}\circ\bar{\alpha}_{n})$. Likewise, $dt/ds=ds/d(f\circ\bar{\alpha})$. Then the convergence $t_{n}\to t$ follows from the $\lambda$-concavity of $f_{n}\circ\bar{\alpha}_{n}$ (see Lemma 2.1.3) and the convergence $f_{n}\circ\bar{\alpha}_{n}\to f\circ\bar{\alpha}.$∎ ### 2.2 Gradient flow Let $f$ be a semi-concave function on an Alexandrov’s space $A$. We define the $f$-_gradient flow_ to be the one parameter family of maps $\Phi^{t}_{f}\colon A\to A,\ \ \Phi^{t}_{f}(p)=\alpha_{p}(t),$ where $t\geqslant 0$ and $\alpha_{p}\colon[0,\infty)\to A$ is the $f$-gradient curve which starts at $p$ (i.e. $\alpha_{p}(0)=p$). 999In general the domain of definition of $\Phi^{t}_{f}$ can be smaller than $A$, but it is defined on all $A$ for a reasonable type of function, say for $\lambda$-concave and for $(1-\kappa{\cdot}f)$-concave functions. Obviously $\Phi^{t+\tau}_{f}=\Phi^{t}_{f}\circ\Phi^{\tau}_{f}.$ This map has the following main properties: 1. 1. $\Phi^{t}_{f}$ is locally Lipschitz (in the domain of definition). Moreover, if $f$ is $\lambda$-concave then it is $e^{\lambda{\cdot}t}$-Lipschitz. This follows from lemma 2.1.4(i). 2. 2. Gradient flow is stable under Gromov–Hausdorff convergence, namely: If $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $f_{n}\colon A_{n}\to\mathbb{R}$ is a sequence of $\lambda$-concave functions which converges to $f\colon A\to\mathbb{R}$ then $\Phi_{f_{n}}^{t}\colon A_{n}\to A_{n}$ converges pointwise to $\Phi_{f}^{t}\colon A\to A$. This follows from lemma 2.1.5. 3. 3. For any $x\in A$ and all sufficiently small $t\geqslant 0$, there is $y\in A$ so that $\Phi_{f}^{t}(y)=x$. For spaces without boundary this follows from [Grove–Petersen 1993, lemma 1]. For spaces with boundary one should consider its doubling. Gradient flow can be used to deform a mapping with target in $A$. For example, if $X$ is a metric space, then given a Lipschitz map $F\colon X\to A$ and a positive Lipschitz function $\tau\colon X\to\mathbb{R}_{+}$ one can consider the map $F^{\prime}$ called _gradient deformation_ of $F$ which is defined by $F^{\prime}(x)=\Phi_{f}^{\tau(x)}\circ F(x),\ \ \ F^{\prime}\colon X\to A.$ From lemma 2.1.4 it is easy to see that the _dilation_ 101010i.e. its optimal Lipschitz constant. of $F^{\prime}$ can be estimated in terms of $\lambda$, $\sup_{x}\tau(x)$, dilation of $F$ and the Lipschitz constants of $f$ and $\tau$. Here is an optimal estimate for the length element of a curve which follows from lemma 2.1.4: ###### 2.2.1. Lemma. Let $A\in\text{{\nnn Alex}}$. Let $\gamma_{0}(s)$ be a curve in $A$ parametrized by arc-length, $f\colon A\to\mathbb{R}$ be a $\lambda$-concave function, and $\tau(s)$ be a non-negative Lipschitz function. Consider the curve $\gamma_{1}(s)=\Phi^{\tau(s)}_{f}\circ\gamma_{0}(s).$ If $\sigma=\sigma(s)$ is its arc-length parameter then $d\sigma^{2}\leqslant e^{2\lambda\tau}\left[ds^{2}+2\cdot d(f\circ\gamma_{0})d\tau+|\nabla_{\gamma_{0}(s)}f|^{2}\cdot d\tau^{2}\right]$ ### 2.3 Applications Gradient flow gives a simple proof to the following result which generalizes a key lemma in [Liberman]. This generalization was first obtained in [Perelman–Petrunin 1993, 5.3], a simplified proof was given in [Petrunin 1997, 1.1]. See sections 4 and 5 for definition of extremal subset and quasigeodesic. ###### 2.3.1. Generalized Lieberman’s Lemma. Any unit-speed geodesic for the induced intrinsic metric on an extremal subset is a quasigeodesic in the ambient Alexandrov’s space. Proof. Let $\gamma\colon[a,b]\to E$ be a unit-speed minimizing geodesic in an extremal subset $E\subset A$ and $f$ be a $\lambda$-concave function defined in a neighborhood of $\gamma$. Assume $f\circ\gamma$ is not $\lambda$-concave, then there is a non-negative Lipschitz function $\tau$ with support in $(a,b)$ such that $\int\limits_{a}^{b}\left[(f\circ\gamma)^{\prime}\tau^{\prime}+\lambda\tau\right]\cdot ds<0$ Then as follows from lemma 2.2.1, for small $t\geqslant 0$ $\gamma_{t}(s)=\Phi^{t\cdot\tau(s)}_{f}\circ\gamma_{0}(s)$ gives a length-contracting homotopy of curves relative to ends and according to definition 4.1.1, it stays in $E$ — this is a contradiction.∎ The fact that gradient flow is stable with respect to collapsing has the following useful consequence: Let $M_{n}$ be a collapsing sequence of Riemannian manifolds with curvature $\geqslant\kappa$ and $M_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$. For a regular point $p$ let us denote by $F_{n}(p)$ the _regular fiber_ 111111see footnote 32 on page 32 over $p$, it is well defined for all large $n$. Let $f\colon A\to\mathbb{R}$ be a $\lambda$-concave function. If $\alpha(t)$ is an $f$-gradient curve in $A$ which passes only through regular points, then for any $t_{0}<t_{1}$ there is a homotopy equivalence $F_{n}(\alpha(t_{0}))\to F_{n}(\alpha(t_{1}))$ with dilation $\approx e^{\lambda{\cdot}(t_{1}-t_{0})}$. This observation was used in [KPT] to prove some properties of almost nonnegatively curved manifolds. In particular, it gave simplified proofs of the results in [Fukaya–Yamaguchi]): ###### 2.3.2. Nilpotency theorem. Let $M$ be a closed almost nonnegatively curved manifold. Then a finite cover of $M$ is a _nilpotent space_ , i.e. its fundamental group is nilpotent and it acts nilpotently on higher homotopy groups. ###### 2.3.3. Theorem. Let $M$ be an almost nonnegatively curved $m$-manifold. Then $\pi_{1}(M)$ is $\operatorname{Const}(m)$-nilpotent, i.e., $\pi_{1}(M)$ contains a nilpotent subgroup of index at most $\operatorname{Const}(m)$. Gradient flow also gives an alternative proof of the homotopy lifting theorem 4.2.3. To explain the idea let us start with definition: Given a topological space $X$, a map $F\colon X\to A$, a finite sequence of $\lambda$-concave functions $\\{f_{i}\\}$ on $A$ and continuous functions $\tau_{i}\colon X\to\mathbb{R}_{+}$ one can consider a composition of gradient deformations (see 2.2) $F^{\prime}(x)=\Phi_{f_{N}}^{\tau_{N}(x)}\circ\cdots\circ\Phi_{f_{2}}^{\tau_{2}(x)}\circ\Phi_{f_{1}}^{\tau_{1}(x)}\circ F(x),\ \ \ F^{\prime}\colon X\to A,$ which we also call gradient deformation of $F$. Let us define gradient homotopy to be a gradient deformation of trivial homotopy $F\colon[0,1]\times X\to A,\ \ \ F_{t}(x)=F_{0}(x)$ with the functions $\tau_{i}\colon[0,1]\times X\to\mathbb{R}_{+}\ \ \ \text{such that}\ \ \ \tau_{i}(0,x)\equiv 0.$ If $Y\subset X$, then to define _gradient homotopy relative to_ $Y$ we assume in addition $\tau_{i}(t,y)=0\ \ \ \text{for any }\ \ \ y\in Y,\ \ t\in[0,1].$ Then theorem 4.2.3 follows from lemma 2.1.5 and the following lemma: ###### 2.3.4. Lemma [Petrunin-GH]. Let $A$ be an Alexandrov’s space without proper extremal subsets and $K$ be a finite simplicial complex. Then, given $\varepsilon>0$, for any homotopy $F_{t}\colon K\to A,\ \ t\in[0,1]$ one can construct an $\varepsilon$-close gradient homotopy $G_{t}\colon K\to A$ such that $G_{0}\equiv F_{0}$. ## 3 Gradient exponent One of the technical difficulties in Alexandrov’s geometry comes from nonextendability of geodesics. In particular, the exponential map, $\exp_{p}\colon T_{p}\to A$, if defined the usual way, can be undefined in an arbitrary small neighborhood of origin. Here we construct its analog, the _gradient exponential map_ $\operatorname{gexp}_{p}\colon T_{p}\to A$, which practically solves this problem. It has many important properties of the ordinary exponential map, and is even “better” in certain respects. Let $A$ be an Alexandrov’s space and $p\in A$, consider the function $f=\nobreak\operatorname{dist}_{p}^{2}/2$. Recall that $i_{s}\colon s{\cdot}A\to A$ denotes canonical maps (see page 2). Consider the one parameter family of maps $\Phi^{t}_{f}\circ i_{e^{t}}\colon e^{t}{\cdot}A\to A\ \ \ \text{as}\ \ \ t\to\infty\ \ \ \text{so}\ \ \ (e^{t}{\cdot}A,p)\buildrel\mathrm{GH}\over{\longrightarrow}(T_{p},o_{p})$ where $\Phi^{t}_{f}$ denotes gradient flow (see section 2.2). Let us define the gradient exponential map as the limit $\operatorname{gexp}_{p}\colon T_{p}A\to A,\ \ \ \operatorname{gexp}_{p}=\lim_{t\to\infty}\Phi^{t}_{f}\circ i_{e^{t}}.$ Existence and uniqueness of gradient exponential. If $A$ is an Alexandrov’s space with curvature $\geqslant 0$, then $f$ is $1$-concave, and from lemma 2.1.4, $\Phi^{t}_{f}$ is an $e^{t}$-Lipschitz and therefore compositions $\Phi^{t}_{f}\circ i_{e^{t}}\colon e^{t}{\cdot}A\to A$ are _short_ 121212i.e. maps with Lipschitz constant 1.. Hence a partial limit $\operatorname{gexp}_{p}\colon T_{p}A\to A$ exists, and it is a short map.131313For general lower curvature bound, $f$ is only $(1+O(r^{2}))$-concave in the ball $B_{r}(p)$. Therefore $\Phi^{1}_{f}\colon B_{r/e}(p)\to B_{r}(p)$ is $e(1+O(r^{2}))$-Lipschitz. By taking compositions of these maps for different $r$ we get that $\Phi^{N}_{f}\colon B_{r/e^{N}}(p)\to B_{r}(p)$ is $e^{N}(1+O(r^{2}))$-Lipschitz. Obviously, the same is true for any $t\geqslant 0$, i.e. $\Phi^{t}_{f}\colon B_{r/e^{t}}(p)\to B_{r}(p)$ is $e^{t}(1+O(r^{2}))$-Lipschitz, or $\Phi^{t}_{f}\circ i_{e^{t}}\colon e^{t}{\cdot}A\to A$ is $(1+O(r^{2}))$-Lipschitz on $B_{r}(p)\subset e^{t}{\cdot}A$. This is sufficient for existence of partial limit $\operatorname{gexp}_{p}\colon T_{p}A\to A$, which turns out to be $(1+O(r^{2}))$-Lipschitz on a central ball of radius $r$ in $T_{p}$. Clearly for any partial limit we have $\Phi^{t}_{f}\circ\operatorname{gexp}_{p}(v)=\operatorname{gexp}_{p}(e^{t}\cdot v)$ $None$ and since $\Phi^{t}$ is $e^{t}$-Lipschitz, it follows that $\operatorname{gexp}_{p}$ is uniquely defined. ###### 3.1.1. Property. If $E\in A$ is an extremal subset, $p\in E$ and $\xi\in\Sigma_{p}E$ then $\operatorname{gexp}_{p}(t\cdot\xi)\in E$ for any $t\geqslant 0$. It follows from above and from definition of extremal subset (4.1.1). Radial curves. From identity $(*)$, it follows that for any $\xi\in\Sigma_{p}$, curve $\alpha_{\xi}\colon t\mapsto\operatorname{gexp}_{p}(t\cdot\xi)$ satisfies the following differention equation $\alpha_{\xi}^{+}(t)=\frac{|p\,\alpha_{\xi}(t)|}{t}{\cdot}\nabla_{\alpha_{\xi}(t)}\operatorname{dist}_{p}\ \ \ \text{for all}\ \ t>0\ \ \ \text{and}\ \ \ \alpha_{\xi}^{+}(0)=\xi$ $None$ We will call such a curve radial curve from $p$ in the direction $\xi$. From above, such radial curve exists and is unique in any direction. Clearly, for any radial curve from $p$, $|p\alpha_{\xi}(t)|\leqslant t$; and if this inequality is exact for some $t_{0}$ then $\alpha_{\xi}\colon[0,t_{0}]\to A$ is a unit-speed minimizing geodesic starting at $p$ in the direction $\xi\in\Sigma_{p}$. In other words, $\operatorname{gexp}_{p}\circ\log_{p}=\operatorname{id}_{A}.$ Next lemma gives a comparison inequality for radial curves. ###### 3.1.2. Lemma. Let $A\in\text{{\nnn Alex}}$, $f\colon A\to\mathbb{R}$ be a $\lambda$-concave function $\lambda\geqslant 0$ then for any $p\in A$ and $\xi\in\Sigma_{p}$ $f\circ\operatorname{gexp}_{p}(t\cdot\xi)\leqslant f(p)+t\cdot d_{p}f(\xi)+t^{2}{\cdot}\tfrac{\lambda}{2}.$ Moreover, the function $\vartheta(t)=\\{f\circ\operatorname{gexp}_{p}(t\cdot\xi)-f(p)-t^{2}\cdot\tfrac{\lambda}{2}\\}/t$ is non-increasing. In particular, applying this lemma for $f=\operatorname{dist}_{q}^{2}/2$ we get ###### 3.1.3. Corollary. If $A\in\text{{\nnn Alex}}(0)$ then for any $p,q,\in A$ and $\xi\in\Sigma_{p}$, $\tilde{\measuredangle}_{0}(t,|\operatorname{gexp}_{p}(t{\cdot}\xi)q|,|pq|)$ is non-increasing in $t$.151515$\tilde{\measuredangle}_{\kappa}(a,b,c)$ denotes angle opposite to $b$ in a triangle with sides $a,b,c$ in $\hbox{\tencyr L}_{\kappa}$. In particular, $\tilde{\measuredangle}_{0}(t,|\operatorname{gexp}_{p}(t{\cdot}\xi)\,q|,|pq|)\leqslant\measuredangle(\xi,\uparrow_{p}^{q}).$ In 3.2 you can find a version of this corollary for arbitrary lower curvature bound. Proof of lemma 3.1.2. Recall that $\nabla_{q}\operatorname{dist}_{p}$ is polar to the set $\Uparrow_{q}^{p}\subset T_{q}$ (see example (ii) on page ii). In particular, from inequality $(**)$ on page 1.3, $d_{q}f(\nabla_{q}\operatorname{dist}_{p})+\inf_{\zeta\in\Uparrow_{q}^{p}}\\{d_{q}f(\zeta)\\}\leqslant 0$ On the other hand, since $f$ is $\lambda$-concave, $d_{q}f(\zeta)\geqslant\frac{f(p)-f(q)-\lambda{\cdot}|pq|^{2}/2}{|pq|}\ \ \text{for any}\ \ \zeta\in\Uparrow_{q}^{p},$ therefore $d_{q}f(\nabla_{q}\operatorname{dist}_{p})\leqslant\frac{f(q)-f(p)+\tfrac{\lambda}{2}{\cdot}|pq|^{2}}{|pq|}.$ Set $\alpha_{\xi}(t)=\operatorname{gexp}(t\cdot\xi)$, $q=\alpha_{\xi}(t_{0})$, then $\alpha^{+}_{\xi}(t_{0})=\tfrac{|pq|}{t}{\cdot}\nabla_{q}\operatorname{dist}_{p}$ as in $(\diamond)$. Therefore, $\displaystyle(f\circ\alpha_{\xi})^{+}(t_{0})$ $\displaystyle=d_{q}f(\alpha^{+}_{\xi}(t_{0}))\leqslant$ $\displaystyle\leqslant\frac{|pq|}{t_{0}}\cdot\left[\frac{f(q)-f(p)+\tfrac{\lambda}{2}{\cdot}|pq|^{2}}{|pq|}\right]=$ $\displaystyle=\frac{f(q)-f(p)+\tfrac{\lambda}{2}{\cdot}|pq|^{2}}{t_{0}}\leqslant$ since $|pq|\leqslant t_{0}$ and $\lambda\geqslant 0$, $\displaystyle\leqslant\frac{f(q)-f(p)+\tfrac{\lambda}{2}{\cdot}t^{2}_{0}}{t_{0}}=$ $\displaystyle=\frac{f(\alpha_{\xi}(t_{0}))-f(p)+\tfrac{\lambda}{2}{\cdot}t^{2}_{0}}{t_{0}}.$ Substituting this inequality in the expression for derivative of $\vartheta$, $\vartheta^{+}(t_{0})=\frac{(f\circ\alpha_{\xi})^{+}(t)}{t_{0}}-\frac{f\circ\operatorname{gexp}_{p}(t_{0}\cdot\xi)-f(p)}{t_{0}^{2}}-\tfrac{\lambda}{2},$ we get $\vartheta^{+}\leqslant 0$, i.e. $\vartheta$ is non-increasing. Clearly, $\vartheta(0)=d_{p}f(\xi)$ and so the first statement follows.∎ ### 3.2 Spherical and hyperbolic gradient exponents The gradient exponent described above is sufficient for most applications. It works perfectly for non-negatively curved Alexandrov’s spaces and where one does not care for the actual lower curvature bound. However, for fine analysis on spaces with curvature $\geqslant\kappa$, there is a better analog of this map, which we denote $\operatorname{gexp}_{p}(\kappa;v)$; $\operatorname{gexp}_{p}(0;v)=\operatorname{gexp}_{p}(v)$. In addition to case $\kappa=0$, it is enough to consider only two cases: $\kappa=\pm 1$, the rest can be obtained by rescalings. We will define two maps: $\operatorname{gexp}_{p}(-1,*)$ and $\operatorname{gexp}_{p}(1,*)$, and list their properties, leaving calculations to the reader. These properties are analogous to the following properties of the ordinary gradient exponent: 1. $\diamond$ if $A\in\text{{\nnn Alex}}({0})$, then $\operatorname{gexp}_{p}\colon T_{p}\to A$ is distance non-increasing. Moreover, for any $q\in A$, the angle $\tilde{\measuredangle}_{0}(t,|\operatorname{gexp}_{p}(t\cdot\xi)\,q|,|pq|)$ is non-increasing in $t$ (see corollary 3.1.3). In particular $\tilde{\measuredangle}_{0}(t,|\operatorname{gexp}_{p}(t\cdot\xi)\,q|,|pq|)\leqslant\measuredangle(\xi,\uparrow_{p}^{q}).$ ###### 3.2.1. Case $\kappa=-1$. The hyperbolic radial curves are defined by the following differential equation $\alpha^{+}_{\xi}(t)=\frac{\operatorname{th}|p\alpha_{\xi}(t)|}{\operatorname{th}t}\cdot\nabla_{\alpha_{\xi}(t)}\operatorname{dist}_{p}\ \ \ \text{and}\ \ \ \alpha^{+}_{\xi}(0)=\xi.$ These radial curves are defined for all $t\in[0,\infty)$. Let us define $\operatorname{gexp}_{p}(-1;t\cdot\xi)=\alpha_{\xi}(t).$ This map is defined on tangent cone $T_{p}$. Let us equip the tangent cone with a hyperbolic metric $\mathfrak{h}(u,v)$ defined by the hyperbolic rule of cosines $\operatorname{ch}(\mathfrak{h}(u,v))=\operatorname{ch}|u|\cdot\operatorname{ch}|v|-\operatorname{sh}|u|\cdot\operatorname{sh}|v|\cdot\cos\alpha,$ where $u,v\in T_{p}$ and $\alpha=\measuredangle uo_{p}v$. $(T_{p},\mathfrak{h})\in\text{{\nnn Alex}}(-1)$, this is a so called _elliptic cone_ over $\Sigma_{p}$; see [BGP, 4.3.2], [Alexander–Bishop 2004]. Here are the main properties of $\operatorname{gexp}(-1;*)$: 1. $\diamond$ if $A\in\text{{\nnn Alex}}(-1)$, then $\operatorname{gexp}(-1;*)\colon(T_{p},\mathfrak{h})\to A$ is distance non- increasing. Moreover, the function $t\mapsto\tilde{\measuredangle}_{-1}(t,|\operatorname{gexp}(-1;t\cdot\xi)\,q|,|pq|)$ is non-increasing in $t$. In particular for any $t>0$, $\tilde{\measuredangle}_{-1}(t,|\operatorname{gexp}(-1;t\cdot\xi)\,q|,|pq|)\leqslant\measuredangle(\xi,\uparrow_{p}^{q}).$ ###### 3.2.2. Case $\kappa=1$. For unit tanget vector $\xi\in\Sigma_{p}$, the spherical radial curve is defined to satisfy the following identity: $\alpha^{+}_{\xi}(t)=\frac{\operatorname{tg}|p\alpha_{\xi}(t)|}{\operatorname{tg}t}\cdot\nabla_{\alpha_{\xi}(t)}\operatorname{dist}_{p}\ \ \ \text{and}\ \ \ \alpha^{+}_{\xi}(0)=\xi.$ These radial curves are defined for all $t\in[0,\tfrac{\pi}{2}]$. Let us define the spherical gradient exponential map by $\operatorname{gexp}_{p}(1;t\cdot\xi)=\alpha_{\xi}(t).$ This map is well defined on $\bar{B}_{\pi/2}(o_{p})\subset T_{p}$. Let us equip $\bar{B}_{\pi/2}(o_{p})$ with a spherical distance $\mathfrak{s}(u,v)$ defined by the spherical rule of cosines $\cos(\mathfrak{s}(u,v))=\cos|u||\cdot\cos|v|+\sin|u||\cdot\sin|v||\cdot\cos\alpha,$ where $u,v\in B_{\pi}(o_{p})\subset T_{p}$ and $\alpha=\measuredangle uo_{p}v$. $(\bar{B}_{\pi}(o_{p}),\mathfrak{s})\in\text{{\nnn Alex}}(1)$, this is isometric to _spherical suspension_ $\Sigma(\Sigma_{p})$, see [BGP, 4.3.1], [Alexander–Bishop 2004]. Here are the main properties of $\operatorname{gexp}(1;*)$: 1. $\diamond$ If $A\in\text{{\nnn Alex}}(1)$ then $\operatorname{gexp}_{p}(1,*)\colon(\bar{B}_{\pi/2}(o_{p}),\mathfrak{s})\to A$ is distance non-increasing. Moreover, if $|pq|\leqslant\tfrac{\pi}{2}$, then function $t\mapsto\tilde{\measuredangle}_{1}(t,|\operatorname{gexp}_{p}(1;t\cdot\xi)\,q|,|pq|)$ is non-increasing in $t$. In particular, for any $t>0$ $\tilde{\measuredangle}_{1}(t,|\operatorname{gexp}_{p}(1;t\cdot\xi)\,q|,|pq|)\leqslant\measuredangle(\xi,\uparrow_{p}^{q}).$ ### 3.3 Applications One of the main applications of gradient exponent and radial curves is the proof of existence of quasigeodesics; see property 4 page 4 and appendix A for the proof. An infinite-dimensional generalization of gradient exponent was introduced by Perelman to make the last step in the proof of equality of Hausdorff and topological dimension for Alexandrov’s spaces, see [Perelman–Petrunin QG, A.4]. According to [Plaut 1996] (or [Plaut 2002, 151]), if $\operatorname{dim}_{H}A\geqslant m$, then there is a point $p\in A$, the tangent cone of which contains a subcone $W\subset T_{p}$ isometric to Euclidean $m$-space. Then infinite-dimensional analogs of properties in section 3.2 ensure that image $\operatorname{gexp}_{p}(W)$ has topological dimension $\geqslant m$ and therefore $\operatorname{dim}A\geqslant m$. The following statement has been proven in [Perelman 1991], then its formulation was made more exact in [Alexander–Bishop 2003]. Here we give a simplified proof with the use of a gradient exponent. ###### 3.3.1. Theorem. Let $A\in\text{{\nnn Alex}}(\kappa)$ and $\partial A\not=\varnothing$; then the function $f=\nobreak\sigma_{\kappa}\circ\operatorname{dist}_{\partial A}$161616$\sigma_{\kappa}\colon\mathbb{R}\to\mathbb{R}$ is defined by $\sigma_{\kappa}(x)=\sum_{n=0}^{\infty}\frac{(-\kappa)^{n}}{(2n+1)!}{\cdot}x^{2n+1}=\left[\begin{matrix}{\frac{1}{\sqrt{\kappa}}{\cdot}\sin({x{\cdot}\sqrt{\kappa}})}&{\hbox{if}\ \kappa>0}\\\ {x}&{\hbox{if}\ \kappa=0}\\\ {\frac{1}{\sqrt{-\kappa}}{\cdot}\operatorname{sh}({x{\cdot}\sqrt{-\kappa}})}&{\hbox{if}\ \kappa<0}\\\ \end{matrix}\right..$ is $(-\kappa{\cdot}f)$-concave in $\Omega=A\backslash\partial A$.171717Note that by definition 1.1.2, $f$ is not semiconcave in $A$. In particular, 1. (i) if $\kappa=0$, $\operatorname{dist}_{\partial A}$ is concave in $\Omega$; 2. (ii) if $\kappa>0$, the level sets $L_{x}=\operatorname{dist}^{-1}_{\partial A}(x)\subset A$, $x>0$ are strictly concave hypersurfaces. $\tilde{\gamma}(0)$$\tilde{\gamma}(\tau)$$\alpha$$\tilde{\beta}$$\tilde{p}$$\tilde{q}$$\partial\hbox{\tencyr L}^{+}_{\kappa}$ Proof. We have to show that for any unit-speed geodesic $\gamma$, the function $f\circ\gamma$ is $(-\kappa{\cdot}f)$-concave; i.e. for any $t_{0}$, $(f\circ\gamma)^{\prime\prime}(t_{0})\leqslant-\kappa{\cdot}f\circ\gamma(t_{0})$ _in a barrier sense_ 181818For a continuous function $f$, $f^{\prime\prime}(t_{0})\leqslant c$ _in a barrier sense_ means that there is a smooth function $\bar{f}$ such that $f\leqslant\bar{f}$, $f(t_{0})=\bar{f}(t_{0})$ and $\bar{f}^{\prime\prime}(t_{0})\leqslant c$. Without loss of generality we can assume $t_{0}=0$. Direct calculations show that the statement is true for $A=\hbox{\tencyr L}_{\kappa}^{+}$, the halfspace of the model space $\hbox{\tencyr L}_{\kappa}$. Let $p\in\partial A$ be a closest point to $\gamma(0)$ and $\alpha=\measuredangle(\gamma^{+}(0),\uparrow_{\gamma(0)}^{p})$. Consider the following picture in the model halfspace $\hbox{\tencyr L}_{\kappa}^{+}$: Take a point $\tilde{p}\in\partial\hbox{\tencyr L}_{\kappa}^{+}$ and consider the geodesic $\tilde{\gamma}$ in $\hbox{\tencyr L}_{\kappa}^{+}$ such that $|\gamma(0)p|=|\tilde{\gamma}(0)\tilde{p}|=|\tilde{\gamma}(0)\,\partial\hbox{\tencyr L}^{+}_{\kappa}|,$ so $\tilde{p}$ is the closest point to $\tilde{\gamma}(0)$ on the boundary191919in case $\kappa>0$ it is possible only if $|\gamma(0)p|\leqslant\frac{\pi}{2{\cdot}\sqrt{\kappa}}$, but this is always the case since otherwise any small variation of $p$ in $\partial A$ decreases distance $|\gamma(0)p|$. and $\measuredangle(\tilde{\gamma}^{+}(0),\uparrow_{\tilde{\gamma}(0)}^{\tilde{p}})=\alpha.$ Then it is enough to show that $\operatorname{dist}_{\partial A}\gamma(\tau)\leqslant\operatorname{dist}_{\partial\hbox{\sevencyr L}_{\kappa}^{+}}\tilde{\gamma}(\tau)+o(\tau^{2}).$ Set $\beta(\tau)=\measuredangle\gamma(0)\,p\,\gamma(\tau)$ and $\tilde{\beta}(\tau)=\measuredangle\tilde{\gamma}(0)\,\tilde{p}\,\tilde{\gamma}(\tau).$ From the comparison inequalities $|p\gamma(\tau)|\leqslant|\tilde{p}\tilde{\gamma}(\tau)|$ and $\vartheta(\tau)=\max\left\\{0,\,\tilde{\beta}(\tau)-\beta(\tau)\right\\}=o(\tau).$ $None$ Note that the tangent cone at $p$ splits: $T_{p}A=\mathbb{R}_{+}\times T_{p}\partial A$.202020This follows from the fact that $p$ lies on a shortest path between two preimages of $\gamma(0)$ in the doubling $\tilde{A}$ of $A$, see [BGP, 7.15]. Therefore we can represent $v=\log_{p}\gamma(\tau)\in T_{p}A$ as $v=(s,w)\in\mathbb{R}_{+}\times T_{p}\partial A$. Let $\tilde{q}=\tilde{q}(\tau)\in\partial\hbox{\tencyr L}_{\kappa}$ be the closest point to $\tilde{\gamma}(\tau)$, so $\displaystyle\measuredangle(\uparrow_{p}^{\gamma(\tau)},w)$ $\displaystyle=\tfrac{\pi}{2}-\beta(\tau)\leqslant$ $\displaystyle\leqslant\tfrac{\pi}{2}-\tilde{\beta}(\tau)-\vartheta(\tau)=$ $\displaystyle=\measuredangle\tilde{\gamma}(\tau)\tilde{p}\tilde{q}+o(\tau).$ Set $q=\operatorname{gexp}_{p}\left(\kappa;|\tilde{p}\tilde{q}|\frac{w}{|w|}\right)$.212121 Alternatively, one can set $q=\gamma(|\tilde{p}\tilde{q}|)$, where $\gamma$ is a quasigeodesic in $\partial A$ starting at $p$ in direction $\frac{w}{|w|}\in\Sigma_{p}$ (it exists by second part of property 4 on page 4). Since gradient curves preserve extremal subsets $q\in\partial A$ (see property 3.1.1 on page 3.1.1). Clearly $|\tilde{p}\tilde{q}|=O(\tau)$, therefore applying the comparison from section 3.2 (or Corollary 3.1.3 if $\kappa=0$) together with $(*)$, we get $\displaystyle\operatorname{dist}_{\partial A}\gamma(\tau)$ $\displaystyle\leqslant|q\gamma(\tau)|\leqslant$ $\displaystyle\leqslant|\tilde{q}\tilde{\gamma}(\tau)|+O\left(|\tilde{p}\tilde{q}|\cdot\vartheta(\tau)\right)=$ $\displaystyle=\operatorname{dist}_{\partial\hbox{\sevencyr L}_{\kappa}^{+}}\tilde{\gamma}(\tau)+o(\tau^{2}).$ ∎ The following corollary implies that the Lipschitz condition in the definition of convex function 1.1.2– 1.1.1 can be relaxed to usual continuity. ###### 3.3.2. Corollary. Let $A\in\text{{\nnn Alex}}$, $\partial A=\varnothing$, $\lambda\in\mathbb{R}$ and $\Omega\subset A$ be open. Assume $f\colon\Omega\to\mathbb{R}$ is a continuous function such that for any unit-speed geodesic $\gamma$ in $\Omega$ we have that the function $t\mapsto f\circ\gamma-\tfrac{\lambda}{2}{\cdot}t^{2}$ is concave; then $f$ is locally Lipschitz. In particular, $f$ is $\lambda$-concave in the sense of definition 1.1.2. Proof. Assume $f$ is not Lipschitz at $p\in\Omega$. Without loss of generality we can assume that $\Omega$ is convex222222Otherwise, pass to a small convex neighborhood of $p$ which exists by by corollary 7.1.2. and $\lambda<0$232323Otherwise, add a very concave (Lipschitz) function which exists by theorem 7.1.1. Then, since $f$ is continuous, sub-graph $X_{f}=\\{(x,y)\in\bar{\Omega}\times\mathbb{R}|y\leqslant f(x)\\}$ is closed convex subset of $A\times\mathbb{R}$, therefore it forms an Alexandrov’s space. Since $f$ is not Lipschitz at $p$, there is a sequence of pairs of points $(p_{n},q_{n})$ in $A$, such that $p_{n},q_{n}\to p\ \ \ \text{and}\ \ \ \frac{f(p_{n})-f(q_{n})}{|p_{n}q_{n}|}\to+\infty.$ Consider a sequence of radial curves $\alpha_{n}$ in $X_{f}$ which extend shortest paths from $(p_{n},f(p_{n}))$ to $(q_{n},f(q_{n}))$. Since the boundary $\partial X_{f}\subset X_{f}$ is an extremal subset, we have $\alpha_{n}(t)\in\partial X_{f}$ for all $\displaystyle t$ $\displaystyle\geqslant\ell_{n}=$ $\displaystyle=|(p_{n},f(p_{n}))(q_{n},f(q_{n}))|=$ $\displaystyle=\sqrt{|p_{n}q_{n}|^{2}+(f(p_{n})-f(q_{n}))^{2}}.$ Clearly, the function $h\colon X_{f}\to\mathbb{R}$, $h\colon(x,y)\mapsto y$ is concave. Therefore, from 3.1.2, there is a sequence $t_{n}>\ell_{n}$, so $\alpha_{n}(t_{n})\to(p,f(p)-1)$. Therefore, $(p,f(p)-1)\in\partial X_{f}$ thus $p\in\partial A$, i.e. $\partial A\not=\varnothing$, a contradiction. ∎ ###### 3.3.3. Corollary. Let $A\in\text{{\nnn Alex}}^{m}(\kappa)$, $m\geqslant 2$ and $\gamma$ be a unit-speed curve in $A$ which has a convex $\kappa$-developing with respect to any point. Then $\gamma$ is a quasigeodesic, i.e. for any $\lambda$-concave function $f$, function $f\circ\gamma$ is $\lambda$-concave. Proof. Let us first note that in the proof of theorem 3.3.1 we used only two properties of curve $\gamma$: $|\gamma^{\pm}|=1$ and the convexity of the $\kappa$-development of $\gamma$ with respect to $p$. Assume $\kappa=\lambda=0$ then sub-graph of $f$ $X_{f}=\\{(x,y)\in A\times\mathbb{R}\ |\ y\leqslant f(x)\\}$ is a closed convex subset, therefore it forms an Alexandrov’s space. Applying the above remark, we get that if $\gamma$ is a unit-speed curve in $X_{f}\backslash\partial X_{f}$ with convex $0$-developing with respect to any point then $\operatorname{dist}_{\partial X_{f}}\circ\gamma$ is concave. Hence, for any $\varepsilon>0$, the function $f_{\varepsilon}$, which has the level set $\operatorname{dist}_{\partial X_{f}}^{-1}(\varepsilon)\subset\mathbb{R}\times A$ like the graph, has a concave restriction to any curve $\gamma$ in $A$ with a convex $0$-developing with respect to any point in $A\backslash\gamma$. Clearly, $f_{\varepsilon}\to f$ as $\varepsilon\to 0$, hence $f\circ\gamma$ is concave. For $\lambda$-concave function the set $X_{f}$ is no longer convex, but it becomes convex if one changes metric on $A\times\mathbb{R}$ to _parabolic cone_ 242424 i.e. warped-product $\mathbb{R}\times_{\exp(\operatorname{Const}{\cdot}t)}A$, which is an Alexandrov’s space, see [BGP, 4.3.3], [Alexander–Bishop 2004] and then one can repeat the same arguments.∎ Remark One can also get this corollary from the following lemma: ###### 3.3.4. Lemma. Let $A\in\text{{\nnn Alex}}^{m}(\kappa)$, $\Omega$ be an open subset of $A$ and $f\colon\Omega\to\mathbb{R}$ be a $\lambda$-concave $L$-Lipschitz function. Then function $f_{\varepsilon}(y)=\min_{x\in\Omega}\\{f(x)+\tfrac{1}{\varepsilon}{\cdot}|xy|^{2}\\}$ is $(\lambda+\delta)$-concave in the domain of definition252525i.e. at the set where the minimum is defined. for some262626this function $\delta(L,\lambda,\kappa,\varepsilon)$ is achieved for the model space $\Lambda_{\kappa}$ $\delta=\delta(L,\lambda,\kappa,\varepsilon)$, $\delta\to 0$ as $\varepsilon\to 0$. Moreover, if $m\geqslant 2$ and $\gamma$ is a unit-speed curve in $A$ with $\kappa$-convex developing with respect to any point then $f_{\varepsilon}\circ\gamma$ is also $(\lambda+\delta)$-concave. Proof. It is analogous to theorem 3.3.1. We only indicate it in the simplest case, $\kappa=\lambda=0$. In this case $\delta$ can be taken to be $0$. Let $\gamma$ be a unit-speed geodesic (or it satisfies the last condition in the lemma). It is enough to show that for any $t_{0}$ $(f_{\varepsilon}\circ\gamma)^{\prime\prime}(t_{0})\leqslant 0$ in a barrier sense. Let $y=\gamma(t_{0})$ and $x\in\Omega$ be a point for which $f_{\varepsilon}(y)=f(x)+\tfrac{1}{\varepsilon}{\cdot}|xy|^{2}$. The tangent cone $T_{x}$ splits in direction $\uparrow_{y}^{x}$, i.e. there is an isometry $T_{x}\to\mathbb{R}\times\operatorname{Cone}$ such that $\uparrow_{x}^{y}\mapsto(1,o)$, where $o\in\operatorname{Cone}$ is its origin. Let $\log_{x}\gamma(t)=(a(t),v(t))\in\mathbb{R}\times\operatorname{Cone}=T_{x}.$ Consider vector $w(t)=(a(t)-|xy|,v(t))\in\mathbb{R}\times\operatorname{Cone}=T_{x}.$ Clearly $|w(t)|\geqslant|x\gamma(t)|$. Set $x(t)=\operatorname{gexp}_{y}(w(t))$ then lemma 3.1.2 gives an estimate for $f\circ x(t))$ while corollary 3.1.3 gives an estimate for $|\gamma(t)x(t)|^{2}$. Hence the result. ∎ Here is yet another illustration for the use of gradient exponents. At first sight it seems very simple, but the proof is not quite obvious. In fact, I did not find any proof of this without applying the gradient exponent. ###### 3.3.5. Lytchak’s problem. Let $A\in\text{{\nnn Alex}}^{m}(1)$. Show that $\operatorname{vol}_{m-1}\partial A\leqslant\operatorname{vol}_{m-1}S^{m-1}$ where $\partial A$ denotes the boundary of $A$ and $S^{m-1}$ the unit $(m-1)$-sphere. The problem would have followed from conjecture 9.1.1 (that boundary of an Alexandrov’s space is an Alexandrov’s space), but before this conjecture has been proven, any partial result is of some interest. Among other corollaries of conjecture 9.1.1, it is expected that if $A\in\text{{\nnn Alex}}(1)$ then $\partial A$, equipped with induced intrinsic metric, admits a noncontracting map to $S^{m-1}$. In particular, its intrinsic diameter is at most $\pi$, and perimeter of any triangle in $\partial A$ is at most $2\pi$. This does not follow from the proof below, since in general $\operatorname{gexp}_{z}(1;\partial B_{\pi/2}(o_{z}))\not\subset\partial A$, i.e. $\operatorname{gexp}_{z}(1;\partial B_{\pi/2}(o_{z}))$ might have some creases left inside of $A$, which might be used as a shortcut for curves with ends in $\partial A$. Let us first prepare a proposition: ###### 3.3.6. Proposition. The inverse of the gradient exponential map $\operatorname{gexp}^{-1}_{p}(\kappa;*)$ is uniquely defined inside any minimizing geodesic starting at $p$. Proof. Let $\gamma\colon[0,t_{0}]\to A$ be a unit-speed minimizing geodesic, $\gamma(0)=p$, $\gamma(t_{0})=q$. From the angle comparison we get that $|\nabla_{x}\operatorname{dist}_{p}|\geqslant-\cos\tilde{\measuredangle}_{\kappa}pxq$. Therefore, for any $\zeta$ we have $|p\alpha_{\zeta}(t)|^{+}_{t}\geqslant-|\alpha^{+}_{\zeta}(t)|{\cdot}\cos\tilde{\measuredangle}_{\kappa}p\,\alpha_{\zeta}(t)\,q\ \ \text{and}\ \ |\alpha_{\zeta}(t)q|^{+}_{t}\geqslant-|\alpha^{+}_{\zeta}(t)|.$ Therefore, $\tilde{\measuredangle}_{\kappa}p\,q\,\alpha_{\zeta}(t)$ is nondecreasing in $t$, hence the result. ∎ Proof of 3.3.5. Let $z\in A$ be the point at maximal distance from $\partial A$, in particular it realizes maximum of $f=\sigma_{1}\circ\operatorname{dist}_{\partial A}=\sin\circ\operatorname{dist}_{\partial A}$. From theorem 3.3.1, $f$ is $(-f)$-concave and $f(z)\leqslant 1$. Note that $A\subset\bar{B}_{\pi/2}(z)$, otherwise if $y\in A$ with $|yz|>\tfrac{\pi}{2}$, then since $f$ is $(-f)$-concave and $f(y)\geqslant 0$, we have $df(\uparrow_{z}^{y})>0$; i.e., $z$ is not a maximum of $f$. From this it follows that gradient exponent $\operatorname{gexp}_{z}(1;*)\colon(\bar{B}_{\pi/2}(o_{z}),\mathfrak{s})\to A$ is a short onto map. Moreover, $\partial A\subset\operatorname{gexp}_{z}(\partial B_{\pi/2}(o_{z})).$ Indeed, $\operatorname{gexp}$ gives a homotopy equivalence $\partial B_{\pi/2}(o_{z})\to A\backslash\\{z\\}$. Clearly, $\Sigma_{z}=\nobreak\partial(B_{\pi/2}(o_{z}),\mathfrak{s})$ has no boundary, therefore $H_{m-1}(\partial A,\mathbb{Z}_{2})\not=0$, see [Grove–Petersen 1993, lemma 1]. Hence for any point $x\in\partial A$, any minimizing geodesic $zx$ must have a point of the image $\operatorname{gexp}(1;\partial B_{\pi/2}(o))$ but, as it is shown in proposition 3.3.6, it can only be its end $x$. Now since $\operatorname{gexp}_{z}(1;*)\colon(\bar{B}_{\pi/2}(o_{z}),\mathfrak{s})\to A$ is short and $(\partial B_{\pi/2}(o),\mathfrak{s})$ is isometric to $\Sigma_{z}A$ we get $\operatorname{vol}\partial A\leqslant\operatorname{vol}\Sigma_{z}A$ and clearly, $\operatorname{vol}\Sigma_{z}A\leqslant\operatorname{vol}S^{m-1}$.∎ ## 4 Extremal subsets Imagine that you want to move a heavy box inside an empty room by pushing it around. If the box is located in the middle of the room, you can push it in any direction. But once it is pushed against a wall you can not push it back to the center; and once it is pushed into a corner you cannot push it anywhere anymore. The same is true if one tries to move a point in an Alexandrov’s space by pushing it along a gradient flow, but the role of walls and corners is played by extremal subsets. Extremal subsets first appeared in the study of their special case — the boundary of an Alexandrov’s space; introduced in [Perelman–Petrunin 1993], and were studied further in [Petrunin 1997], [Perelman 1997]. An Alexandrov’s space without extremal subsets resembles a very non-smooth Riemannian manifold. The presence of extremal subsets makes it behave as something new and maybe intersting; it gives an interesting additional combinatoric structure which reflects geometry and topology of the space itself, as well as of nearby spaces. ### 4.1 Definition and properties. It is best to define extremal subsets as “ideals” of the gradient flow, i.e. ###### 4.1.1. Definition. Let $A\in\text{{\nnn Alex}}$. $E\subset A$ is an _extremal subset_ , if for any semiconcave function $f$ on $A$, $t\geqslant 0$ and $x\in E$, we have $\Phi_{f}^{t}(x)\in E$. Recall that $\Phi^{t}_{f}$ denotes the $f$-gradient flow for time $t$, see 2.2. Here is a quick corollary of this definition: 1. 1. Extremal subsets are closed. Moreover: 1. (i) For any point $p\in A$, there is an $\varepsilon>0$, such that if an extremal subset intersects $\varepsilon$-neighborhood of $p$ then it contains $p$. 2. (ii) On each extremal subset the intrinsic metric is locally finite. These properties follow from the fact that the gradient flow for a $\lambda$-concave function with $d_{p}f|_{\Sigma_{p}}<0$ pushes a small ball $B_{\varepsilon}(p)$ to $p$ in time proportionate to $\varepsilon$. Examples. 1. (i) An Alexandrov’s space itself, as well as the empty set, forms an extremal subsets. 2. (ii) A point $p\in A$ forms a one-point extremal subset if its space of directions $\Sigma_{p}$ has a diameter $\leqslant\tfrac{\pi}{2}$ 3. (iii) If one takes a subset of points of an Alexandrov’s space with tangent cones homeomorphic272727Equivalently, with homeomorphic small spherical neigborhoods. The equivalence follows from Perelman’s stability theorem. to each other then its closure282828As well as the closure of its connected component. forms an extremal subset. In particular, if in this construction we take points with tangent cone homeomorphic to $\mathbb{R}_{+}\times\mathbb{R}^{m-1}$ then we get the boundary of an Alexandrov’s space. This follows from theorem 4.1.2 and the Morse lemma (property 7 page 7). 4. (iv) Let $A/G$ be a factor of an Alexandrov’s space by an isometry group, and $S_{H}\subset A$ be the set of points with stabilizer conjugate to a subgroup $H\subset G$ (or its connected component). Then the closure of the projection of $S_{H}$ in $A/G$ forms an extremal subset. For example: A cube can be presented as a quotient of a flat torus by a discrete isometry group, and each face of the cube forms an extremal subset. The following theorem gives an equivalence of our definition of extremal subset and the definition given in [Perelman–Petrunin 1993]: ###### 4.1.2. Theorem. A closed subset $E$ in an Alexandrov’s space $A$ is extremal if and only if for any $q\in A\backslash E$, the following condition is fulfilled: If $\operatorname{dist}_{q}$ has a local minimum on $E$ at a point $p$, then $p$ is a critical point of $\operatorname{dist}_{q}$ on $A$, i.e., $\nabla_{p}\operatorname{dist}_{q}=o_{p}$. Proof. For the “only if” part, note that if $p\in E$ is not a critical point of $\operatorname{dist}_{q}$, then one can find a point $x$ close to $p$ so that $\uparrow_{p}^{x}$ is uniquely defined and close to the direction of $\nabla_{p}\operatorname{dist}_{q}$, so $d_{p}\operatorname{dist}_{q}(\uparrow_{p}^{x})>0$. Since $\nabla_{p}\operatorname{dist}_{x}$ is polar to $\uparrow_{p}^{x}$ (see page 1.3) we get $(d_{p}\operatorname{dist}_{q})(\nabla_{p}\operatorname{dist}_{x})<0,$ see inequality 1.3.8 on page 1.3.8. Hence, the gradient flow $\Phi_{\operatorname{dist}_{x}}^{t}$ pushes the point $p$ closer to $q$, which contradicts the fact that $p$ is a minimum point $\operatorname{dist}_{q}$ on $E$. To prove the “if” part, it is enough to show that if $F\subset A$ satisfies the condition of the theorem, then for any $p\in F$, and any semiconcave function $f$, either $\nabla_{p}f=o_{p}$ or $\tfrac{\nabla_{p}f}{|\nabla_{p}f|}\in\Sigma_{p}F$. If so, an $f$-gradient curve can be obtained as a limit of broken lines with vertexes on $F$, and from uniqueness, any gradient curve which starts at $F$ lives in $F$. Let us use induction on $\operatorname{dim}A$. Note that if $F\subset A$ satisfies the condition, then the same is true for $\Sigma_{p}F\subset\Sigma_{p}$, for any $p\in F$. Then using the inductive hypothesis we get that $\Sigma_{p}F\subset\Sigma_{p}$ is an extremal subset. If $p$ is isolated, then clearly $\operatorname{diam}\Sigma_{p}\leqslant\tfrac{\pi}{2}$ and therefore $\nabla_{p}f=o$, so we can assume $\Sigma_{p}F\not=\varnothing$. Note that $d_{p}f$ is $(-d_{p}f)$-concave on $\Sigma_{p}$ (see 1.2, page 1.2). Take $\xi=\tfrac{\nabla_{p}f}{|\nabla_{p}f|}$, so $\xi\in\Sigma_{p}$ is the maximal point of $d_{p}f$. Let $\eta\in\Sigma_{p}F$ be a direction closest to $\xi$, then $\measuredangle(\xi,\eta)\leqslant\tfrac{\pi}{2}$; otherwise $F$ would not satisfy the condition in the theorem for a point $q$ with $\uparrow_{p}^{q}\,\approx\xi$. Hence, since $\Sigma_{p}F\subset\Sigma_{p}$ is an extremal subset, $\nabla_{\eta}(d_{p}f)\in\Sigma_{\eta}\Sigma_{p}F$ and therefore $(d_{\eta}d_{p}f)(\uparrow_{\eta}^{\xi})\leqslant\langle\nabla_{\eta}d_{p}f,\,\uparrow_{\eta}^{\xi}\rangle\leqslant 0.$ Hence, $d_{p}f(\eta)\geqslant d_{p}f(\xi)$, and therefore $\xi=\eta$, i.e. $\tfrac{\nabla_{p}f}{|\nabla_{p}f|}\in\Sigma_{p}F$. ∎ From this theorem it follows that in the definition of extremal subset (4.1.1), one has to check only squares of distance functions. Namely: Let $A\in\text{{\nnn Alex}}$, then $E\subset A$ is an extremal subset, if for any point $p\in A$, and any $x\in E$, we have $\Phi_{\operatorname{dist}_{p}^{2}}^{t}(x)\in E$ for any $t\geqslant 0$. In particular, applying lemma 2.1.5 we get ###### 4.1.3. Lemma. The limit of extremal subsets is an extremal subset. Namely, if $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$ and $E_{n}\subset A_{n}$ is a sequence of extremal subsets such that $E_{n}\to E\subset A$ then $E$ is an extremal subset of $A$. The following is yet another important technical lemma: ###### 4.1.4. Lemma. [Perelman–Petrunin 1993, 3.1(2)] Let $A\in\text{{\nnn Alex}}$ be compact, then there is $\varepsilon>0$ such that $\operatorname{dist}_{E}$ has no critical values in $(0,\varepsilon)$. Moreover, $|\nabla_{x}\operatorname{dist}_{E}|>\varepsilon\ \ \text{if}\ \ 0<\operatorname{dist}_{E}(x)<\varepsilon.$ For a non-compact $A$, the same is true for the restriction $\operatorname{dist}_{E}|_{\Omega}$ to any bounded open $\Omega\subset A$. Proof. Follows from lemma 4.1.5 and theorem 4.1.2.∎ ###### 4.1.5. Lemma about an obtuse angle. Given $v>0$, $r>0$, $\kappa\in\mathbb{R}$ and $m\in\mathbb{N}$, there is $\varepsilon=\varepsilon(v,r,\kappa,m)>0$ such that if $A\in\text{{\nnn Alex}}^{m}(\kappa)$, $p\in A$, $\operatorname{vol}_{m}B_{r}(p)>v$, then for any two points $x,y\in B_{r}(p)$, $|xy|<\varepsilon$ there is point $z\in B_{r}(p)$ such that $\measuredangle zxy>\tfrac{\pi}{2}+\varepsilon$ or $\measuredangle zyx>\tfrac{\pi}{2}+\varepsilon$. The proof is based on a volume comparison for $\log_{x}\colon A\to T_{x}$ similar to [Grove–Petersen 1988, lemma 1.3]. Note that the tangent cone $T_{p}E$ of an extremal subset $E\subset A$ is well defined; i.e. for any $p\in E$, subsets $s\cdot E$ in $(s{\cdot}A,p)$ converge to a subcone of $T_{p}E\subset T_{p}A$ as $s\to\infty$. Indeed, assume $E\subset A$ is an extremal subset and $p\in E$. For any $\xi\in\Sigma_{p}E$292929For a closed subset $X\subset A$, and $p\in X$, $\Sigma_{p}X\subset\Sigma_{p}$ denotes the set of tangent directions to $X$ at $p$, i.e. the set of limits of $\uparrow_{p}^{q_{n}}$ for $q_{n}\to p$, $q_{n}\in X$., the radial curve $\operatorname{gexp}(t\cdot\xi)$ lies in $E$.303030that follows from the fact that the curves $t\mapsto\operatorname{gexp}(t\,\cdot\mskip-3.0mu\uparrow_{p}^{q_{n}})$ starting with $q_{n}$ belong to $E$ and their converge to $\operatorname{gexp}(t\cdot\xi)$ In particular, there is a curve which goes in any tangent direction of $E$. Therefore, as $s\to\infty$, $(s\cdot E\subset s{\cdot}A,p)$ converges to a subcone $T_{p}E\subset T_{p}A$, which is simply cone over $\Sigma_{p}E$ (see also [Perelman–Petrunin 1993, 3.3]) Next we list some properties of tangent cones of extremal subsets: 1. 2. A closed subset $E\subset A$ is extremal if and only if the following condition is fulfilled: 1. $\diamond$ At any point $p\in E$, its tangent cone $T_{p}E\subset T_{p}A$ is well defined, and it is an extremal subset of the tangent cone $T_{p}A$; compare [Perelman–Petrunin 1993, 1.4]. (Here is an equivalent formulation in terms of the space of directions: For any $p\in E$, either (a) $\Sigma_{p}E=\varnothing$ and $\operatorname{diam}\Sigma_{p}\leqslant\tfrac{\pi}{2}$ or (b) $\Sigma_{p}E=\\{\xi\\}$ is one point extremal subset and $\bar{B}_{\pi/2}(\xi)=\Sigma_{p}$ or (c) $\Sigma_{p}E$ is extremal subset of $\Sigma_{p}$ with at least two points.) $T_{p}E$ is extremal as a limit of extremal subsets, see lemma 4.1.3. On the other hand for any semiconcave function $f$ and $p\in E$, the differential $d_{p}f\colon T_{p}\to\mathbb{R}$ is concave and since $T_{p}E\subset T_{p}$ is extremal we have $\nabla_{p}f\in\nobreak T_{p}E$. I.e. gradient curves can be approximated by broken geodesics with vertices on $E$, see page 2.1.2. 2. 3. [Perelman–Petrunin 1993, 3.4–5] If $E$ and $F$ are extremal subsets then so are 1. (i) $E\cap F$ and for any $p\in E\cap F$ we have $T_{p}(E\cup F)=T_{p}E\cup\Sigma_{p}F$ 2. (ii) $E\cup F$ and for any $p\in E\cup F$ we have $T_{p}(E\cap F)=T_{p}E\cap\Sigma_{p}F$ 3. (iii) $\overline{E\backslash F}$ and for any $p\in\overline{E\backslash F}$ we have $T_{p}(\overline{E\backslash F})=\overline{T_{p}E\backslash T_{p}F}$ In particular, if $T_{p}E=T_{p}F$ then $E$ and $F$ coincide in a neighborhood of $p$. The properties (i) and (ii) are obvious. The property (iii) follows from property 2 and lemma 4.1.4. We continue with properties of the intrinsic metric of extremal subsets: 1. 4. [Perelman–Petrunin 1993, 3.2(3)] Let $A\in\text{{\nnn Alex}}^{m}(\kappa)$ and $E\subset A$ be an extremal subset. Then the induced metric of $E$ is locally bi-Lipschitz equivalent to its induced intrinsic metric. Moreover, the local Lipschitz constant at point $p\in E$ can be expressed in terms of $m$, $\kappa$ and volume of a ball $v=\operatorname{vol}B_{r}(p)$ for some (any) $r>0$. From lemma 4.1.5, it follows that for two sufficiently close points $x,y\in E$ near $p$ there is a point $z$ so that $\langle\nabla_{x}\operatorname{dist}_{z},\uparrow_{x}^{y}\rangle>\varepsilon$ or $\langle\nabla_{y}\operatorname{dist}_{z},\uparrow_{y}^{x}\rangle>\varepsilon$. Then, for the corresponding point, say $x$, the gradient curve $t\to\Phi^{t}_{\operatorname{dist}_{z}}(x)$ lies in $E$, it is 1-Lipschitz and the distance $|\Phi^{t}_{\operatorname{dist}_{z}}(x)\,y|$ is decreasing with the speed of at least $\varepsilon$. Hence the result. 2. 5. Let $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$ without collapse (i.e. $\operatorname{dim}A=m$) and $E_{n}\subset A_{n}$ be extremal subsets. Assume $E_{n}\to E\subset A$ as subsets. Then 1. (i) [Kapovitch 2007, 9.1] For all large $n$, there is a homeomorphism of pairs $(A_{n},E_{n})\to(A,E)$. In particular, for all large $n$, $E_{n}$ is homeomorphic to $E$, 2. (ii) [Petrunin 1997, 1.2] $E_{n}\buildrel\mathrm{GH}\over{\longrightarrow}E$ as length metric spaces (with the intrinsic metrics induced from $A_{n}$ and $A$). The first property is a coproduct of the proof of Perelman’s stability theorem. The proof of the second is an application of quasigeodesics. 3. 6. [Petrunin 1997, 1.4]The first variation formula. Assume $A\in\text{{\nnn Alex}}$ and $E\subset A$ is an extremal subset, let us denote by $|\mskip-3.0mu**|_{E}$ its intrinsic metric. Let $p,q\in E$ and $\alpha(t)$ be a curve in $E$ starting from $p$ in direction $\alpha^{+}(0)\in\Sigma_{p}E$. Then $|\alpha(t)\,q|_{E}=|pq|_{E}-\cos\varphi\cdot t+o(t).$ where $\varphi$ is the minimal (intrinsic) distance in $\Sigma_{p}E$ between $\alpha^{+}(0)$ and a direction of a shortest path in $E$ from $p$ to $q$ (if $\varphi>\pi$, we assume $\cos\varphi=-1$). 4. 7. Generalized Lieberman’s Lemma. Any minimizing geodesic for the induced intrinsic metric on an extremal subset is a quasigeodesic in the ambient space. See 2.3.1 for the proof and discussion. Let us denote by $\operatorname{Ext}(x)$ the minimal extremal subset which contains a point $x\in A$. Extremal subsets which can be obtained this way will be called _primitive_. Set $\operatorname{Ext}^{\circ}(x)=\\{y\in\operatorname{Ext}(x)|\operatorname{Ext}(y)=\operatorname{Ext}(x)\\};$ let us call $\operatorname{Ext}^{\circ}(x)$ the _main part_ of $\operatorname{Ext}(x)$. $\operatorname{Ext}^{\circ}(x)$ is the same as $\operatorname{Ext}(x)$ with its proper extremal subsets removed. From property 3iii on page 3iii, $\operatorname{Ext}^{\circ}(x)$ is open and everywhere dense in $\operatorname{Ext}(x)$. Clearly the main parts of primitive extremal subsets form a disjoint covering of $M$. 1. 8. [Perelman–Petrunin 1993, 3.8] Stratification. The main part of a primitive extremal subset is a topological manifold. In particular, the main parts of primitive extremal subsets stratify Alexandrov’s space into topological manifolds. This follows from theorem 4.1.2 and the Morse lemma (property 7 page 7); see also example iii, page iii. ### 4.2 Applications The notion of extremal subsets is used to make more precise formulations. Here is the simplest example, a version of the radius sphere theorem: ###### 4.2.1. Theorem. Let $A\in\text{{\nnn Alex}}^{m}(1)$, $\operatorname{diam}A>\tfrac{\pi}{2}$ and $A$ have no extremal subsets. Then $A$ is homeomorphic to a sphere. From lemma 5.2.1 and theorem 4.1.2, we have $A\in\text{{\nnn Alex}}(1)$, $\operatorname{rad}A>\tfrac{\pi}{2}$ implies that $A$ has no extremal subsets. I.e. this theorem does indeed generalize the radius sphere theorem 5.2.2(ii). Proof. Assume $p,q\in A$ realize the diameter of $A$. Since $A$ has no extremal subsets, from example iii, page iii, it follows that a small spherical neighborhood of $p\in A$ is homeomorphic to $\mathbb{R}^{m}$. From angle comparison, $\operatorname{dist}_{p}$ has only two critical points $p$ and $q$. Therefore, this theorem follows from the Morse lemma (property 7 page 7) applied to $\operatorname{dist}_{p}$. ∎ The main result of such type is the result in [Perelman 1997]. It roughly states that a collapsing to a compact space without proper extremal subsets carries a natural Serre bundle structure. This theorem is analogous to the following: ###### 4.2.2. Yamaguchi’s fibration theorem [Yamaguchi]. Let $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$ and $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}M$, $M$ be a Riemannian manifold. Then there is a sequence of locally trivial fiber bundles $\sigma_{n}\colon A_{n}\to M$. Moreover, $\sigma_{n}$ can be chosen to be _almost submetries_ 313131i.e. Lipshitz and co-Lipschitz with constants almost 1. and the diameters of its fibers converge to $0$. The conclusion in Perelman’s theorem is weaker, but on the other hand it is just as good for practical purposes. In addition it is sharp, i.e. there are examples of a collapse to spaces with extremal subsets which do not have the homotopy lifting property. Here is a source of examples: take a compact Riemannian manifold $M$ with an isometric and non-free action by a compact connected Lie group $G$, then $(M\times\varepsilon G)/G\buildrel\mathrm{GH}\over{\longrightarrow}M/G$ as $\varepsilon\to 0$ and since the curvature of $G$ is non-negative, by O’Naill’s formula, we get that the curvature of $(M\times\varepsilon G)/G$ is uniformly bounded below. ###### 4.2.3. Homotopy lifting theorem. Let $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $A$ be compact without proper extremal subsets and $K$ be a finite simplicial complex. Then, given a homotopy $F_{t}\colon K\to A,\ \ t\in[0,1]$ and a sequence of maps $G_{0;n}\colon K\to A_{n}$ such that $G_{0,n}\to F_{0}$ as $n\to\infty$ one can extend $G_{0;n}$ by homotopies $G_{t;n}\colon K\to A$ such that $G_{t;n}\to F_{t}$ as $n\to\infty$. An alternative proof is based on Lemma 2.3.4. ###### 4.2.4. Remark. As a corollary of this theorem one obtains that for all large $n$ it is possible to write a homotopy exact sequence: $\cdots\pi_{k}(F_{n})\longrightarrow\pi_{k}(A_{n})\longrightarrow\pi_{k}(A)\longrightarrow\pi_{k-1}(F_{n})\cdots,$ where the space $F_{n}$ can be obtained the following way: Take a point $p\in A$, and fix $\varepsilon>0$ so that $\operatorname{dist}_{p}\colon A\to\mathbb{R}$ has no critical values in the interval $(0,2{\cdot}\varepsilon)$. Consider a sequence of points $A_{n}\ni p_{n}\to p$ and take $F_{n}=B_{\varepsilon}(p_{n})\subset A_{n}$. In particular, if $p$ is a regular point then for large $n$, $F_{n}$ is homotopy equivalent to a _regular fiber over $p$_323232 It is constructed the following way: take a distance chart $G\colon B_{2{\cdot}\varepsilon}(p)\to\mathbb{R}^{k}$, $k=\operatorname{dim}A$ around $p\in A$ and lift it to $A_{n}$. It defines a map $G_{n}\colon B_{\varepsilon}(p_{n})\to\mathbb{R}^{k}$. Then take $F_{n}=G_{n}^{-1}\circ G(p)$ for large $n$. If $A_{n}$ are Riemannian then $F_{n}$ are manifolds and they do not depend on $p$ up to a homeomorphism. Moreover, $F_{n}$ are almost non-negatively curved in a generalized sense; see [KPT, definition 1.4].. Next we give two corollaries of the above remark. The last assertion of the following theorem was conjectured in [Shioya] and was proved in [Mendonça]. ###### 4.2.5. Theorem [Perelman 1997, 3.1]. Let $M$ be a complete noncompact Riemannian manifold of nonnegative sectional curvature. Assume that its asymptotic cone $\operatorname{Cone}_{\infty}(M)$ has no proper extremal subsets, then $M$ splits isometrically into the product $L\times N$, where $L$ is a compact Riemannian manifold and $N$ is a non-compact Riemannian manifold of the same dimension as $\operatorname{Cone}_{\infty}(M)$. In particular, the same conclusion holds if radius of the ideal boundary of $M$ is at least $\tfrac{\pi}{2}$. The proof is a direct application of theorem 4.2.3 and remark 4.2.4 for collapsing $\varepsilon{\cdot}M\buildrel\mathrm{GH}\over{\longrightarrow}\operatorname{Cone}_{\infty}(M),\ \ \text{as}\ \ \varepsilon\to 0.$ ###### 4.2.6. Theorem [Perelman 1997, 3.2]. Let $A_{n}\in\text{{\nnn Alex}}^{m}(1)$, $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$ be a collapsing sequence (i.e. $m>\operatorname{dim}A$), then $\operatorname{Cone}(A)$ has proper extremal subsets. In particular, $\operatorname{rad}A\leqslant\tfrac{\pi}{2}$. The last assertion of this theorem (in a stronger form) has been proven in [Grove–Petersen 1993, 3(3)]. The proof is a direct application of theorem 4.2.3 and remark 4.2.4 for collapsing of spherical suspensions $\Sigma(A_{n})\buildrel\mathrm{GH}\over{\longrightarrow}\Sigma(A),\ \ n\to\infty.$ ## 5 Quasigeodesics The class of quasigeodesics333333It should be noted that the class of quasigeodesics described here has nothing to do with the Gromov’s quasigeodesics in $\delta$-hyperbolic spaces. generalizes the class of geodesics to nonsmooth metric spaces. It was first introduced in [Alexandrov 1945] for $2$-dimensional convex hypersurfaces in the Euclidean space, as the curves which “turn” right and left simultaneously. They were studied further in [Alexandrov–Burago], [Pogorelov], [Milka 1971] and was generalized to surfaces with bounded integral curvature [Alexandrov 1949] and to multidimensional polyhedral spaces [Milka 1968], [Milka 1969]. For multi- dimensional Alexandrov’s spaces they were introduced in the author’s master thesis; in print they appear first in [Perelman–Petrunin QG]. In Alexandrov’s spaces, quasigeodesics behave more naturally than geodesics, mainly: 1. $\diamond$ There is a quasigeodesic starting in any direction from any point; 2. $\diamond$ The limit of quasigeodesics is a quasigeodesic. Quasigeodesics have beauty on their own, but also due to the generalized Lieberman lemma (2.3.1), they are very useful in the study of intrinsic metric of extremal subsets, in particular the boundary of Alexandrov’s space. Since quasigeodesics behave almost as geodesics, they are often used instead of geodesics in the situations when there is no geodesic in a given direction. In most of these applications one can instead use the radial curves of gradient exponent, see section 3; a good example is the proof of theorem 3.3.1, see footnote 21, page 21. In this type of argument, radial curves could be considered as a simpler and superior tool since they can be defined in a more general setting, in particular, for infinitely dimensional Alexandrov’s spaces. ### 5.1 Definition and properties In section 1, we defined $\lambda$-concave functions as those locally Lipschitz functions whose restriction to any unit-speed minimizing geodesic is $\lambda$-concave. Now consider a curve $\gamma$ in an Alexandrov’s space such that restriction of any $\lambda$-concave function to $\gamma$ is $\lambda$-concave. It is easy to see that for any Riemannian manifold $\gamma$ has to be a unit-speed geodesic. In a general Alexandrov’s space $\gamma$ should only be a quasigeodesic. ###### 5.1.1. Definition. A curve $\gamma$ in an Alexandrov’s space is called _quasigeodesic_ if for any $\lambda\in\mathbb{R}$, given a $\lambda$-concave function $f$ we have that $f\circ\gamma$ is $\lambda$-concave. Although this definition works for any metric space, it is only reasonable to apply it for the spaces where we have $\lambda$-concave functions, but not all functions are $\lambda$-concave, and Alexandrov’s spaces seem to be the perfect choice. The following is a list of corollaries from this definition: 1. 1. Quasigeodesics are unit-speed curves. I.e., if $\gamma(t)$ is a quasigeodesic then for any $t_{0}$ we have $\lim_{t\to t_{0}}\frac{|\gamma(t)\gamma(t_{0})|}{|t-t_{0}|}=1.$ To prove that quasigeodesic $\gamma$ is $1$-Lipschitz at some $t=t_{0}$, it is enough to apply the definition for $f=\operatorname{dist}_{\gamma(t_{0})}^{2}$ and use the fact that in any Alexandrov’s space $\operatorname{dist}_{p}^{2}$ is $(2+O(r^{2}))$-concave in $B_{r}(p)$. The lower bound is more complicated, see theorem 7.3.3. 2. 2. For any quasigeodesic the right and left tangent vectors $\gamma^{+}$, $\gamma^{-}$ are uniquely defined unit vectors. To prove, take a partial limits $\xi^{\pm}\in T_{\gamma(t_{0})}$ for $\frac{\log_{\gamma(t_{0})}\gamma(t_{0}\pm\tau)}{\tau},\ \ \text{as}\ \ \tau\to 0+$ It exists since quasigeodesics are 1-Lipschitz (see the previous property). For any semiconcave function $f$, $(f\circ\gamma)^{\pm}$ are well defined, therefore $(f\circ\gamma)^{\pm}(t_{0})=d_{\gamma(t_{0})}f(\xi^{\pm}).$ Taking $f=\operatorname{dist}_{q}^{2}$ for different $q\in A$, one can see that $\xi^{\pm}$ is defined uniquely by this identity, and therefore $\gamma^{\pm}(t_{0})=\xi^{\pm}$. 3. 3. Generalized Lieberman’s Lemma. Any unit-speed geodesic for the induced intrinsic metric on an extremal subset is a quasigeodesic in the ambient Alexandrov’s space. See 2.3.1 for the proof and discussion. 4. 4. For any point $x\in A$, and any direction $\xi\in\Sigma_{x}$ there is a quasigeodesic $\gamma\colon\mathbb{R}\to A$ such that $\gamma(0)=x$ and $\gamma^{+}(0)=\xi$. Moreover, if $E\subset A$ is an extremal subset and $x\in E$, $\xi\in\Sigma_{x}E$, then $\gamma$ can be chosen to lie completely in $E$. The proof is quite long, it is given in appendix A. Applying the definition locally, we get that if $f$ is a $(1-\kappa{\cdot}f)$-concave function then $f\circ\gamma$ is $(1-\kappa{\cdot}f\circ\gamma)$-concave (see section 1.2). In particular, if $A$ is an Alexandrov’s space with curvature $\geqslant\kappa$, $p\in A$ and $h_{p}(t)=\rho_{\kappa}\circ\operatorname{dist}_{p}\circ\gamma(t)$343434Function $\rho_{\kappa}\colon\mathbb{R}\to\mathbb{R}$ is defined on page 1.2 then we have the following inequality in the _barrier sense_ $h_{p}^{\prime\prime}\leqslant 1-\kappa{\cdot}h_{p}.$ This inequality can be reformulated in an equivalent way: Let $A\in\text{{\nnn Alex}}^{m}(\kappa)$, $p\in A$ and $\gamma$ be a quasigeodesic, then function $t\mapsto\tilde{\measuredangle}_{\kappa}(|\gamma(0)p|,|\gamma(t)p|,t)$ is decreasing for any $t>0$ (if $\kappa>0$ then one has to assume $t\leqslant\pi/\sqrt{\kappa}$). In particular, $\tilde{\measuredangle}_{\kappa}(|\gamma(0)p|,|\gamma(t)p|,t)\leqslant\measuredangle(\uparrow_{\gamma(0)}^{p},\gamma^{+}(0))$ for any $t>0$ (if $\kappa>0$ then in addition $t\leqslant\pi/\sqrt{\kappa}$). It also can be reformulated more geometrically using the notion of developing (see below): Any quasigeodesic in an Alexandrov’s space with curvature $\geqslant\kappa$, has a convex $\kappa$-developing with respect to any point. ###### 5.1.2. Definition of developing [Alexandrov 1957]. Fix a real $\kappa$. Let $X$ be a metric space, $\gamma\colon[a,b]\to X$ be a 1-Lipschitz curve and $p\in X\backslash\gamma$. If $\kappa>0$, assume in addition that $|p\gamma(t)|<\pi/\sqrt{\kappa}$ for all $t\in[a,b]$. Then there exists a unique (up to rotation) curve $\tilde{\gamma}\colon[a,b]\to\hbox{\tencyr L}_{\kappa}$, parametrized by the arclength, and such that $|o\tilde{\gamma}(t)|=|p\gamma(t)|$ for all $t$ and some fixed $o\in\hbox{\tencyr L}_{\kappa}$, and the segment $o\tilde{\gamma}(t)$ turns clockwise as $t$ increases (this is easy to prove). Such a curve $\tilde{\gamma}$ is called the _$\kappa$ -development of $\gamma$ with respect to $p$_. The development $\tilde{\gamma}$ is called _convex_ if for every $t\in(a,b)$, for sufficiently small $\tau>0$ the curvilinear triangle, bounded by the segments $o\tilde{\gamma}(t\pm\tau)$ and the arc $\tilde{\gamma}|_{t-\tau,t+\tau}$, is convex. In [Milka 1971], it has been proven that the developing of a quasigeodesic on a convex surface is convex. 1. 5. Let $A\in\text{{\nnn Alex}}^{m}(\kappa)$, $m>1$353535This condition is only needed to ensure that the set $A\backslash\gamma$ is everywhere dense.. A curve $\gamma$ in $A$ is a quasigeodesic if and only if it is parametrized by arc-length and one of the following properties is fulfilled: 1. (i) For any point $p\in A\backslash\gamma$ the $\kappa$-developing of $\gamma$ with respect to $p$ is convex. 2. (ii) For any point $p\in A$, if $h_{p}(t)=\rho_{\kappa}\circ\operatorname{dist}_{p}\circ\gamma(t)$, then we have the following inequality in _a barrier sense_ $h_{p}^{\prime\prime}\leqslant 1-\kappa{\cdot}h_{p}.$ 3. (iii) Function $t\mapsto\tilde{\measuredangle}_{\kappa}(|\gamma(0)p|,|\gamma(t)p|,t)$ is decreasing for any $t>0$ (if $\kappa>0$ then in addition $t\leqslant\pi/\sqrt{\kappa}$). 4. (iv) The inequality $\measuredangle(\uparrow_{\gamma(0)}^{p},\gamma^{+}(0))\geqslant\tilde{\measuredangle}_{\kappa}(|\gamma(0)p|,|\gamma(t)p|,t)$ holds for all small $t>0$. The “only if” part has already been proven above, and the “if” part follows from corollary 3.3.3 2. 6. A pointwise limit of quasigeodesics is a quasigeodesic. More generally: Assume $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $\operatorname{dim}A=m$ (i.e. it is not a collapse). Let $\gamma_{n}\colon[a,b]\to A_{n}$ be a sequence of quasigeodesics which converges pointwise to a curve $\gamma\colon[a,b]\to A$. Then $\gamma$ is a quasigeodesic. As it follows from lemma 7.2.3, the statement in the definition is correct for any $\lambda$-concave function $f$ which has controlled convexity type $(\lambda,\kappa)$. I.e. $\gamma$ satisfies the property 7.3.4. In particular, the $\kappa$-developing of $\gamma$ with respect to any point $p\in A$ is convex, and as it is noted in remark 7.3.5, $\gamma$ is a unit-speed curve. Therefore, from corollary 3.3.3 we get that it is a quasigeodesic. Here is a list of open problems on quasigeodesics: 1. (i) Is there an analog of the Liouvile theorem for “quasigeodesic flow”? 2. (ii) Is it true that any finite quasigeodesic has bounded variation of turn? or Is it possible to approximate any finite quasigeodesic by sequence of broken lines with bounded variation of turn? 3. (iii) Is it true that in an Alexandrov’s space without boundary there is an infinitely long geodesic? As it was noted by A. Lytchak, the first and last questions can be reduced to the following: Assume $A$ is a compact Alexandrov’s $m$-space without boundary. Let us set $V(r)=\int_{A}\operatorname{vol}_{m}(B_{r}(x))$, then $V(r)=\operatorname{vol}_{m}(A)\omega_{m}r^{m}+o(r^{m+1})$. The technique of _tight maps_ makes it possible to prove only that $V(r)=\nobreak\operatorname{vol}_{m}(A)\omega_{m}r^{m}+O(r^{m+1})$. Note that if $A$ is a Riemannian manifold with boundary then $V(r)=\operatorname{vol}_{m}(A)\omega_{m}r^{m}+\operatorname{vol}_{m-1}(\partial A)\omega^{\prime}_{m}r^{m+1}+o(r^{m+1})$. ### 5.2 Applications. The quasigeodesics is the main technical tool in the questions linked to the intrinsic metric of extremal subsets, in particular the boundary of Alexandrov’s space. The main examples are the proofs of convergence of intrinsic metric of extremal subsets and the first variation formula (see properties 5ii and 6, on page 5ii). Below we give a couple of simpler examples: ###### 5.2.1. Lemma. Let $A\in\text{{\nnn Alex}}^{m}(1)$ and $\operatorname{rad}A>\tfrac{\pi}{2}$. Then for any $p\in A$ the space of directions $\Sigma_{p}$ has radius $>\tfrac{\pi}{2}$. Proof. Assume that $\Sigma_{p}$ has radius $\leq\tfrac{\pi}{2}$, and let $\xi\in\Sigma_{p}$ be a direction, such that $\bar{B}_{\xi}(\tfrac{\pi}{2})=\Sigma_{p}$. Consider a quasigeodesic $\gamma$ starting at $p$ in direction $\xi$. Then for $q=\gamma(\tfrac{\pi}{2})$ we have $\bar{B}_{q}(\tfrac{\pi}{2})=A$. Indeed, for any point $x\in A$ we have $\measuredangle(\xi,\uparrow_{p}^{x})\leqslant\tfrac{\pi}{2}$. Therefore, by the comparison inequality (property 5iv, page 5iv), $|xq|\leqslant\tfrac{\pi}{2}$. This contradicts our assumption that $\operatorname{rad}A>\tfrac{\pi}{2}$. ∎ ###### 5.2.2. Corollary. Let $A\in\text{{\nnn Alex}}^{m}(1)$ and $\operatorname{rad}A>\tfrac{\pi}{2}$ then 1. (i) $A$ has no extremal subsets. 2. (ii) [Grove–Petersen 1993](radius sphere theorem) $A$ is homeomorphic to an $m$-sphere. Yet another proof of the radius sphere theorem follows immediately from [Perelman–Petrunin 1993, 1.2, 1.4.1]; theorem 4.2.1 gives a slight generalization. Proof. Part (i) is obvious. Part (ii): From lemma 5.2.1, $\operatorname{rad}\Sigma_{p}>\tfrac{\pi}{2}$. Since $\operatorname{dim}\Sigma_{p}<m$, by the induction hypothesis we have $\Sigma_{p}\simeq S^{m-1}$. Now the Morse lemma (see property 7, page 7) for $\operatorname{dist}_{p}\colon A\to\mathbb{R}$ gives that $A\simeq\Sigma(\Sigma_{p})\simeq S^{m}$, here $\Sigma(\Sigma_{p})$ denotes a spherical suspension over $\Sigma_{p}$.∎ ## 6 Simple functions This is a short technical section. Here we introduce _simple functions_ , a subclass of semiconcave functions which on one hand includes all functions we need and in addition is liftable; i.e. for any such function one can construct a nearby function on a nearby space with “similar” properties. Our definition of simple function is a modification of two different definitions of so called “admissible functions” given in [Perelman 1993, 3.2] and [Kapovitch 2007, 5.1]. ###### 6.1.1. Definition Let $A\in\text{{\nnn Alex}}$, a function $f\colon A\to\mathbb{R}$ is called _simple_ if there is a finite set of points $\\{q_{i}\\}_{i=1}^{N}$ and a semiconcave function $\Theta\colon\mathbb{R}^{N}\to\mathbb{R}$ which is non-decreasing in each argument such that $f(x)=\Theta(\operatorname{dist}_{q_{1}}^{2},\operatorname{dist}_{q_{2}}^{2},\dots,\operatorname{dist}_{q_{N}}^{2})$ It is straightforward to check that simple functions are semiconcave. Class of simple functions is closed under summation, multiplication by a positive constant363636as well as multiplication by positive simple functions and taking the minimum. In addition this class is liftable; i.e. given a converging sequence of Alexandrov’s spaces $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$ and a simple function $f\colon A\to\mathbb{R}$ there is a way to construct a sequence of functions $f_{n}\colon A_{n}\to\mathbb{R}$ such that $f_{n}\to f$. Namely, for each $q_{i}$ take a sequence $A_{n}\ni q_{i,n}\to q_{i}\in A$ and consider function $f_{n}\colon A_{n}\to\mathbb{R}$ defined by $f_{n}=\Theta(\operatorname{dist}_{q_{1,n}}^{2},\operatorname{dist}_{q_{2,n}}^{2},\dots,\operatorname{dist}_{q_{N,n}}^{2}).$ ### 6.2 Smoothing trick. Here we present a trick which is very useful for doing local analysis in Alexandrov’s spaces, it was introduced in [Otsu–Shioya, section 5]. Consider function $\widetilde{\operatorname{dist}}_{p}=\oint\limits_{B_{\varepsilon}(p)}\operatorname{dist}_{x}\cdot dx.$ In this notation, we do not specify $\varepsilon$ assuming it to be very small. It is easy to see that $\widetilde{\operatorname{dist}}_{p}$ is semiconcave. Note that $d_{y}\widetilde{\operatorname{dist}}_{p}=\oint\limits_{B_{\varepsilon}(p)}d_{y}\operatorname{dist}_{x}\cdot dx.$ If $y\in A$ is regular, i.e. $T_{y}$ is isometric to Euclidean space, then for almost all $x\in B_{\varepsilon}(p)$ the differential $d_{y}\operatorname{dist}_{x}\colon T_{y}\to\mathbb{R}$ is a linear function. Therefore $\widetilde{\operatorname{dist}}_{p}$ is differentiable at every regular point, i.e. $d_{y}\widetilde{\operatorname{dist}}_{p}\colon T_{y}\to\mathbb{R}$ is a linear function for any regular $y\in A$. The same trick can be applied to any simple function $f(x)=\Theta(\operatorname{dist}_{q_{1}}^{2},\operatorname{dist}_{q_{2}}^{2},\dots,\operatorname{dist}_{q_{N}}^{2}).$ This way we obtain function $\tilde{f}(x)=\oint_{B_{\varepsilon}(q_{1})\times B_{\varepsilon}(q_{2})\times\cdots\times B_{\varepsilon}(q_{N})}\Theta(\operatorname{dist}_{x_{1}}^{2},\operatorname{dist}_{x_{2}}^{2},\dots,\operatorname{dist}_{x_{N}}^{2})\cdot dx_{1}\cdot dx_{2}\cdots dx_{N},$ which is differentiable at every regular point, i.e. if $T_{y}$ is isometric to the Euclidean space then $d_{y}\tilde{f}\colon T_{y}\to\mathbb{R}$ is a linear function. ## 7 Controlled concavity In this and the next sections we introduce a couple of techniques which use comparison of $m$-dimensional Alexandrov’s space with a model space of the same dimension $\hbox{\tencyr L}_{\kappa}^{m}$ (i.e. simply connected Riemannian manifold with constant curvature $\kappa$). These techniques were introduced in [Perelman 1993] and [Perelman-DC]. We start with the local existence of a strictly concave function on an Alexandrov’s space. ###### 7.1.1. Theorem [Perelman 1993, 3.6]. Let $A\in\text{{\nnn Alex}}$. For any point $p\in A$ there is a strictly concave function $f$ defined in an open neighborhood of $p$. Moreover, given $v\in T_{p}$, the differential, $d_{p}f(x)$, can be chosen arbitrarily close to $x\mapsto-\langle v,x\rangle$ $q$$\gamma(t)$$\alpha(t)$ Proof. Consider the real function $\varphi_{r,c}(x)=(x-r)-c{(x-r)^{2}}/r,$ so we have $\varphi_{r,c}(r)=0,\ \ \varphi_{r,c}^{\prime}(r)=1\ \ \varphi_{r,c}^{\prime\prime}(r)=-{2c}/{r}.$ Let $\gamma$ be a unit-speed geodesic, fix a point $q$ and set $\alpha(t)=\measuredangle(\gamma^{+}(t),\uparrow_{\gamma(t)}^{q}).$ If $r>0$ is sufficiently small and $|q\gamma(t)|$ is sufficiently close to $r$, then direct calculations show that $(\varphi_{r,c}\circ\operatorname{dist}_{q}\circ\gamma)^{\prime\prime}(t)\leqslant\frac{3-c\cdot\cos^{2}\alpha(t)}{r}.$ Now, assume $\\{q_{i}\\}$, $i=\\{1,..,N\\}$ is a finite set of points such that $|pq_{i}|=r$ for any $i$. For $x\in A$ and $\xi_{x}\in\Sigma_{x}$, set $\alpha_{i}(\xi_{x})=\measuredangle(\xi_{x},\uparrow_{p}^{q_{i}})$. Assume we have a collection $\\{q_{i}\\}$ such that for any $x\in B_{\varepsilon}(p)$ and $\xi_{x}\in\Sigma_{x}$ we have $\max_{i}\\{|\alpha_{i}(\xi_{x})-\tfrac{\pi}{2}|\\}\geqslant\varepsilon>0$. Then taking in the above inequality $c>3N/\cos^{2}\varepsilon$, we get that the function $f=\sum_{i}\varphi_{r,c}\circ\operatorname{dist}_{q_{i}}$ is strictly concave in $B_{\varepsilon^{\prime}}(p)$ for some positive $\varepsilon^{\prime}<\varepsilon$. To construct the needed collection $\\{q_{i}\\}$, note that for small $r>0$ one can construct $N_{\delta}\geqslant\operatorname{Const}/\delta^{(m-1)}$ points $\\{q_{i}\\}$ such that $|pq_{i}|=r$ and $\tilde{\measuredangle}_{\kappa}q_{i}pq_{j}>\delta$ (here $\operatorname{Const}=\operatorname{Const}(\Sigma_{p})>0$). On the other hand, the set of directions which is orthogonal to a given direction is smaller than $S^{m-2}$ and therefore contains at most $\operatorname{Const}(m)/\delta^{(m-2)}$ directions with angles at least $\delta$. Therefore, for small enough $\delta>0$, $\\{q_{i}\\}$ forms the needed collection. If $r$ is small enough, points $q_{i}$ can be chosen so that all directions $\uparrow_{p}^{q_{i}}$ will be $\varepsilon$-close to a given direction $\xi$ and therefore the second property follows. ∎ Note that in the theorem 7.1.1 (as well as in theorem 7.2.2), the function $f$ can be chosen to have maximum value $0$ at $p$, $f(p)=0$ and with $d_{p}f(x)$ arbitrary close to $-|x|$. It can be constructed by taking the minimum of the functions in these theorems. In particular it follows that ###### 7.1.2. Claim. For any point of an Alexandrov’s space there is an arbitrary small closed convex neighborhood. By rescaling and passing to the limit one can even estimate the size of the convex hull in an Alexandrov’s space in terms of the volume of a ball containing it: ###### 7.1.3. Lemma on strictly concave convex hulls [Perelman–Petrunin 1993, 4.3]. For any $v>0$, $r>0$ and $\kappa\in\mathbb{R}$, $m\in\mathbb{N}$ there is $\varepsilon>0$ such that, if $A\in\text{{\nnn Alex}}^{m}(\kappa)$ and $\operatorname{vol}B_{r}(p)\geqslant v$ then for any $\rho<\varepsilon\cdot r$, $\operatorname{diam}\operatorname{Conv}B_{\rho}(p)\leqslant\rho/\varepsilon.$ In particular, for any compact Alexandrov’s $A$ space there is $\operatorname{Const}\in\mathbb{R}$ such that for any subset $X\subset A$ $\operatorname{diam}\left(\operatorname{Conv}X\right)\leqslant\operatorname{Const}\cdot\operatorname{diam}X.$ ### 7.2 General definition. The above construction can be generalized and optimized in many ways to fit particular needs. Here we introduce one such variation which is not the most general, but general enough to work in most applications. Let $A$ be an Alexandrov’s space and $f\colon A\to\mathbb{R}$, $f=\Theta(\operatorname{dist}^{2}_{q_{1}},\operatorname{dist}^{2}_{q_{2}},\dots,\operatorname{dist}^{2}_{q_{N}})$ be a _simple function_ (see section 6). If $A$ is $m$-dimensional, we say that such a function $f$ has _controlled concavity of type_ $(\lambda,\kappa)$ at $p\in A$, if for any $\varepsilon>0$ there is $\delta>0$, such that for any collection of points $\\{\tilde{p},\tilde{q}_{i}\\}$ in the _model $m$-space_373737i.e. a simply connected $m$-manifold with constant curvature $\kappa$. $\hbox{\tencyr L}_{\kappa}^{m}$ satisfying $|\tilde{q}_{i}\tilde{q}_{j}|>|q_{i}q_{j}|-\delta\ \ \text{and}\ \ \bigl{|}|\tilde{p}\tilde{q}_{i}|-|pq_{i}|\bigr{|}<\delta\ \ \text{for all}\ \ i,j,$ we have that the function $\tilde{f}\colon\hbox{\tencyr L}_{\kappa}^{m}\to\mathbb{R}$ defined by $\tilde{f}=\Theta(\operatorname{dist}^{2}_{\tilde{q}_{1}},\operatorname{dist}^{2}_{\tilde{q}_{2}},..,\operatorname{dist}^{2}_{\tilde{q}_{n}})$ is $(\lambda-\varepsilon)$-concave in a small neighborhood of $\tilde{p}$. The following lemma states that the conrolled concavity is stronger than the usual concavity. ###### 7.2.1. Lemma. Let $A\in\text{{\nnn Alex}}^{m}(\kappa)$. If a simple function $f=\Theta(\operatorname{dist}^{2}_{q_{1}},\operatorname{dist}^{2}_{q_{2}},..,\operatorname{dist}^{2}_{q_{N}}),\ \ f\colon A\to\mathbb{R}$ has a conrolled concavity type $(\lambda,\kappa)$ at each point $p\in\Omega$, then $f$ is $\lambda$-concave in $\Omega$. The proof is just a direct calculation similar to that in the proof of 7.1.1. Note also, that the function constructed in the proof of theorem 7.1.1 has controlled concavity. In fact from the same proof follows: ###### 7.2.2. Existence. Let $A\in\text{{\nnn Alex}}$, $p\in A$, $\lambda,\kappa\in\mathbb{R}$. Then there is a function $f$ of controlled concavity $(\lambda,\kappa)$ at $p$. Moreover, given $v\in T_{p}$, the function $f$ can be chosen so that its differential $d_{p}f(x)$ will be arbitrary close to $x\mapsto-\langle v,x\rangle$. Since functions with a conrolled concavity are simple they admit liftings, and from the definition it is clear that these liftings also have controlled concavity of the same type, i.e. ###### 7.2.3. Concavity of lifting. Let $A\in\text{{\nnn Alex}}^{m}$. Assume a simple function $f\colon A\to\mathbb{R},\ \ f=\Theta(\operatorname{dist}^{2}_{q_{1}},\operatorname{dist}^{2}_{q_{2}},..,\operatorname{dist}^{2}_{q_{N}})$ has controlled concavity type $(\lambda,\kappa)$ at $p$. Let $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$ (so, no collapse) and $\\{p_{n}\\},\\{q_{i,n}\\}\in A_{n}$ be sequences of points such that $p_{n}\to p\in A$ and $q_{i,n}\to q_{i}\in A$ for each $i$. Then for all large $n$, the liftings of $f$, $f_{n}\colon A_{n}\to\mathbb{R},\ \ f_{n}=\Theta(\operatorname{dist}^{2}_{q_{1,n}},\operatorname{dist}^{2}_{q_{2,n}},..,\operatorname{dist}^{2}_{q_{N,n}})$ have controlled concavity type $(\lambda,\kappa)$ at $p_{n}$. In other words, if $f\colon A\to\mathbb{R}$ has controlled concavity type $(\lambda,\kappa)$ at all points of some open set $\Omega\subset A$, then $f_{n}\colon A_{n}\to\mathbb{R}$ have controlled concavity type $(\lambda,\kappa)$ at all points of some sequence of open sets $\Omega_{n}\subset A_{n}$, such that $\Omega_{n}$ complement-converges to $\Omega$ (i.e. $A_{n}\backslash\Omega_{n}\to A\backslash\Omega$ in Hausdorff sense). ### 7.3 Applications As was already noted, in the theorems 7.1.1 and 7.2.2, the function $f$ can be chosen to have a maximum value $0$ at $p$, and with $d_{p}f(x)$ arbitrary close to $-|x|$. This observation was used in [Kapovitch 2002] to solve the second part of problem 32 from [Petersen 1996]: ###### 7.3.1. Petersen’s problem. Let $A$ be a smoothable Alexandrov’s $m$-space, i.e. there is a sequence of Riemannian $m$-manifolds $M_{n}$ with curvature $\geqslant\kappa$ such that $M_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$. Prove that the space of directions $\Sigma_{x}A$ for any point $x\in A$ is homeomorphic to the standard sphere. Note that Perelman’s stability theorem (see [Perelman 1991], [Kapovitch 2007]) only gives that $\Sigma_{x}A$ has to be homotopically equivalent to the standard sphere. Sketch of the proof: Fix a big negative $\lambda$ and construct a function $f\colon A\to\mathbb{R}$ with $d_{p}f(x)\approx-|x|$ and controlled concavity of type $(\lambda,\kappa)$. From 7.2.1, the liftings $f_{n}\colon M_{n}\to\mathbb{R}$ of $f$ (see 7.2.3) are strictly concave for large $n$. Let us slightly smooth the functions $f_{n}$ keeping them strictly concave. Then the level sets $f^{-1}_{n}(a)$, for values of $a$, which are little below the maximum of $f_{n}$, have strictly positive curvature and are diffeomorphic to the standard sphere383838Since $f$ has only one critical value above $a$ and it is a local maximum.. Let us denote by $p_{n}\in M_{n}$ a maximum point of $f_{n}$. Then it is not hard to choose a sequence $\\{a_{n}\\}$ and a sequence of rescalings $\\{s_{n}\\}$ so that $(s_{n}M_{n},p_{n})\buildrel\mathrm{GH}\over{\longrightarrow}(T_{p},o_{p})$ and $s_{n}\cdot f^{-1}_{n}(a_{n})\subset s_{n}M_{n}$ converge to a convex hypersurface $S$ close to $\Sigma_{p}\subset T_{p}$. Then, from Perelman’s stability theorem, it follows that $S$ and therefore $\Sigma_{p}$ is homeomorphic to the standard sphere. ∎ Remark. From this proof it follows that $\Sigma_{p}$ is itself smoothable. Moreover, there is a non-collapsing sequence of Riemannian metrics $g_{n}$ on $S^{m-1}$ such that $(S^{m-1},g_{n})\buildrel\mathrm{GH}\over{\longrightarrow}\Sigma_{p}$. This observation makes possible to proof a similar statement for iterated spaces of directions of smoothable Alexandrov space. In the case of collapsing, the liftings $f_{n}$ of a function $f$ with controlled concavity type do not have the same controlled concavity type. Nevertheless, the liftings are semiconcave and moreover, as was noted in [Kapovitch 2005], if $M_{n}$ is a sequence of $(m+k)$-dimensional Riemannian manifolds with curvature $\geqslant\kappa$, $M_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $\operatorname{dim}A=m$, then one has a good control over the sum of $k+1$ maximal eigenvalues of their Hessians. In particular, a construction as in the proof of theorem 7.1.1 gives a strictly concave function on $A$ for which the liftings $f_{n}$ on $A_{n}$ have Morse index $\leqslant k$. It follows that one can retract an $\varepsilon$-neighborhood of $p_{n}$ to a $k$-dimensional CW-complex393939it is unknown whether it could be retracted to an $k$-submanifold. If true, it would give some interesting applications, where $p_{n}\in A_{n}$ is a maximum point of $f_{n}$ and $\varepsilon$ does not depend on $n$. This observation gives a lower bound for the _codimension of a collapse_ 404040in our case, it is $k$; the difference between the dimension of spaces from the collapsing sequence and the dimension of the limit space to particular spaces. For example, for any lower curvature bound $\kappa$, the codimension of a collapse to $\Sigma(\mathbb{H}\mathrm{P}^{m})$414141i.e. a spherical suspension over $\mathbb{H}\mathrm{P}^{m}$ is at least 3, and for $\Sigma(Ca\mskip-3.0mu\operatorname{P}^{2})$ is at least 8 (it is expected to be $\infty$). In addition, it yields the following theorem, which seems to be the only sphere theorem which does not assume positiveness of curvature. ###### 7.3.2. Funny sphere theorem. If a $4{\cdot}(m+1)$-dimensional Riemannian manifold $M$ with sectional curvature $\geqslant\kappa$ is sufficiently close424242i.e. $\varepsilon$-close for some $\varepsilon=\varepsilon(\kappa,m)$ to $\Sigma(\mathbb{H}\mathrm{P}^{m})$, then it is homeomorphic to a sphere. The controlled concavity also gives a short proof of the following result: ###### 7.3.3. Theorem. Any quasigeodesic is a unit-speed curve. Proof. To prove that a quasigeodesic $\gamma$ is $1$-Lipschitz at some $t=t_{0}$, it is enough to apply the definition for $f=\operatorname{dist}_{\gamma(t_{0})}^{2}$ and use the fact that in any Alexandrov’s space $\operatorname{dist}_{p}^{2}$ is $(2+O(r^{2}))$-concave in $B_{r}(p)$. Note that if $A_{n},A\in\text{{\nnn Alex}}^{m}(\kappa)$, $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$ without collapse, and $\gamma_{n}$ in $A_{n}$ is a sequence of quasigeodesics which converges to a curve $\gamma$ in $A$, then $\gamma$ has the following property434343from statement 6, page 6, we that $\gamma$ is a quasigeodesic, but its proof is based on this theorem: ###### 7.3.4. Property. For any function $f$ on $A$ with controlled concavity type $(\lambda,\kappa)$ we have that $f\circ\gamma$ is $\lambda$-concave. If $\gamma$ is a quasigeodesic in $A$ with $\gamma(0)=p$, then the curves $\gamma(t/s)$ are quasigeodesics in $s{\cdot}A$. Therefore, as $s\to\infty$, the limit curve $\gamma_{\infty}(t)=\left[\begin{matrix}|t|\cdot\gamma^{+}(0)&\text{if}\ \ t\geqslant 0\\\ |t|\cdot\gamma^{-}(0)&\text{if}\ \ t<0\\\ \end{matrix}\right.$ in $T_{p}$ has the above property. By a construction similar444444Setting $v=\gamma^{\pm}(0)\in T_{p}$ and $w=2\gamma^{\pm}(0)$, this function can be presented as a sum $f=A(\varphi_{r,c}\circ\operatorname{dist}_{o}+\varphi_{r,c}\circ\operatorname{dist}_{w})+B\sum_{i}\varphi_{r^{\prime},c^{\prime}}\circ\operatorname{dist}_{q_{i}},$ for appropriately chosen positive reals $A,\ B,\ r,\ r^{\prime},\ c,\ c^{\prime}$ and a collection of points $q_{i}$ such that, $\measuredangle opq_{i}=\tilde{\measuredangle}_{0}opq_{i}=\tfrac{\pi}{2}$, $|pq_{i}|=r$ . to theorem 7.1.1, for any $\varepsilon>0$ there is a function $f$ of controlled concavity type $(-2+\varepsilon,-\varepsilon)$ on a neighborhood of $\gamma^{\pm}\in T_{p}$ such that $f(t\cdot\gamma^{\pm})=-(t-1)^{2}+o((t-1)^{2}).$ Applying the property above we get $|\gamma^{\pm}(0)|\geqslant 1$. ∎ ###### 7.3.5. Remark. Note that we have proven a slightly stronger statement; namely, if a curve $\gamma$ satisfies the property 7.3.4 then it is a unit-speed curve. ###### 7.3.6. Question. Is it true that for any point $p\in A$ and any $\varepsilon>0$, there is a $(-2+\varepsilon)$-concave function $f_{p}$ defined in a neighborhood of $p$, such that $f_{p}(p)=0$ and $f_{p}\geqslant-\operatorname{dist}_{p}^{2}$? Existence of a such function would be a useful technical tool. In particular, it would allow for an easier proof of the above theorem. ## 8 Tight maps The tight maps considered in this section give a more flexible version of distance charts. Similar maps (so called _regular maps_) were used in [Perelman 1991] [Perelman 1993], and then they were modified to nearly this form in [Perelman-DC]. This technique is also useful for Alexandrov’s spaces with upper curvature bound, see [Lytchak–Nagano]. ###### 8.1.1. Definition. Let $A\in\text{{\nnn Alex}}^{m}$ and $\Omega\subset A$ be an open subset. A collection of semiconcave functions $f_{0},f_{1},\dots,f_{\ell}$ on $A$ is called _tight in $\Omega$_ if $\sup_{x\in\Omega,\,i\not=j}\\{d_{x}f_{i}(\nabla_{x}f_{j})\\}<0.$ In this case the map $F\colon\Omega\to\mathbb{R}^{\ell+1},\ \ F\colon x\mapsto(f_{0}(x),f_{1}(x),\dots,f_{\ell}(x))$ is called _tight_. A point $x\in\Omega$ is called a _critical point_ of $F$ if $\min_{i}\\{d_{x}f_{i}\\}\leqslant 0$, otherwise the point $x$ is called _regular_. ###### 8.1.2. Main example. If $A\in\text{{\nnn Alex}}^{m}(\kappa)$ and $a_{0},a_{1},\dots,a_{\ell},p\in A$ such that $\tilde{\measuredangle}_{\kappa}a_{i}pa_{j}>\tfrac{\pi}{2}\ \ \text{for all}\ \ i\not=j$ then the map $x\mapsto(|a_{0}x|,|a_{1}x|,\dots,|a_{\ell}x|)$ is tight in a neighborhood of $p$. The inequality in the definition follows from inequality $(**)$ on page 1.3 and a subsequent to it example (ii). This example can be made slightly more general. Let $f_{0},f_{1},...,f_{\ell}$ be a collection of simple functions $f_{i}=\Theta_{i}(\operatorname{dist}_{a_{1,i}}^{2},\operatorname{dist}_{a_{2,i}x}^{2},\dots,\operatorname{dist}_{a_{n_{i},i}x}^{2})$ and the sets of points $K_{i}=\\{a_{k,i}\\}$ satisfy the following inequality $\tilde{\measuredangle}_{\kappa}xpy>\tfrac{\pi}{2}\ \ \text{for any}\ \ x\in K_{i},\ \ y\in K_{j},\ \ i\not=j.$ Then the map $x\mapsto(f_{0}(x),f_{1}(x),...,f_{\ell}(x))$ is tight in a neighborhood of $p$. We will call such a map a _simple tight map_. Yet further generalization is given in the property 1 below. The maps described in this example have an important property, they are liftable and their lifts are tight. Namely, given a converging sequence $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$ and a simple tight map $F\colon A\to\mathbb{R}^{\ell+1}$ around $p\in A$, the construction in section 6 gives simple tight maps $F_{n}\colon A_{n}\to\mathbb{R}^{\ell}$ for large $n$, $F_{n}\to F$. I was unable to prove that tightness is a stable property in a sense formulated in the question below. It is not really important for the theory since all maps which appear naturally are simple (or, in the worst case they are as in the generalization and as in the property 1). However, for the beauty of the theory it would be nice to have a positive answer to the following question. ###### 8.1.3. Question. Assume $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $f,g\colon A\to\mathbb{R}$ is a tight collection around $p$ and $f_{n},g_{n}\colon A_{n}\to\mathbb{R}$, $f_{n}\to f$, $g_{n}\to g$ are two sequences of $\lambda$-concave functions and $A_{n}\ni p_{n}\to p\in A$. Is it true that for all large $n$, the collection $f_{n},g_{n}$ must be tight around $p_{n}$? If not, can one modify the definition of tightness so that 1. (i) it would be stable in the above sense, 2. (ii) the definition would make sense for all semiconcave functions 3. (iii) the maps described in the main example above are tight? Let us list some properties of tight maps with sketches of proofs: 1. 1. Let $x\mapsto(f_{0}(x),f_{1}(x),...,f_{\ell}(x))$ be a tight map in an open subset $\Omega\subset A$, then there is $\varepsilon>0$ such that if $g_{0},g_{1},...,g_{n}$ is a collection of $\epsilon$-Lipschitz semiconcave functions in $\Omega$ then the map $x\mapsto(f_{0}(x)+g_{0}(x),f_{1}(x)+g_{1}(x),...,f_{\ell}(x)+g_{\ell}(x))$ is also tight in $\Omega$. 2. 2. The set of regular points of a tight map is open. Indeed, let $x\in\Omega$ be a regular point of tight map $F=(f_{0},f_{1},\dots,f_{\ell})$. Take real $\lambda$ so that all $f_{i}$ are $\lambda$-concave in a neighborhood of $x$. Take a point $p$ sufficiently close to $x$ such that $d_{x}f_{i}(\uparrow_{x}^{p})>0$ and moreover $f_{i}(p)-f_{i}(x)>\tfrac{\lambda}{2}{\cdot}|xp|^{2}$ for each $i$. Then, from $\lambda$-concavity of $f_{i}$, there is a small neighborhood $\Omega_{x}\ni x$ such that for any $y\in\Omega_{x}$ and $i$ we have $d_{y}f_{i}(\uparrow_{y}^{p})\geqslant\varepsilon$ for some fixed $\varepsilon>0$. 3. 3. If one removes one function from a tight collection (in $\Omega$) then (for the corresponding map) all points of $\Omega$ become regular. In other words, the projection of a tight map $F$ to any coordinate hyperplane is a tight map with all regular points (in $\Omega$). This follows from the property 3 on page 3 applied to the flow for the removed $f_{i}$. 4. 4. The converse also holds, i.e. if $F$ is regular at $x$ then one can find a semiconcave function $g$ such that map $z\mapsto(F(z),g(z))$ is tight in a neighborhood of $x$. Moreover, $g$ can be chosen to have an arbitrary controlled concavity type. Indeed, one can take $g=\operatorname{dist}_{p}$, where $p$ as in the property 2. Then we have $d_{x}g(v)=-\max_{\xi\in\Uparrow_{x}^{p}}\\{\langle\xi,v\rangle\\}$ and therefore $d_{x}g(\nabla_{x}f_{i})=-\max_{\xi\in\Uparrow_{x}^{p}}\\{\langle\xi,\nabla_{x}f_{i}\rangle\\}\leqslant-\max_{\xi\in\Uparrow_{x}^{p}}\\{d_{x}f(\xi)\\}\leqslant-\varepsilon.$ On the other hand, from inequality $(**)$ on page 1.3 and example (ii) subsequent to it, we have $d_{x}f_{i}(\nabla_{x}g)+\min_{\xi\in\Uparrow_{x}^{p}}\\{d_{x}f_{i}(\xi)\\}\leqslant 0.$ The last statement follows from the construction in theorem 7.1.1. 5. 5. A tight map is open and even _co-Lipschitz_ 454545A map $F\colon X\to Y$ between metric spaces is called $L$-co-Lipschitz in $\Omega\subset X$ if for any ball $B_{r}(x)\subset\Omega$ we have $F(B_{r}(x))\supset B_{r/L}(F(x))$ in $Y$ in a neighborhood of any regular point. This follows from lemma 8.1.4. 6. 6. Let $A\in\text{{\nnn Alex}}$, $\Omega\subset A$ be an open subset. If $F\colon\Omega\to\mathbb{R}^{\ell+1}$ is tight then $\ell\leqslant\operatorname{dim}A$. Follows from the properties 3 and 5. 7. 7. Morse lemma. A tight map admits a local splitting in a neighborhood of its regular point, and a proper everywhere regular tight map is a locally trivial fiber bundle. Namely 1. (i) If $F\colon\Omega\to\mathbb{R}^{\ell+1}$ is a tight map and $p\in\Omega$ is a regular point, then there is a neighborhood $\Omega\supset\Omega_{p}\ni p$ and homeomorphism $h\colon\Upsilon\times F(\Omega_{p})\to\Omega_{p},$ such that $F\circ h$ coincides with the projection to the second coordinate $\Upsilon\times F(\Omega_{p})\to F(\Omega_{p})$. 2. (ii) If $F\colon\Omega\to\Delta\subset\mathbb{R}^{\ell+1}$ is a proper tight map and all points in $\Delta\subset\nobreak\mathbb{R}^{\ell+1}$ are regular values of $F$, then $F$ is a locally trivial fiber bundle. The proof is a backward induction on $\ell$, see [Perelman 1993, 1.4], [Perelman 1991, 1.4.1] or [Kapovitch 2007, 6.7]. The following lemma is an analog of lemmas [Perelman 1993, 2.3] and [Perelman- DC, 2.2]. ###### 8.1.4. Lemma. Let $x$ be a regular point of a tight map $F\colon x\mapsto(f_{0}(x),f_{1}(x),\dots,f_{\ell}(x)).$ Then there is $\varepsilon>0$ and a neighborhood $\Omega_{x}\ni x$ such that for any $y\in\Omega_{x}$ and $i\in\\{0,1,\dots,\ell\\}$ there is a unit vector $w_{i}\in\Sigma_{x}$ such that $d_{x}f_{i}(w_{i})\geqslant\varepsilon$ and $d_{x}f_{j}(w_{i})=0$ for all $j\not=i$. Moreover, if $E\subset A$ is an extremal subset and $y\in E$ then $w_{i}$ can be chosen in $\Sigma_{y}E$. Proof. Take $p$ as in the property 2 page 2. Then we can find a neighborhood $\Omega_{x}\ni x$ and $\varepsilon>0$ so that for any $y\in\Omega_{x}$ 1. (i) $d_{y}f_{i}(\uparrow_{y}^{p})>\varepsilon$ for each $i$; 2. (ii) $-d_{y}f_{i}(\nabla_{y}f_{j})>\varepsilon.$ for all $i\not=j$. Note that if $\alpha(t)$ is an $f_{i}$-gradient curve in $\Omega_{x}$ then $(f_{i}\circ\alpha)^{+}>0\ \ \text{and}\ \ (f_{j}\circ\alpha)^{+}\leqslant-\varepsilon\ \ \text{for any}\ \ j\not=i.$ Applying lemma 2.1.5 for $(s{\cdot}A,y)\buildrel\mathrm{GH}\over{\longrightarrow}T_{y}$, $s\cdot[f_{i}-f_{i}(y)]\to d_{y}f_{i}$, we get the same inequalities for $d_{y}f_{i}$-gradient curves on $T_{y}$, i.e. if $\beta(t)$ is an $d_{y}f_{i}$-gradient curve in $T_{y}$ then $(d_{y}f_{i}\circ\beta)^{+}>0\ \ \text{and}\ \ (d_{y}f_{j}\circ\beta)^{+}\leqslant-\varepsilon\ \ \text{for any}\ \ j\not=i.$ Moreover, $d_{y}f_{i}(v)>0$ implies $\langle\nabla_{v}(d_{y}f_{i}),\uparrow_{v}^{o}\rangle<0$, therefore in this case $|\beta(t)|^{+}>\nobreak 0$. Take $w_{0}\in T_{y}$ to be a maximum point for $d_{y}f_{0}$ on the set $\\{v\in T_{y}|f_{i}(v)\geqslant 0,|v|\leqslant 1\\}.$ Then $d_{y}f_{0}(w_{0})\geqslant d_{y}f_{0}(\uparrow_{y}^{p})>\varepsilon.$ Assume for some $j\not=0$ we have $f_{j}(w_{0})>0$. Then $\min_{i\not=j}\\{d_{w_{0}}d_{y}f_{i},d_{w_{0}}\nu\\}\leqslant 0,$ where the function $\nu$ is defined by $\nu\colon v\mapsto-|v|$; this is a concave function on $T_{y}$. Therefore, if $\beta_{j}(t)$ is a $d_{y}f_{j}$-gradient curve with an end464646it does exist by property 3 on page 3 point at $w_{0}$, then moving along $\beta_{j}$ from $w_{0}$ backwards decreases only $d_{y}f_{j}$, and increases the other $d_{y}f_{i}$ and $\nu$ in the first order; this is a contradiction. To prove the last statement it is enough to show that $w_{0}\in T_{y}E$, which follows since $T_{y}E\subset T_{y}$ is an extremal subset (see property 2 on page 2). ∎ ###### 8.1.5. Main theorem. Let $A\in\text{{\nnn Alex}}^{m}(\kappa)$, $\Omega\subset A$ be the interior of a compact convex subset, and $F\colon\Omega\to\mathbb{R}^{\ell+1},\ \ F\colon x\mapsto(f_{0}(x),f_{1}(x),\dots,f_{\ell}(x))$ be a tight map. Assume all $f_{i}$ are strictly concave. Then 1. (i) the set of critical points of $F$ in $\Omega$ forms an $\ell$-submanifold $M$ 2. (ii) $F\colon M\to\mathbb{R}^{\ell+1}$ is an embedding. 3. (iii) $F(M)\subset\mathbb{R}^{\ell+1}$ is a convex hypersurface which lies in the boundary of $F(\Omega)$474747In fact $F(M)=\partial F(\Omega)\cap F(\Omega)$.. ###### 8.1.6. Remark. The condition that all $f_{i}$ are strictly concave seems to be very restrictive, but that is not really so; if $x$ is a regular point of a tight map $F$ then, using properties 1 and 4 on page 1, one can find $\varepsilon>0$ and $g$ such that $F^{\prime}\colon y\mapsto(f_{0}(y)+\varepsilon g(y),\dots,f_{\ell}(y)+\varepsilon g(y),g(y))$ is tight in a small neighborhood of $x$ and all its coordinate functions are strictly concave. In particular, in a neighborhood of $x$ we have $F=L\circ F^{\prime}$ where $L\colon\mathbb{R}^{\ell+2}\to\mathbb{R}^{\ell+1}$ is linear. ###### 8.1.7. Corollary. In the assumptions of theorem 8.1.5, if in addition $m=\ell$ then $M=\Omega$, $F(\Omega)$ is a convex hypersurface in $\mathbb{R}^{m+1}$ and $F\colon\Omega\to\mathbb{R}^{m+1}$ is a locally bi-Lipschitz embedding. Moreover, each projection of $F$ to a coordinate hyperplane is a locally bi- Lipschitz homeomorphism. Proof of theorem 8.1.5. Let $\gamma\colon[0,s]\to A$ be a minimal unit-speed geodesic connecting $x,y\in\Omega$, so $s=|xy|$. Consider a straight segment $\bar{\gamma}$ connecting $F(x)$ and $F(y)$: $\bar{\gamma}\colon[0,s]\to\mathbb{R}^{\ell+1},\ \ \bar{\gamma}(t)=F(x)+\tfrac{t}{s}\cdot\left[F(y)-F(x)\right].$ Each function $f_{i}\circ\gamma$ is concave, therefore all coordinates of $F\circ\gamma(t)-\bar{\gamma}(t)$ are non-negative. This implies that the Minkowski sum484848equivalently $Q=\\{(x_{0},x_{1},\dots,x_{\ell})\in\mathbb{R}^{\ell+1}|\exists(y_{0},y_{1},\dots,y_{\ell})\in F(\Omega)\forall i\ x_{i}\leqslant y_{i}\\}$. $Q=F(\Omega)+(\mathbb{R}_{-})^{\ell+1}$ is a convex set. Let $x_{0}\in\Omega$ be a critical point of $F$. Since $\min_{i}\\{d_{x_{0}}f_{i}\\}\leqslant 0$, at least one of coordinates of $F(x)$ is smaller than the corresponding coordinate of $F(x_{0})$ for any $x\in\Omega$. In particular, $F$ sends its critical point to the boundary of $Q$. Consider map $G\colon\mathbb{R}^{\ell+1}\to A,\ \ G\colon(y_{0},y_{1},\dots,y_{\ell})\mapsto\operatorname{argmax}\\{\min_{i}\\{f_{i}-y_{i}\\}\\}$ where $\operatorname{argmax}\\{f\\}$ denotes a maximum point of $f$. The function $\min_{i}\\{f_{i}-y_{i}\\}$ is strictly concave; therefore $\operatorname{argmax}\\{\min_{i}\\{f_{i}-y_{i}\\}\\}$ is uniquely defined and $G$ is continuous in the domain of definition.494949We do not need it, but clearly $G(y_{0},y_{1},\dots,y_{\ell})=G(y_{0}+h,y_{1}+h,\dots,y_{\ell}+h)$ for any $h\in\mathbb{R}$. The image of $G$ coincides with the set of critical points of $F$ and moreover $G\circ F|_{M}=\operatorname{id}_{M}$. Therefore $F|_{M}$ is a homeomorphism505050In general, $G$ is not Lipschitz (even on $F(M)$); even in the case when all functions $f_{i}$ are $(-1)$-concave it is only possible to prove that $G$ is Hölder continuous of class $C^{0;\frac{1}{2}}$. (In fact the statement in [Perelman 1991], page 20, lines 23–25 is wrong but the proposition 3.5 is still OK.). ∎ Proof of corollary 8.1.7. It only remains to show that $F$ is locally bi- Lipschitz. Note that for any point $x\in\Omega$, one can find $\varepsilon>0$ and a neighborhood $\Omega_{x}\ni x$, so that for any direction $\xi\in\Sigma_{y}$, $y\in\Omega_{x}$ one can choose $f_{i}$, $i\in\nobreak\\{0,1,\dots,m\\}$, such that $d_{x}f_{i}(\xi)\leqslant-\varepsilon$. Otherwise, by a slight perturbation515151as in the property 1 on page 1 of collection $\\{f_{i}\\}$ we get a map $F\colon A^{m}\to\mathbb{R}^{m+1}$ regular at $y$, which contradicts property 5. Therefore applying it for $\xi=\uparrow_{z}^{y}$ and $\uparrow_{y}^{z}$, $z,y\in\Omega$, we get two values $i,j$ such that $f_{i}(y)-f_{i}(z)\geqslant\varepsilon{\cdot}|yz|\ \ \text{and}\ \ f_{j}(z)-f_{j}(y)\geqslant\varepsilon{\cdot}|yz|.$ Therefore $F$ is bi-Lipschits. Clearly $i\not=j$ and therefore at least one of them is not zero. Hence the projection map $F^{\prime}\colon x\mapsto(f_{1}(x),\dots,f_{m}(x))$ is also locally bi-Lipschitz. ∎ ### 8.2 Applications. One series of applications of tight maps is Morse theory for Alexandrov’s spaces, it is based on the main theorem 8.1.5. It includes Morse lemma (property 7 page 7) and 1. $\diamond$ Local structure theorem [Perelman 1993]. Any small spherical neighborhood of a point in an Alexandrov’s space is homeomorphic to a cone over its boundary. 2. $\diamond$ Stability theorem [Perelman 1991]. For any compact $A\in\text{{\nnn Alex}}^{m}(\kappa)$ there is $\varepsilon>0$ such that if $A^{\prime}\in\text{{\nnn Alex}}^{m}(\kappa)$ is $\varepsilon$-close to $A$ then $A$ and $A^{\prime}$ are homeomorphic. The other series is the regularity results on an Alexandrov’s space. These results obtained in [Perelman-DC] are improvements of earlier results in [Otsu–Shioya], [Otsu]. It use mainly the corollary 8.1.7 and the smoothing trick; see subsection 6.2. 1. $\diamond$ Components of metric tensor of an Alexandrov’s space in a chart are continuous at each regular point525252i.e. at each point with Euclidean tangent space. Moreover they have bounded variation and are differentiable almost everywhere. 2. $\diamond$ The Christoffel symbols in a chart are well defined as signed Radon measures. 3. $\diamond$ Hessian of a semiconcave function on an Alexandrov’s space is defined almost everywhere. I.e. if $f\colon\Omega\to\mathbb{R}$ is a semiconcave function, then for almost any $x_{0}\in\Omega$ there is a symmetric bi-linear form $\operatorname{Hess}_{f}$ such that $f(x)=f(x_{0})+d_{x_{0}}f(v)+\operatorname{Hess}_{f}(v,v)+o(|v|^{2}),$ where $v=\log_{x_{0}}x$. Moreover, $\operatorname{Hess}_{f}$ can be calculated using standard formulas in the above chart. Here is yet another, completely Riemannian application. This statement has been proven by Perelman, a sketch of its proof is included in an appendix to [Petrunin 2003]. The proof is based on the following observation: if $\Omega$ is an open subset of a Riemannian manifold and $F\colon\Omega\to\mathbb{R}^{\ell+1}$ is a tight map with strictly concave coordinate functions, then its level sets $F^{-1}(x)$ inherit the lower curvature bound. 1. $\diamond$ _Continuity of the integral of scalar curvature._ Given a compact Riemannian manifold $M$, let us define $\mathcal{F}(M)=\int_{M}\operatorname{Sc}$. Then $\mathcal{F}$ is continuous on the space of Riemannian $m$-dimensional manifolds with uniform lower curvature and upper diameter bounds.535353In fact $\mathcal{F}$ is also bounded on the set of Riemannian $m$-dimensional manifolds with uniform lower curvature, this is proved in [Petrunin 2007] by a similar method. ## 9 Please deform an Alexandrov’s space. In this section we discuss a number of related open problems. They seem to be very hard, but I think it is worth to write them down just to indicate the border between known and unknown things. The main problem in Alexandrov’s geometry is to find a way to vary Alexandrov’s space, or simply to find a nearby Alexandrov’s space to a given Alexandrov’s space. Lack of such variation procedure makes it impossible to use Alexandrov’s geometry in the way it was designed to be used: For example, assume you want to solve the Hopf conjecture545454i.e. you want to find out if $S^{2}\times S^{2}$ carries a metric with positive sectional curvature.. Assume it is wrong, then there is a volume maximizing Alexandrov’s metrics $d$ on $S^{2}\times S^{2}$ with curvature $\geqslant 1$555555There is no reason to believe that this metric $d$ is Riemannian, but from Gromov’s compactness theorem such Alexandrov’s metric should exist.. Provided we have a procedure to vary $d$ while keeping its curvature $\geqslant 1$, we could find some special properties of $d$ and in ideal situation show that $d$ does not exist. Unfortunately, at the moment, except for boring rescaling, there is no variation procedure available. The following conjecture (if true) would give such a procedure. Although it will not be sufficient to solve the Hopf conjecture, it will give some nontrivial information about the critical Alexandrov’s metric. ###### 9.1.1. Conjecture. The boundary of an Alexandrov’s space equipped with induced intrinsic metric is an Alexandrov’s space with the same lower curvature bound. This also can be reformulated as: 9.1.1${}^{\prime}\mskip-3.0mu\mskip-3.0mu\mskip-3.0mu$. Conjecture. Let $A$ be an Alexandrov space without boundary. Then a convex hypersurface in $A$ equipped with induced intrinsic metric is an Alexandrov’s space with the same lower curvature bound. This conjecture, if true, would give a variation procedure. For example if $A$ is a non-negatively curved Alexandrov’s space and $f\colon A\to\mathbb{R}$ is concave (so $A$ is necessarily open) then for any $t$ the graph $A_{t}=\\{(x,t{\cdot}f(x))\in A\times\mathbb{R}\\}$ with induced intrinsic metric would be an Alexandrov’s space. Clearly $A_{t}\buildrel\mathrm{GH}\over{\longrightarrow}A$ as $t\to 0$. An analogous construction exists for semiconcave functions on closed manifolds, but one has to take a _parabolic cone_ 565656see footnote 24 on page 24 instead of the product. It seems to be hopeless to attack this problem with purely synthetic methods. In fact, so far, even for a convex hypersurface in a Riemannian manifold, there is only one proof available (see [Buyalo]) which uses smoothing and the Gauss formula575757In fact in this paper the curvature bound is not optimal, but the statement follows from nearly the same idea; see [AKP].. There is one beautiful synthetic proof (see [Milka 1979]) for a convex surface in the Euclidian space, but this proof heavily relies on Euclidean structure and it seems impossible to generalize it even to the Riemannian case. There is a chance of attacking this problem by proving a type of the Gauss formula for Alexandrov’s spaces. One has to start with defining a curvature tensor of Alexandrov’s spaces (it should be a measure-valued tensor field), then prove that the constructed tensor is really responsible for the geometry of the space. Such things were already done in the two-dimensional case and for spaces with bilaterly bounded curvature, see [Reshetnyak] and [Nikolaev] respectively. So far the best results in this direction are given in [Perelman-DC], see also section 8.2 for more details. This approach, if works, would give something really new in the area. Almost everything that is known so far about the intrinsic metric of a boundary is also known for the intrinsic metric of a general extremal subset. In [Perelman–Petrunin 1993], it was conjectured that an analog of conjecture 9.1.1 is true for any _primitive extremal subset_ , but it turned out to be wrong; a simple example was constructed in [Petrunin 1997]. All such examples appear when codimension of extremal subset is $\geqslant 3$. So it still might be true that ###### 9.1.2. Conjecture. Let $A\in\text{{\nnn Alex}}(\kappa)$, $E\subset A$ be a primitive extremal subset and $\operatorname{codim}E=2$ then $E$ equipped with induced intrinsic metric belongs to $\text{{\nnn Alex}}(\kappa)$ The following question is closely related to conjecture 9.1.1. ###### 9.1.3. Question. Assume $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $\operatorname{dim}A=m$ (i.e. it is not a collapse). Let $f$ be a $\lambda$-concave function of an Alexandrov’s space $A$. Is it always possible to find a sequence of $\lambda$-concave functions $f_{n}\colon A_{n}\to\mathbb{R}$ which converges to $f\colon A\to\mathbb{R}$? Here is an equivalent formulation: 9.1.3.′ Question. Assume $A_{n}\buildrel\mathrm{GH}\over{\longrightarrow}A$, $A_{n}\in\text{{\nnn Alex}}^{m}(\kappa)$, $\operatorname{dim}A=m$ (i.e. it is not a collapse) and $\partial A=\varnothing$. Let $S\subset A$ be a convex hypersurface. Is it always possible to find a sequence of convex hypersurfaces $S_{n}\subset A_{n}$ which converges to $S$? If true, this would give a proof of conjecture 9.1.1 for the case of a _smoothable Alexandrov’s space_ (see page 7.3.1). In most of (possible) applications, Alexandrov’s spaces appear as limits of Riemannian manifolds of the same dimension. Therefore, even in this reduced generality, a positive answer would mean enough. The question of whether an Alexandrov space is smoothable is also far from being solved. From Perelamn’s stability theorem, if an Alexandrov’s space has topological singularities then it is not smoothable. Moreover, from [Kapovitch 2002] one has that any space of directions of a smoothable Alexandrov’s space is homeomorphic to the sphere. Except for the 2-dimensional case, it is only known that any polyhedral metric of non-negative curvature on a 3-manifold is smoothable (see [Matveev–Shevchishin]). There is yet no procedure of smoothing an Alexandrov’s space even in a neighborhood of a regular point. Maybe a more interesting question is whether smoothing is unique up to a diffeomorphism. If the answer is positive it would imply in particular that any Riemannian manifold with curvature $\geqslant 1$ and $\operatorname{diam}>\tfrac{\pi}{2}$ is diffeomorphic(!) to the standard sphere, see [Grove–Wilhelm] for details. Again, from Perelman’s stability theorem ([Perelman 1991]), it follows that any two smoothings must be homeomorphic. In fact it seems likely that any two smoothings are PL- homeomorphic; see [Kapovitch 2007, question 1.3] and discussion right before it. It seems that today there is no technique which might approach the general uniqueness problem (so maybe one should try to construct a counterexample). One may also ask similar questions in the collapsing case. In [PWZ] there were constructed Alexandrov’s spaces with curvature $\geqslant 1$ which can not be presented as a limit of an (even collapsing) sequence of Riemannian manifolds with curvature $\geqslant\kappa>\tfrac{1}{4}$. In [Kapovitch 2005] there were found some lower bounds for codimension of collapse with arbitrary lower curvature bound to some special Alexandrov’s spaces, see section 7.3 for more discussion. It is expected that the same spaces (for example, the spherical suspension over the Cayley plane) can not be approximated by sequence of Riemannian manifolds of any fixed dimension and any fixed lower curvature bound, but so far this question remains open. ## Appendix A Existence of quasigeodesics This appendix is devoted to the proof of property 4 on page 4, i.e. ###### A.0.1. Existence theorem. Let $A\in\text{{\nnn Alex}}^{m}$, then for any point $x\in A$, and any direction $\xi\in\Sigma_{x}$ there is a quasigeodesic $\gamma\colon\mathbb{R}\to A$ such that $\gamma(0)=x$ and $\gamma^{+}(0)=\xi$. Moreover if $E\subset A$ is an extremal subset and $x\in E$, $\xi\in\Sigma_{x}E$ then $\gamma$ can be chosen to lie completely in $E$. The proof is quite long; it was obtained by Perelman around 1992; here we present a simplified proof similar to [Perelman–Petrunin QG] which is based on the gradient flow technique. We include a complete proof here, since otherwise it would never be published. Quasigeodesics will be constructed in three big steps. A.1 Monotonic curves $\longrightarrow$ convex curves. A.2 Convex curves $\longrightarrow$ pre-quasigeodesics. A.3 Pre-quasigeodesics $\longrightarrow$ quasigeodesics. In each step, we construct a better type of curves from a given type of curves by an extending-and-chopping procedure and then passing to a limit. The last part is most complicated. The second part of the theorem is proved in the subsection A.4. ### A.0 Step 0: Monotonic curves As a starting point we use radial curves, which do exist for any initial data (see section 3), and by lemma 3.1.2 are monotonic in the sense of the following definition: ###### A.0.1. Definition. A curve $\alpha(t)$ in an Alexandrov’s space $A$ is called _monotonic_ with respect to a parameter value $t_{0}$ if for any $\lambda$-concave function $f$, $\lambda\geqslant 0$, we have that function $t\mapsto\frac{f\circ\alpha(t+t_{0})-f\circ\alpha(t_{0})-\tfrac{\lambda}{2}{\cdot}t^{2}}{t}$ is non-increasing for $t>0$. Here is a construction which gives a new monotonic curve out of two. It will be used in the next section to construct _convex curves_. ###### A.0.2. Extention. Let $A\in\text{{\nnn Alex}}$, $\alpha_{1}[a,\infty)\to A$ and $\alpha_{2}\colon[b,\infty)\to A$ be two monotonic curves with respect to $a$ and $b$ respectively. Assume $a\leqslant b,\ \ \alpha_{1}(b)=\alpha_{2}(b)\ \ \text{and}\ \ \alpha^{+}_{1}(b)=\alpha^{+}_{2}(b).$ Then its joint $\beta\colon[a,\infty)\to A,\ \ \beta(t)=\left[\begin{matrix}\alpha_{1}(t)&\text{if}&t<b\\\ \alpha_{2}(t)&\text{if}&t\geqslant b\end{matrix}\right.$ is monotonic with respect to $a$ and $b$. Proof. It is enough to show that $t\mapsto\frac{f\circ\alpha_{2}(t+a)-f\circ\alpha_{1}(a)-\tfrac{\lambda}{2}{\cdot}t^{2}}{t}$ is non-increasing for $t\geqslant b-a$. By simple algebra, it follows from the following two facts: 1. $\diamond$ $\alpha_{2}$ is monotonic and therefore $t\mapsto\frac{f\circ\alpha_{2}(t+b)-f\circ\alpha_{2}(b)-\tfrac{\lambda}{2}{\cdot}t^{2}}{t}$ is non-increasing for $t>0$. 2. $\diamond$ From monotonicity of $\alpha_{1}$, $\displaystyle(f\circ\alpha_{2})^{+}(b)$ $\displaystyle=d_{\alpha_{1}(b)}f(\alpha_{1}^{+}(b))=$ $\displaystyle=(f\circ\alpha_{1})^{+}(b)\leqslant$ $\displaystyle\leqslant\frac{f\circ\alpha_{1}(b)+f\circ\alpha_{1}(a)-\tfrac{\lambda}{2}(b-a)^{2}}{b-a}.$ ∎ ### A.1 Step 1: Convex curves. In this step we construct _convex curves_ with arbitrary initial data. ###### A.1.1. Definition. A curve $\beta\colon[0,\infty)\to A$ is called _convex_ if for any $\lambda$-concave function $f$, $\lambda\geqslant 0$, we have that function $t\mapsto f\circ\beta(t)-\tfrac{\lambda}{2}{\cdot}t^{2}$ is concave. Properties of convex curves. Convex curves have the following properties; the proofs are either trivial or the same as for quasigeodesics: 1. 1. A curve is convex if and only if it is monotonic with respect to any value of parameter. 2. 2. Convex curves are $1$-Lipschitz. 3. 3. Convex curves have uniquely defined right and left tangent vectors. 4. 4. A limit of convex curves is convex and the natural parameter converges to the natural parmeter of the limit curves (the proof the last statement is based on the same idea as theorem 7.3.3). The next is a construction similar to A.0.2 which gives a new convex curve out of two. It will be used in the next section to construct _pre-quasigeodesics_. ###### A.1.2. Extention. Let $A\in\text{{\nnn Alex}}$, $\beta_{1}\colon[a,\infty)\to A$ and $\beta_{2}\colon[b,\infty)\to A$ be two convex curves. Assume $a\leqslant b,\ \ \beta_{1}(b)=\beta_{2}(b)\ \ \text{and}\ \ \beta^{+}_{1}(b)=\beta^{+}_{2}(b)$ then its joint $\gamma\colon[a,\infty)\to A,\ \ \gamma(t)=\left[\begin{matrix}\beta_{1}(t)&\text{if}&t\leqslant b\\\ \beta_{2}(t)&\text{if}&t\geqslant b\end{matrix}\right.$ is a convex curve. Proof. Follows immidetely from A.0.2 and property 1 above. ###### A.1.3. Existence. Let $A\in\text{{\nnn Alex}}$, $x\in A$ and $\xi\in\Sigma_{x}$. Then there is a convex curve $\beta_{\xi}\colon[0,\infty)\to A$ such that $\beta_{\xi}(0)=x$ and $\beta_{\xi}^{+}(0)=\xi$. Proof. For $v\in T_{x}A$, consider the radial curve $\alpha_{v}(t)=\operatorname{gexp}_{x}(tv)$ According to lemma 3.1.2 if $|v|=1$ then $\alpha_{v}$ is $1$-Lipschitz and monotonic. Moreover, straightforward calculations show that the same is true for $|v|\leqslant 1$. Fix $\varepsilon>0$. Given a direction $\xi\in\Sigma_{x}$, let us consider the following recursively defined sequence of radial curves $\alpha_{v_{n}}(t)$ such that $v_{0}=\xi$ and $v_{n}=\alpha^{+}_{v_{n-1}}(\varepsilon)$. Then consider their joint $\beta_{\xi,\varepsilon}(t)=\alpha_{v_{\lfloor t/\varepsilon\rfloor}}(t-\varepsilon\lfloor t/\varepsilon\rfloor).$ Applying an extension procedure A.0.2 we get that $\beta_{\xi,\varepsilon}\colon[0,\infty)\to A$ is monotonic with respect to any $t=n{\cdot}\varepsilon$. By property 1 on page 1, passing to a partial limit $\beta_{\xi,\varepsilon}\to\beta_{\xi}$ as $\varepsilon\to 0$ we get a convex curve $\beta_{\xi}\colon[0,\infty)\to A$. It only remains to show that $\beta_{\xi}^{+}(0)=\xi$. Since $\beta_{\xi}$ is convex, its right tangent vector is well defined and $|\beta^{+}_{\xi}(0)|\leqslant\nobreak 1$585858see properties 3 and 2, page 3. On the other hand, since $\beta_{\xi,\varepsilon}$ are monotonic with respect to $0$, for any semiconcave function $f$ we have $\displaystyle d_{x}f(\beta^{+}_{\xi}(0))$ $\displaystyle=(f\circ\beta_{\xi})^{+}(0)\leqslant$ $\displaystyle\leqslant\lim_{\varepsilon_{i}\to 0}(f\circ\beta_{\xi,\varepsilon})^{+}(0)=$ $\displaystyle=d_{x}f(\xi).$ Substituting in this inequality $f=\operatorname{dist}_{y}$ with $\measuredangle(\uparrow_{x}^{y},\xi)<\varepsilon$, we get $\langle\beta^{+}_{\xi}(0),\uparrow_{x}^{y}\rangle>1-\varepsilon$ for any $\varepsilon>0$. Together with $|\beta^{+}_{\xi}(0)|\leqslant 1$ (property 2 on page 2), it implies that $\beta^{+}(0)=\xi.$ ∎ ### A.2 Step 2: Pre-quasigeodesics In this step we construct a _pre-quasigeodesic_ with arbitrary initial data. ###### A.2.1. Definition. A convex curve $\gamma\colon[a,b)\rightarrow A$ is called a pre- quasigeodesic if for any $s\in[a,b)$ such that ${|\gamma^{+}(s)|}>0$, the curve $\gamma^{s}$ defined by $\gamma^{s}(t)=\gamma\left(s+\frac{t}{|\gamma^{+}(s)|}\right)$ is convex for $t\geqslant 0$, and if ${|\gamma^{+}(s)|}=0$ then $\gamma(t)=\gamma(s)$ for all $t\geqslant s$. Let us first define entropy of pre-quasigeodesic, which measures “how far” a given pre-quasigeodesic is from being a quasigeodesic. ###### A.2.2. Definition. Let $\gamma$ be a pre-quasigeodesic in an Alexandrov’s space. The _entropy_ of $\gamma$, $\mu_{\gamma}$ is the measure on the set of parameters defined by $\mu_{\gamma}((a,b))=\ln|\gamma^{+}(a)|-\ln|\gamma^{-}(b)|.$ Here are its main properties: 1. 1. The entropy of a pre-quasigeodesic $\gamma$ is zero if and only if $\gamma$ is a quasigedesic. 2. 2. For a converging sequence of pre-quasigeodesics $\gamma_{n}\to\gamma$, the entropy of the limit is a weak limit of entropies, $\mu_{\gamma_{n}}\rightharpoonup\mu_{\gamma}$. It follows from property 4 on page 4. The next statement is similar to A.0.2 and A.1.2; it makes a new pre- quasigeodesic out of two. It will be used in the next section to construct _quasigeodesics_. ###### A.2.3. Extention. Let $A\in\text{{\nnn Alex}}$, $\gamma_{1}\colon[a,\infty)\to A$ and $\gamma_{2}\colon[b,\infty)\to A$ be two pre-quasigeodesics. Assume $a\leqslant b,\ \ \gamma_{1}(b)=\gamma_{2}(b),\ \ \gamma^{-}_{1}(b)\ \ \text{is polar to}\ \ \gamma^{+}_{2}(b)\ \ \text{and}\ \ |\gamma^{+}_{2}(b)|\leqslant|\gamma^{-}_{1}(b)|$ then its joint $\gamma\colon[a,\infty)\to A,\ \ \gamma(t)=\left[\begin{matrix}\gamma_{1}(t)&\text{if}&t\leqslant b\\\ \gamma_{2}(t)&\text{if}&t\geqslant b\end{matrix}\right.$ is a pre-quasigeodesic. Moreover, its entropy is defined by $\mu_{\gamma}|_{(a,b)}=\mu_{\gamma_{1}},\ \ \mu_{\gamma}|_{(b,c)}=\mu_{\gamma_{2}}\ \ \text{and}\ \ \mu_{\gamma}(\\{b\\})=\ln|\gamma^{+}(b)|-\ln|\gamma^{-}(b)|.$ Proof. The same as for A.0.2. ∎ ###### A.2.4. Existence. Let $A\in\text{{\nnn Alex}}$, $x\in A$ and $\xi\in\Sigma_{x}$. Then there is a pre-quasigeodesic $\gamma\colon[0,\infty)\to A$ such that $\gamma(0)=x$ and $\gamma^{+}(0)=\xi$. Proof. Let us choose for each point $x\in A$ and each direction $\xi\in\Sigma_{x}$ a convex curve $\beta_{\xi}\colon[0,\infty)\to A$ such that $\beta_{\xi}(0)=x$, $\beta_{\xi}^{+}(0)=\xi$. If $v=r\xi$, then set $\beta_{v}(t)=\beta_{\xi}(rt).$ Clearly $\beta_{v}$ is convex if $0\leqslant r\leqslant 1$. Let us construct a convex curve $\gamma_{\varepsilon}\colon[0,\infty)\rightarrow M$ such that there is a representation of $[0,\infty)$ as a countable union of disjoint half-open intervals $[a_{i},\bar{a}_{i})$, such that $|\bar{a}_{i}-a_{i}|\leqslant\varepsilon$ and for any $t\in[a_{i},\bar{a}_{i})$ we have $|\gamma_{\varepsilon}^{+}(a_{i})|\geqslant|\gamma_{\varepsilon}^{+}(t)|\geqslant(1-\varepsilon)\cdot|\gamma_{\varepsilon}^{+}(a_{i})|.$ $None$ Moreover, for each $i$, the curve $\gamma_{\varepsilon}^{a_{i}}\colon[0,\infty)\to A$, $\gamma_{\varepsilon}^{a_{i}}(t)=\gamma_{\varepsilon}\left({a_{i}}+\frac{t}{|\gamma_{\varepsilon}^{+}({a_{i}})|}\right)$ is also convex. Assume we already can construct $\gamma_{\varepsilon}$ in the interval $[0,t_{\max})$, and cannot do it any further. Since $\gamma_{\varepsilon}$ is 1-Lipschitz, we can extend it continuously to $[0,t_{\max}]$. Use lemma 1.3.9 to construct a vector $v^{*}$ polar to $\gamma^{-}_{\varepsilon}(t_{\max})$ with $|v^{*}|\leqslant|\gamma^{-}_{\varepsilon}(t_{\max})|$. Consider the joint of $\gamma_{\varepsilon}$ with a short half-open segment of $\beta_{v}$, a longer curve with the desired property. This is a contradiction. Let $\gamma$ be a partial limit of $\gamma_{\varepsilon}$ as $\varepsilon\to 0$. From property 4 on page 4, we get that for almost all $t$ we have $|\gamma^{+}(t)|=\lim|\gamma_{\varepsilon_{n}}^{+}(t)|$. Combining this with inequality $(*)$ shows that for any $a\geqslant 0$ $\gamma^{a}(t)=\gamma\left({a}+\frac{t}{|\gamma^{+}({a})|}\right)$ is convex. ∎ ### A.3 Step 3: Quasigeodesics We will construct quasigeodesics in an $m$-dimensional Alexandrov’s space, assuming we already have such a construction in all dimensions $<m$. This construction is much easier for the case of an Alexandrov’s space with only $\delta$-strained points; in this case we construct a sequence of special pre- quasigeodesics only by extending/chopping procedures (see below) and then pass to the limit. In a general Alexandrov’s space we argue by contradiction, we assume that $\Omega$ is a maximal open set such that for any initial data one can construct an $\Omega$-quasigeodesic (i.e. a pre-quasigeodesic with zero entropy on $\Omega$, see A.2.2), and arrive at a contradiction with the assumption $\Omega\not=A$. The following extention and chopping procedures are essential in the construction: ###### A.3.1. Extention procedure. Given a pre-quasigeodesic $\gamma\colon[0,t_{\max})\to A$ we can extend it as a pre-quasigeodesic $\gamma\colon[0,\infty)\to A$ so that $\mu_{\gamma}(\\{t_{\max}\\})=0.$ Proof. Let us set $\gamma(t_{\max})$ to be the limit of $\gamma(t)$ as $t\to t_{\max}$ (it exists since pre-quasigeodesics are Lipschitz). From Milka’s lemma A.3.2, we can construct a vector $\gamma^{+}(t_{\max})$ which is polar to $\gamma^{-}(t_{\max})$ and such that $|\gamma^{+}(t_{\max})|=|\gamma^{-}(t_{\max})|$. Then extend $\gamma$ by a pre-quasigeodesic in the direction $\gamma^{+}(t_{\max})$. By A.2.3, we get $\mu_{\gamma}\\{t_{\max}\\}=\ln|\gamma^{+}(t_{\max})|-\ln|\gamma^{-}(t_{\max})|=0.$ ∎ ###### A.3.2. Milka’s lemma (existence of the polar direction). For any unit vector $\xi\in\Sigma_{p}$ there is a polar unit vector $\xi^{*}$, i.e. $\xi^{*}\in\Sigma_{p}$ such that $\langle\xi,v\rangle+\langle\xi^{*},v\rangle\geqslant 0$ for any $v\in T_{p}$. The proof is taken from [Milka 1968]. That is the only instance where we use existence of quasigeodesics in lower dimensional spaces. Proof. Since $\Sigma_{p}$ is an Alexandrov’s $(m-1)$-space with curvature $\geqslant 1$, given $\xi\in\Sigma_{p}$ we can construct a quasigeodesic in $\Sigma_{p}$ of length $\pi$, starting at $\xi$; the comparison inequality (theorem 5(5iv)) implies that the second endpoint $\xi^{*}$ of this quasigeodesic satisfies $|\xi\,\eta|_{\Sigma_{q}}+|\eta\,\xi^{*}|_{\Sigma_{q}}=\measuredangle(\xi,\eta)+\measuredangle(\eta,\xi^{*})\leq\pi\ \ \text{for all}\ \ \eta\in\Sigma_{p},$ which is equivalent to the statement that $\xi$ and $\xi^{*}$ are polar in $T_{p}$. ∎ ###### A.3.3. Chopping procedure. Given a pre-quasigeodesic $\gamma\colon[0,\infty)\to A$, for any $t\geqslant 0$ and $\varepsilon>0$ there is $\bar{t}>t$ such that $\mu_{\gamma}\left((t,\bar{t})\right)<\varepsilon[\vartheta+\bar{t}-t],\ \ \bar{t}-t<\varepsilon,\ \ \vartheta<\varepsilon,$ where $\vartheta=\vartheta(t,\bar{t})=\measuredangle\left(\gamma^{+}(t),\uparrow_{\gamma(t)}^{\gamma(\bar{t})}\right).$ $\gamma(t)$$\gamma(\bar{t})$$\vartheta$$\gamma$ Proof. For all sufficiently small $\tau>0$ we have $\vartheta(t,t+\tau)<\varepsilon$ and from convexity of $\gamma^{t}$ it follows that $\mu\left((t,t+\tau/3)\right)<C{\cdot}\vartheta^{2}(t,t+\tau).$ The following exercise completes the proof. ∎ ###### A.3.4. Exercise. Let the functions $h,g\colon\mathbb{R}_{+}\to\mathbb{R}_{+}$ be such that for any sufficiently small $s$, $h(s/3)\leqslant g^{2}(s),\ s\leqslant g(s)\ \hbox{and}\ \lim_{s\to 0}g(s)=0.$ Show that for any $\varepsilon>0$ there is $s>0$ such that $h(s)<10{\cdot}g^{2}(s)\ \hbox{and}\ g(s)\leqslant\varepsilon.$ Construction in the $\mathbf{\delta}$-strained case. From the extension procedure, it is sufficient to construct a quasigeodesic $\gamma\colon[0,T)\to A$ with any given initial data $\gamma^{+}(0)=\xi\in\Sigma_{p}$ for some positive $T=T(p)$. The plan: Given $\varepsilon>0$, we first construct a pre-quasigeodesic $\gamma_{\varepsilon}\colon[0,T)\to A,\ \ \ \gamma_{\varepsilon}^{+}(0)=\xi$ such that one can present $[0,T)$ as a countable union of disjoint half-open intervals $[a_{i},\bar{a}_{i})$ with the following property ($\vartheta$ is defined in the chopping procedure A.3.3): $\mu\left([a_{i},\bar{a}_{i})\right)<\varepsilon{\cdot}\vartheta(a_{i},\bar{a}_{i}),\ \ \bar{a}_{i}-a_{i}<\varepsilon,\ \ \vartheta(a_{i},\bar{a}_{i})<\varepsilon.$ $None$ Then we show that the entropies $\mu_{\gamma_{\varepsilon}}([0,T))\to 0$ as $\varepsilon\to 0$ and passing to a partial limit of $\gamma_{\varepsilon}$ as $\varepsilon\to 0$ we get a quasigeodesic. Existence of $\gamma_{\varepsilon}$: Assume that we already can construct $\gamma_{\varepsilon}$ on an interval $[0,t_{\max})$, $t_{\max}<T$ and cannot construct it any further, then applying the extension procedure A.3.1 for $\gamma_{\varepsilon}\colon[0,t_{\max})\to A$ and then chopping it (A.3.3) starting from $t_{\max}$, we get a longer curve with the desired property; that is a contradiction. Vanishing entropy: From $(\star)$ we have that $\mu_{\gamma_{\varepsilon}}([0,T))<\varepsilon\cdot\left[T+\sum_{i}\vartheta(a_{i},\bar{a}_{i})\right].$ Therefore, to show that $\mu_{\gamma_{\varepsilon}}([0,T))\to 0$, it only remains to show that $\sum_{i}\vartheta(a_{i},\bar{a}_{i})$ is bounded above by a constant independent of $\varepsilon$. That will be the only instance, where we apply that $p$ is $\delta$-strained for a small enough $\delta$. It is easy to see that there is $\varepsilon=\varepsilon(\delta)\to 0$ as $\delta\to 0$ and $T=T(p)>0$ such that there is a finite collection of points $\\{q_{k}\\}$ which satisfy the following property: for any $x\in B_{T}(p)$ and $\xi\in\Sigma_{x}$ there is $q_{k}$ such that $\measuredangle(\xi,\uparrow_{x}^{q_{k}})<\varepsilon$. Moreover, we can assume $\operatorname{dist}_{q_{k}}$ is $\lambda$-concave in $B_{T}(p)$ for some $\lambda>0$. Note that for any convex curve $\gamma\colon[0,T)\to B_{T}(p)\subset A$, the measures $\chi_{k}$ on $[0,T)$, defined by $\chi_{k}((a,b))=(\operatorname{dist}_{q_{k}}\circ\gamma)^{-}(b)-(\operatorname{dist}_{q_{k}}\circ\gamma)^{+}(a)+\lambda{\cdot}(b-a),$ are positive and their total mass is bounded by $\lambda T+2$ (this follows from the fact that $\operatorname{dist}_{q_{k}}$ is $\lambda$-concave and 1-Lipschitz). Let $x\in B_{T}(p)$, and $\delta$ be small enough. Then for any two directions $\xi,\nu\in\nobreak\Sigma_{x}$ there is $q_{k}$ which satisfies the following property: $\tfrac{1}{10}{\cdot}\measuredangle_{x}(\xi,\nu)\leqslant d_{x}\operatorname{dist}_{q_{k}}(\xi)-d_{x}\operatorname{dist}_{q_{k}}(\nu)\ \ \ \text{and}\ \ \ d_{x}\operatorname{dist}_{q_{k}}(\nu)\geqslant 0.$ $None$ Substituting in this inequality $\xi=\gamma^{+}(a_{i})/|\gamma^{+}(a_{i})|,\ \ \ \nu=\uparrow_{\gamma(a_{i})}^{\gamma(\bar{a}_{i})},$ and applying lemma A.3.5, we get $\vartheta(a_{i},\bar{a}_{i})=\measuredangle(\xi,\nu)\leqslant 10{\cdot}\sum_{n}\chi_{k}([a_{i},\bar{a}_{i})).$ Therefore $\sum_{i}\vartheta(a_{i},\bar{a}_{i})\leqslant 10{\cdot}N{\cdot}(\lambda T+2),$ where $N$ is the number of points in the collection $\\{q_{k}\\}$. ∎ ###### A.3.5. Lemma. Let $A\in\text{{\nnn Alex}}$, $\gamma\colon[0,t]\to A$ be a convex curve $|\gamma^{+}(0)|=1$ and $f$ be a $\lambda$-concave function, $\lambda\geqslant 0$. Set $p=\gamma(0)$, $q=\gamma(t)$, $\xi=(\gamma)^{+}(0)$ and $\nu=\uparrow_{p}^{q}$. Then $d_{p}f(\xi)-d_{p}f(\nu)\leqslant(f\circ\gamma)^{+}(0)-(f\circ\gamma)^{-}(t)+\lambda{\cdot}t,$ provided that $d_{p}f(\nu)\geqslant 0$. $p$$q$$\xi$$\nu$$\gamma$ Proof. Clearly, $f(q)\leq f(p)+d_{p}f(\nu){\cdot}|pq|+\tfrac{\lambda}{2}{\cdot}|pq|^{2}\leqslant f(p)+d_{p}f(\nu)t+\tfrac{\lambda}{2}{\cdot}t^{2}.$ On the other hand, $f(p)\leqslant f(q)-(f\circ\gamma)^{-}(t){\cdot}t+\tfrac{\lambda}{2}{\cdot}t^{2}.$ Clearly, $d_{p}f(\xi)=(f\circ\gamma)^{+}(0)$, whence the result. ∎ What to do now? We have just finished the proof for the case, where all points of $A$ are $\delta$-strained. From this proof it follows that if we denote by $\Omega_{\delta}$ the subset of all $\delta$-strained points of $A$ (which is an open everywhere dense set, see [BGP, 5.9]), then for any initial data one can construct a pre-quasigeodesic $\gamma$ such that $\mu_{\gamma}(\gamma^{-1}(\Omega_{\delta}))=0$. Assume $A$ has no boundary; set $\mathfrak{C}=A\backslash\Omega_{\delta}$. In this case it seems unlikely that we hit $\mathfrak{C}$ by shooting a pre-quasigeodesic in a generic direction. If we could prove that it almost never happens, then we obtain existence of quasigeodesics in all directions as the limits of quasigeodesics in generic directions (see property 6 on page 6) and passing to doubling in case $\partial A\not=\varnothing$. Unfortunately, we do not have any tools so far to prove such a thing595959It might be possible if we would have an analog of the Liouvile theorem for “pre-quasigeodesic flow”. Instead we generalize inequality $(*)$. ###### A.3.6. The $\mathbf{(*)}$ inequality. Let $A\in\text{{\nnn Alex}}^{m}(\kappa)$ and $\mathfrak{C}\subset A$ be a closed subset. Let $p\in\mathfrak{C}$ be a point with $\delta$-maximal $\operatorname{vol}_{m-1}\Sigma_{p}$, i.e. $\operatorname{vol}_{m-1}\Sigma_{p}+\delta>\inf_{x\in\mathfrak{C}}\\{\operatorname{vol}_{m-1}\Sigma_{p}\\}.$ Then, if $\delta$ is small enough, there is a finite set of points $\\{q_{i}\\}$ and $\varepsilon>0$, such that for any $x\in\mathfrak{C}\cap\bar{B}_{\varepsilon}(p)$ and any pair of directions $\xi\in\Sigma_{x}\mathfrak{C}$606060$\Sigma_{x}\mathfrak{C}$ is defined on page 29. and $\nu\in\Sigma_{x}$ we can choose $q_{i}$ so that $\tfrac{1}{10}{\cdot}\measuredangle_{x}(\xi,\nu)\leqslant d_{x}\operatorname{dist}_{q_{i}}(\xi)-d_{x}\operatorname{dist}_{q_{i}}(\nu)\ \ \ \text{and}\ \ \ d_{x}\operatorname{dist}_{q_{k}}(\nu)\geqslant 0.$ Proof. We can choose $\varepsilon>0$ so small that for any $x\in\bar{B}_{\varepsilon}(p)$, $\Sigma_{x}$ is almost bigger than $\Sigma_{p}$.616161i.e. for small $\delta>0$ there is a map $f\colon\Sigma_{p}\to\Sigma_{x}$ such that $|f(x)f(y)|>|xy|-\delta$. Since $\operatorname{vol}_{m-1}\Sigma_{p}$ is almost maximal we get that for any $x\in\mathfrak{C}\cap\bar{B}_{\varepsilon}(p)$, $\Sigma_{x}$ is almost isometric to $\Sigma_{p}$. In particular, if one takes a set $\\{q_{i}\\}$ so that directions $\uparrow_{p}^{q_{i}}$ form a sufficiently dense set and $\measuredangle q_{i}pq_{j}\approx\tilde{\measuredangle}_{\kappa}q_{i}pq_{j}$, then directions $\uparrow_{x}^{q_{i}}$ will form a sufficiently dense set in $\Sigma_{x}$ for all $x\in\mathfrak{C}\cap\bar{B}_{\varepsilon}(p)$. Note that for any $x\in\mathfrak{C}\cap\bar{B}_{\varepsilon}(p)$ and $\xi\in\Sigma_{x}\mathfrak{C}$, there is an almost isometry $\Sigma_{x}\to\Sigma(\Sigma_{\xi}\Sigma_{x})$ such that $\xi$ goes to north pole of the spherical suspension $\Sigma(\Sigma_{\xi}\Sigma_{x})=\Sigma_{\xi}T_{x}$. 626262Otherwise, taking a point $y\in\mathfrak{C}$, close to $x$ in direction $\xi$ we would get that $\operatorname{vol}_{m-1}\Sigma_{y}$ is essentially bigger than $\operatorname{vol}_{m-1}\Sigma_{x}$, which is impossible since both are almost equal to $\operatorname{vol}_{m-1}\Sigma_{p}$. Using these two properties, we can find $q_{i}$ so that $\uparrow^{\nu}_{\xi}\approx\uparrow_{\xi}^{\uparrow_{x}^{q_{i}}}$ in $\Sigma_{\nu}(\Sigma_{x}A)$ and $\measuredangle(\xi,\uparrow_{x}^{q_{i}})>\tfrac{\pi}{2}$, hence the statement follows. ∎ Now we are ready to finish construction in the general case. Let us define a subtype of pre-quasigeodesics: ###### A.3.7. Definition. Let $A\in\text{{\nnn Alex}}$ and $\Omega\subset A$ be an open subset. A pre-quasigeodesic $\gamma\colon[0,T)\to A$ is called $\Omega$-quasigeodesic if its entropy vanishes on $\Omega$, i.e. $\mu_{\gamma}(\gamma^{-1}(\Omega))=0$ From property 2 on page 2, it follows that the limit of $\Omega$-quasigeodesics is a $\Omega$-quasigeodesic. Moreover, if for any initial data we can construct an $\Omega$-quasigeodesic and an $\Omega^{\prime}$-quasigeodesic, then it is possible to construct an $\Omega\cup\Omega^{\prime}$-quasigeodesic for any initial data; for $\Upsilon\Subset\Omega\cup\Omega^{\prime}$, $\Upsilon$-quasigeodesic can be constructed by joining together pieces of $\Omega$ and $\Omega^{\prime}$-quasigeodesics and $\Omega\cup\Omega^{\prime}$-quasigeodesic can be constructed as a limit of $\Upsilon_{n}$-quasigeodesics as $\Upsilon_{n}\to\Omega\cup\Omega^{\prime}$. Let us denote by $\Omega$ the maximal open set such that for any initial data one can construct an $\Omega$-quasigeodesic. We have to show then that $\Omega=A$. Let $\mathfrak{C}=A\backslash\Omega$, and let $p\in\mathfrak{C}$ be the point with almost maximal $\operatorname{vol}_{m-1}\Sigma_{p}$. We will arrive to a contradiction by constructing a $B_{\varepsilon}(p)\cup\Omega$-quasigeodesic for any initial data. Choose a finite set of points $q_{i}$ as in A.3.6. Given $\varepsilon>0$, it is enough to construct an $\Omega$-quasigeodesic $\gamma_{\varepsilon}\colon[0,T)\to A$, for some fixed $T>0$ with the given initial data $x\in\bar{B}_{\varepsilon}(p)$, $\xi\in\Sigma_{x}$, such that the entropies $\mu_{\gamma_{\varepsilon}}((0,T))\to 0$ as $\varepsilon\to 0$. The $\Omega$-quasigeodesic $\gamma_{\varepsilon}$ which we are going to construct will have the following property: one can present $[0,T)$ as a countable union of disjoint half-open intervals $[a_{i},\bar{a}_{i})$ such that $\text{if}\ \ \ \frac{\gamma^{+}(a_{i})}{|\gamma^{+}(a_{i})|}\in\Sigma_{\gamma(a_{i})}\mathfrak{C}\ \ \ \text{then}\ \ \ \mu_{\gamma}([a_{i},\bar{a}_{i}))\leqslant\varepsilon{\cdot}\vartheta(a_{i},\bar{a}_{i})$ and $\text{if}\ \ \ \frac{\gamma^{+}(a_{i})}{|\gamma^{+}(a_{i})|}\not\in\Sigma_{\gamma(a_{i})}\mathfrak{C}\ \ \ \text{then}\ \ \ \mu_{\gamma}([a_{i},\bar{a}_{i}))=0$ Existence of $\gamma_{\varepsilon}$ is being proved the same way as in the $\delta$-strained case, with the use of one additional observation: if $\frac{\gamma^{+}(t_{\max})}{|\gamma^{+}(t_{\max})|}\not\in\Sigma_{\gamma(a_{i})}\mathfrak{C}$ then any $\Omega$-quasigeodesic in this direction has zero entropy for a short time. Then, just as in the $\delta$-strained case, applying inequality A.3.6 we get that $\mu_{\gamma_{\varepsilon}}(0,T)\to 0$ as $\varepsilon\to 0$. Therefore, passing to a partial limit $\gamma_{\varepsilon}\to\gamma$ gives a $B_{\varepsilon}(p)\cup\Omega$-quasigeodesic $\gamma\colon[0,T)\to A$ for any initial data in $B_{\varepsilon}(p)$. ∎ ### A.4 Quasigeodesics in extremal subsets. The second part of theorem A.0.1 follows from the above construction, but we have to modify Milka’s lemma A.3.2: ###### A.4.1. Extremal Milka’s lemma. Let $E\subset T_{p}$ be an extremal subset of a tangent cone then for any vector $v\in E$ there is a polar vector $v^{*}\in E$ such that $|v|=|v^{*}|$. Proof. Set $X=E\cap\Sigma_{p}$. If $\Sigma_{\xi}X\not=\varnothing$ then the proof is the same as for the standard Milka’s lemma; it is enough to choose a direction in $\Sigma_{\xi}X$ and shoot a quasigedesic $\gamma$ of length $\pi$ in this direction such that $\gamma\subset X$ ($\gamma$ exists from the induction hypothesis). If $X=\\{\xi\\}$ then from the extremality of $E$ we have $B_{\pi/2}(\xi)=\Sigma_{p}$. Therefore $\xi$ is polar to itself. Otherwise, if $\Sigma_{\xi}X=\varnothing$ and $X$ contains at least two points, choose $\xi^{*}$ to be closest point in $X\backslash\xi$ from $\xi$. Since $X\subset\Sigma_{p}$ is extremal we have that for any $\eta\in\Sigma_{p}$ $\measuredangle_{\Sigma_{p}}\eta\xi^{*}\xi\leqslant\tfrac{\pi}{2}$ and since $\Sigma_{\xi}X=\varnothing$ we have $\measuredangle_{\Sigma_{p}}\eta\xi\xi^{*}\leqslant\tfrac{\pi}{2}$. Therefore, from triangle comparison we have $|\xi\eta|_{\Sigma_{p}}+|\eta\xi^{*}|_{\Sigma_{p}}=\measuredangle(\xi,\eta)+\measuredangle(\eta,\xi^{*})\leqslant\pi$ ∎ ## References * [AGS] Ambrosio, Luigi; Gigli, Nicola; Savaré, Giuseppe Gradient flows in metric spaces and in the space of probability measures. Lectures in Mathematics ETH Zürich. Birkhäuser Verlag, Basel, 2005. viii+333 pp. * [AKP] Alexander, S. B.; Kapovitch, V. and Petrunin, A., An optimal lower curvature bound for convex hypersurfaces in Riemannian manifolds, Illinois J. Math. 52 (2008), 1031–1033. * [Alexander–Bishop 2003] S.Alexander, R.Bishop, $\mathcal{F}K$-convex functions on metric spaces. Manuscripta Math. 110, 115133 (2003) * [Alexander–Bishop 2004] Alexander, S. B.; Bishop, R. L. Curvature bounds for warped products of metric spaces. Geom. Funct. Anal. 14 (2004), no. 6, 1143–1181. * [Alexandrov 1945] A.D.Alexandrov, Curves on convex surfaces, Doklady Acad. 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Surveys 47 (1992), no. 2, 1–58 * [Buyalo] Buyalo, S., Shortest paths on convex hypersurface of a Riemannian manifold (Russian), Studies in Topology, Zap. Nauchn. Sem. LOMI 66 (1976) 114–132; translated in J. of Soviet. Math. 12 (1979), 73–85. * [Fukaya–Yamaguchi] Fukaya, Kenji; Yamaguchi, Takao Almost nonpositively curved manifolds. J. Differential Geom. 33 (1991), no. 1, 67–90. * [Gromov] Gromov, Michael Curvature, diameter and Betti numbers. Comment. Math. Helv. 56 (1981), no. 2, 179–195. * [Grove–Petersen 1988] Grove, Karsten; Petersen, Peter, V Bounding homotopy types by geometry. Ann. of Math. (2) 128 (1988), no. 1, 195–206. * [Grove–Petersen 1993] K. Grove and P. Petersen, A radius sphere theorem, Invent. Math. 112 (1993), 577–583. * [Grove–Wilhelm] Grove, Karsten; Wilhelm, Frederick Metric constraints on exotic spheres via Alexandrov geometry. J. Reine Angew. Math. 487 (1997), 201–217. * [Kapovitch 2002] Vitali Kapovitch, Regularity of limits of noncollapsing sequences of manifolds Geom. Funct. Anal. 12 (2002), no. 1, 121–137. * [Kapovitch 2005] Kapovitch, Vitali Restrictions on collapsing with a lower sectional curvature bound. Math. Z. 249 (2005), no. 3, 519–539. * [Kapovitch 2007] Vitali Kapovitch, Perelman’s stability theorem. this volume. * [KPT] Vitali Kapovitch, Anton Petrunin, Wilderich Tuschmann Nilpotency, Almost Nonnegative Curvature and the Gradient Push, to appear in Annals of Mathematics. * [Liberman] Liberman, J. Geodesic lines on convex surfaces. C. R. (Doklady) Acad. Sci. URSS (N.S.) 32, (1941). 310–313. * [Lytchak] Lytchak, A. Open map theorem for metric spaces. Algebra i Analiz 17 (2005), no. 3, 139–159; translation in St. Petersburg Math. J. 17 (2006), no. 3, 477–491 * [Lytchak–Nagano] Lytchak, A.; Nagano, K. Local geometry of spaces with an upper curvature bound, in preparation. * [Matveev–Shevchishin] Matveev, V. S.; Shevchishin, V. V. Polyhedral 3-manifold of nonnegative curvature. The authors gave few talks in 2007, but did not to publish the result. * [Mendonça] Sérgio Mendonça The asymptotic behavior of the set of rays, Comment. Math. Helv. 72 (1997) 331–348 * [Milka 1968] Milka, A. D. Multidimensional spaces with polyhedral metric of nonnegative curvature. I. (Russian) Ukrain. Geometr. Sb. Vyp. 5–6 1968 103–114. * [Milka 1969] Milka, A. D. Multidimensional spaces with polyhedral metric of nonnegative curvature. II. (Russian) Ukrain. Geometr. Sb. No. 7 (1969), 68–77, 185 (1970). * [Milka 1971] Milka, A. D. Certain properties of quasigeodesics. Ukrain. Geometr. Sb. No. 11 (1971), 73–77. * [Milka 1979] Milka, A. D. Shortest lines on convex surfaces (Russian), Dokl. Akad. Nauk SSSR 248 1979, no. 1, 34–36. * [Nikolaev] Nikolaev, I. G., Smoothness of the metric of spaces with bilaterally bounded curvature in the sense of A. D. Aleksandrov, (Russian) Sibirsk. Mat. Zh. 24 (1983), no. 2, 114–132. * [Otsu] Otsu, Yukio Differential geometric aspects of Alexandrov spaces. Comparison geometry (Berkeley, CA, 1993–94), 135–148, Math. Sci. Res. Inst. Publ., 30, Cambridge Univ. Press, Cambridge, 1997. * [Otsu–Shioya] Otsu, Yukio; Shioya, Takashi The Riemannian structure of Alexandrov spaces. J. Differential Geom. 39 (1994), no. 3, 629–658. * [Perelman 1991] Perelman, G. Alexandrov paces with curvature bounded from below II. Preprint LOMI, 1991. 35pp. * [Perelman 1993] Perelman, G. Ya., Elements of Morse theory on Aleksandrov spaces. (Russian) Algebra i Analiz 5 (1993), no. 1, 232–241; translation in St. Petersburg Math. J. 5 (1994), no. 1, 205–213 * [Perelman-DC] Perelman, G., DC Structure on Alexandrov Space, http://www.math.psu.edu/petrunin/papers/papers.html * [Perelman 1997] Perelman, G. Collapsing with no proper extremal subsets. Comparison geometry (Berkeley, CA, 1993–94), 149–155, Math. Sci. Res. Inst. Publ., 30, Cambridge Univ. Press, Cambridge, 1997. * [Perelman–Petrunin 1993] Perelman, G. Ya.; Petrunin, A. M. Extremal subsets in Aleksandrov spaces and the generalized Liberman theorem. (Russian) Algebra i Analiz 5 (1993), no. 1, 242–256; translation in St. Petersburg Math. J. 5 (1994), no. 1, 215–227 * [Perelman–Petrunin QG] G.Perelman, A.Petrunin, Quasigeodesics and Gradient curves in Alexandrov spaces. http://www.math.psu.edu/petrunin/papers/papers.html * [Petersen 1996] Petersen, Peter(1-UCLA) Comparison geometry problem list. Riemannian geometry (Waterloo, ON, 1993), 87–115, Fields Inst. Monogr., 4, Amer. Math. Soc., Providence, RI, 1996. * [Petrunin 1997] Petrunin, Anton Applications of quasigeodesics and gradient curves. Comparison geometry (Berkeley, CA, 1993–94), 203–219, Math. Sci. Res. Inst. Publ., 30, Cambridge Univ. Press, Cambridge, 1997. * [Petrunin 2003] Petrunin, Anton Polyhedral approximations of Riemannian manifolds. Turkish J. Math. 27 (2003), no. 1, 173–187. * [Petrunin 2007] Petrunin, Anton, An upper bound for curvature integral. to appear in Algebra i Analiz. * [Petrunin-GH] Petrunin, Anton, Gradient homotopy, in preparation. * [Plaut 1996] Plaut, Conrad, Spaces of Wald curvature bounded below, J. Geom. Anal., 6, 1996, 1, 113–134, * [Plaut 2002] Plaut, Conrad Metric spaces of curvature $\geqslant k$. Handbook of geometric topology, 819–898, North-Holland, Amsterdam, 2002. * [Pogorelov] A.V.Pogorelov, Qusigeodesic lines on a convex surface, Mat. Sb. v.25/2 (1949), p.275-306. * [PWZ] Petersen, Peter; Wilhelm, Frederick ; Zhu, Shun-Hui Spaces on and beyond the boundary of existence. J. Geom. Anal. 5 (1995), no. 3, 419–426. * [Reshetnyak] Reshetnyak Yu. G., Two-dimensional manifolds of bounded curvature. (English. Russian original) [CA] Geometry IV. Nonregular Riemannian geometry. Encycl. Math. Sci. 70, 3–163 (1993); translation from Itogi Nauki Tekh., Ser. Sovrem. Probl. Mat., Fundam. Napravleniya 70, 7–189 (1989). * [Sharafutdinov] V. A. Sharafutdinov, The Pogorelov–Klingenberg theorem for manifolds homeomorphic to $\mathbb{R}^{n}$, Sib. Math. J. v.18/4 (1977), p.915-925. * [Shiohama] Shiohama, Katsuhiro An introduction to the geometry of Alexandrov spaces. Lecture Notes Series, 8. Seoul National University, Research Institute of Mathematics, Global Analysis Research Center, Seoul, 1993. ii+78 pp. * [Shioya] T. Shioya, Splitting theorems for nonnegatively curved open manifolds with large ideal boundary, Math. Zeit. 212 (1993), 223–238. * [Yamaguchi] T. Yamaguchi, Collapsing and pinching under a lower curvature bound, Ann. of Math. (2) 113 (1991), 317–357.
arxiv-papers
2013-04-01T03:56:21
2024-09-04T02:49:43.674368
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "Anton Petrunin", "submitter": "Anton Petrunin", "url": "https://arxiv.org/abs/1304.0292" }
1304.0293
KEK-TH-1616 # What can we learn from the 126 GeV Higgs boson for the Planck scale physics ? \- Hierarchy problem and the stability of the vacuum - 111Contribution to SCGT12 ”KMI-GCOE Workshop on Strong Coupling Gauge Theories in the LHC Perspective”, 4-7 Dec. 2012, Nagoya University and HPNP2013 ”Toyama International Workshop on Higgs as a Probe of New Physics 2013”, 13–16, Feb. 2013, Toyama University Satoshi Iso Theory Center, Institute of Particles and Nuclear Studies High Energy Accelerator Research Organization (KEK) 1-1 Oho, Tsukuba, Ibaraki, Japan 305-0801 ###### Abstract The discovery of the Higgs particle at around 126 GeV has given us a big hint towards the origin of the Higgs potential. The running quartic self-coupling decreases and crosses zero somewhere in the very high energy scale. It is usually considered as a signal of the instability of the standard model (SM) vacuum, but it can also indicate a link between the physics in the electroweak scale and the Planck scale. Furthermore, the LHC experiments as well as the flavor physics experiments give strong constraints on the physics beyond the SM. It urges us to reconsider the widely taken approach to the physics beyond the SM (BSM), namely the approach based on the gauge unification below the Planck scale and the resulting hierarchy problem. Motivated by the recent experiments, we first revisit the hierarchy problem and consider an alternative appoach based on a classical conformality of the SM without the Higgs mass term. In this talk, I review our recent proposal of a B-L extension of the SM with a flat Higgs potential at the Planck scale IsoOrikasa ; IOO . This model can be an alternative solution to the hierarchy problem as well as being phenomenologically viable to explain the neutrino oscillations and the baryon asymmetry of the universe. With an assumption that the Higgs has a flat potential at the Planck scale, we show that the B-L symmetry is radiatively broken at the TeV scale via the Coleman-Weinberg mechanism, and it triggers the electroweak symmetry breaking through a radiatively generated scalar mixing. The ratio of these two breaking scales is dynamically determined by the B-L gauge coupling. ## I Central dogma of particle physics In the LHC era, we acquired various hints towards the physics beyond the SM. The first hint is of course the mass of the recently discovered Higgs-like particle. The value of 126 GeV is quite interesting because it is close to the boarder of the stability bound. Given the vev of the Higgs at 246 GeV, its mass gives an information of the curvature of the potential at the minimum. As the mass 126 GeV is smaller than 246 GeV, the Higgs potential is rather shallow and unstable against the radiative corrections. The (in)stability of the SM vacuum can be investigated explicitly by looking at the running bahaviour of the quartic coupling. The beta function of the quartic Higgs coupling $\lambda_{H}$ is given by $\displaystyle\beta_{H}=\frac{1}{16\pi^{2}}\left(24\lambda_{H}^{2}-6Y_{t}^{4}+\frac{9}{8}g^{4}+\frac{3}{8}g_{Y}^{4}\right).$ (1) $Y_{t}$ is the top Yukawa coupling and $g,g_{Y}$ are $SU(2)_{L},U(1)_{Y}$ gauge couplings. It is either positive or negative whether the negative contribution by the large top Yukawa coupling is compensated by the gauge couplings and the Higgs quartic coupling. The corresponding quartic coupling to the 126 GeV Higgs boson does not suffice to compensate it and the beta function is negative. So the running quartic coupling crosses zero somewhere at the UV energy scale. It is very suggestive that the observed value of the Higgs mass is close to the stability bound up to the Planck scale Espinosa $\displaystyle M_{h}[\mbox{GeV}]>129.2+1.8\left(\frac{M_{t}[\mbox{GeV}]-173.2}{0.9}\right)-0.5\left(\frac{\alpha_{s}(M_{Z})-0.1184}{0.0007}\right)\pm 1.0_{th}.$ (2) When the Higgs mass is lighter than the above bound, new physcis must appear below the Planck scale. But if it lies just on the border of the stability bound, it gives a big hint to the origin of the Higgs potential at the Planck scaleFP1 . Another important information is that the LHC results are almost consistent with the SM. Furhtermore the precision experiments of the flavor physics, Babar, Belle and LHCb, gave stringent constraints on the physics beyond the SM. Of course, in spite of the above rather unexpectedly good agreement with the SM, there exist phenomena which cannot be explained within the SM. Nuetrino oscillation requires the dimension 5 operator $l\phi l\phi$ and a new scale beyond the SM must be introduced. The baryon asymmetry of the universe also requires an additional source of the CP violation. The SM anyway needs to be extended to explain these phenomana. The most common appoach to go beyond the SM is based on a unification of the gauge couplings below the Planck scale, i.e. the GUT scale. Then we need a natural explanation why the electroweak scale is much smaller than the GUT scale. In order to solve the hierarchical structure of the scales, the supersymmetry is introduced. Here I call the sequence of ideas from GUT to the hierarchy problem and the low energy supersymmetry the central dogma of particle physics. In addition to solving the hierarchy problem, it can improve the gauge coupling unification as well as providing candidates of the dark matter particles. But as the bonus we get or as the price we pay, it predicts many new particles at the TeV scale and the recent experiments have given strong constraints on the models with low energy supersymmetry. In such circumstances, it may be a good time to reconsider the central dogma of particle physics. In this note, we take an approach to the hierarchy problem suggested by Bardeen. In the next section, we interpret the Bardeen’s argument in terms of the renormalization group. If we adopt the argument, the most natural mechanism to break the electreweak symmetry is the Coleman- Weinberg (CW) mechanism. But we know that the CW mechanism does not work within the SM because of the large top Yukawa coupling, so we need to extend the SM. In section 3, we introduce our model, a classically conformal $B-L$ extension of the SM and then discuss the dynamics of the model. ## II Bardeen’s argument of the hierarchy problem We pay a special attention to the almost scale invariance of the SM. At the classical level, the SM Lagrangian is conformal invariant except for the Higgs mass term. Bardeen argued Bardeen that once the classical conformal invariance and its minimal violation by quantum anomalies are imposed on the SM, it may be free from the quadratic divergences. Bardeen’s argument on the hierarchy problem may be interpreted as follows AokiIso . We classify divergences of the scalar mass term in the SM into the following 3 classes, * • quadratic divergences: $\Lambda^{2}$ * • logarithmic divergences with a small coefficient: $m^{2}\log(\Lambda/\mu)$ * • logarithmic divergences with a large coefficient: $M^{2}\log(\Lambda/\mu)$ The logarithmic divergences are operative both in the UV and the IR. In particular, it controls a running of coupling constants and is observable. On the other hand, the quadratic divergence can be always removed by a subtraction. Once subtracted, it no longer appears in observable quantities. In this sense, it gives a boundary condition of a quantity in the IR theory at the UV energy scale where the IR theory is connected with a UV completion theory. Indeed, the RGE of a Higgs mass term $m^{2}$ in the SM $\displaystyle V(H)=-m^{2}H^{\dagger}H+\lambda_{H}(H^{\dagger}H)^{2}$ (3) is approximately given by $\displaystyle\frac{dm^{2}}{dt}=\frac{m^{2}}{16\pi^{2}}\left(12\lambda_{H}+6Y_{t}^{2}-\frac{9}{2}g^{2}-\frac{3}{2}g_{Y}^{2}\right).$ (4) The quadratic divergence is subtracted by a boundary condition either at the IR or UV scale. Once the initial condition of the RGE is given at the UV scale, it is no longer operative in the IR. The RGE shows that the mass term $m^{2}$ is multiplicatively renormalized. If it is zero at a UV scale $M_{UV}$, it continues to be zero at lower energy scales. In this sense, the quadratic divergence is not the issue in the IR effective theory, but the issue in the UV completion theory. Hence if the SM (and its extension at the TeV scale) is directly connected with a UV completion theory at the Planck scale physics, the hierarchy problem turns out to be a problem of the boundary condition at the UV scale. If the UV completion theory is an ordinary field theory, it will be difficult to protect the masslessness of the scalar particle against radiative corrections by massive particles of the UV scale unless we introduce, e.g. the low-energy supersymmetry. But in the string theory, symmetry is sometimes enhanced on a moduli space and massless scalars can survive even without supersymmetry. Also discrete symmetry like T-duality, which is invisible in the low energy effective theory, may prohibit a generation of potential at the string scale. The multiplicative renormalization of the Higgs mass term is violated by a mixing with a massive field in the loop. If the massive field aquires its mass in a different mechanism with the EWSB, the Higgs mass has a logarithmic divergence $\displaystyle\delta m^{2}\sim\frac{\lambda^{2}M^{2}}{16\pi^{2}}\log(\Lambda^{2}/m^{2})$ (5) which modifies the RGE as $\displaystyle\frac{dm^{2}}{dt}=\frac{m^{2}}{16\pi^{2}}\left(12\lambda_{H}+6Y_{t}^{2}-\frac{9}{2}g^{2}-\frac{3}{2}g_{Y}^{2}\right)+\frac{M^{2}}{8\pi^{2}}\lambda^{2}.$ (6) The last term corresponds to the logarithmic divergence with a large coefficient. The coefficient $M^{2}$ has nothing to do with the mass of the Higgs $m^{2}$, and it violates the multiplicativity of the Higgs mass. Thus the hierarchy problem, namely the stability of the EWSB scale, is caused by such a mixing of relevant operators (mass terms) with hierarchical energy scales $m\ll M$. In the Bardeen’s argument, he also imposes an absence of intermediate scales above the EW scale. The logarithmic divergence with a large coefficient (5) is sometimes confused with the quadratic divergence, but if the UV completion theory is something like a string theory, they should be distinguished. From the above considerations, the hierarchy problem can be solved by imposing the following two different conditions; * • Correct boundary condition at the UV (Planck) scale $M_{pl}$ * • Absence of mixings in intermediate scales below $M_{pl}$ The first condition subtracts the quadratic divergence at the Planck scale. It must be solved in the UV completion theory such as the string theory. The most natural boundary condition is that scalar fields which appear in the low energy physics are massless at the Planck scale. On the other hand, the second condition assures the absence of logarithmic divergences with large coefficients. Even if the scalars are massless at the Planck scale, they receive large radiative corrections from the mixing with other relevant operators. Without a cancellation mechanism like the supersymmetry, we need to impose an absence of intermediate scales between EW (or TeV) and Planck scales. Hence all symmetries are broken either at the Planck scale or near the EW scale. Especially, the breakings of the supersymmetry or the grand unification of gauge coupling should occur at the Planck scale. This second condition is also emphasized in the Bardeen’s argument Bardeen . In such a scenario, Planck scale physics is directly connected with the electroweak physics shapo . Hence a natural boundary condition of the mass term at the UV cut-off scale, e.g. $M_{Pl}$, is $\displaystyle m^{2}(M_{Pl})=0.$ (7) This is the condition of the classical conformality of the BSM. The condition (7) must be justified in the UV completion theory, and from the low energy effective theory point of view, it is just imposed as a boundary condition 222The condition (7) may look similar to the Veltman condtion Veltman , but they are conceptually different at all. In the Veltman condition, the quadratic divergence is considered to be cancelled between various contributions of bosons and fermions. Such a cancellation occurs in a very special situation of the IR physics. On the contrary, the condition (7) is independent of the matter content in the IR, and robust against a change of scales. . ## III Flat potential at the Planck scale The condition (7) restricts the form of the Higgs potential as $\displaystyle V(H)=\lambda_{H}(H^{\dagger}H)^{2}.$ (8) Here $\lambda_{H}$ is the running coupling and the RG improved effecitve potential is given by making the coupling $\lambda_{H}(H)$ field dependent. The mass term is not generated even in the IR as discussed in the previous section once the boundary condtion (7) is imposed at the boundary with the UV completion theory. The mass of the Higgs at 126 GeV suggests that the running coupling becomes asymptotically vanishing near the Planck scale. The current bounds (2) is a bit heavier than the experimental data, but in this note, we assume that the Higgs quartic coupling vanishes at the Planck scale. Hence $\displaystyle V(H)=0\mbox{ at the Planck scale}.$ (9) The condition may connect the SM in the IR with the string theory in the UV. Now we have to solve two problems. The first is whether we can construct a phenomenologically viable model starting from the condtion of the flatness of the Higgs potential (9), and the second is to derive such a boundary condtion from the UV completion theory such as a string theory. Supersymmetry or grand unification, if exists, are broken at the Planck scale. In the following we focus on the first problem by proposing a B-L extension of the SM with a flat potential at the Planck scale. The second issue is left for future investigations. Since the IR theory is assumed to have the boundary condition (9), the electroweak symmetry breaking should occur radiatively, namely the Coleman- Weinberg mechanism. However, it is now well-known that the CW mechanism cannot occur within the SM because of the large top-Yukawa coupling. Indeed, the CW mechanism is realized only when the beta-function of the quartic scalar coupling is positive and the running quartic coupling crosses zero somewhere in the IR. But as we saw, the beta function of the quartic Higgs coupling is positive in the SM and its behavior is opposite to the CW mechanism. Hence, in order to realize the EWSB, we need an additional sector in which the symmetry is broken radiatively by the CW mechanism and whose symmetry breaking triggers the EWSB. In the next section, we introduce our model, namely a B-L extension of the SM with a flat potential at the Planck scale. ## IV B-L extension of the SM with flat potential at Planck The idea to utilize the CW mechanism to solve the hierarchy problem was first modelled by Meissner and Nicolai MaNi (see also Dias ). In addition to the SM particles, they introduced right-handed neutrinos and a SM singlet scalar $\Phi$. Inspired by the work, we proposed a minimal phenomenologically viable model IOO . It is the minimal B-L model B-L , but with a classical conformality. The model is similar to the one proposed by Meissner and Nicolai MaNi , but the difference is whether the B-L symmetry is gauged or not. In a recent paper we further showed that by imposing the flatness (9) of the Higgs potential at the Planck scale the B-L breaking scale is related with the EWSB scale. The ratio of two scales is dynamically determined by the B-L gauge coupling and the B-L breaking scale is naturally constrained to be around TeV scale B-L2 for a not so small B-L gauge coupling. Besides the SM particles the model consists of the B-L gauge field with the gauge coupling $g_{B-L}$, right-handed nuetrinos $\nu_{R}^{i}$ ($i=1,2,3$ denotes the generation index) and a SM singlet complex scalar field $\Phi$ with two units of the B-L charge. The model is anomaly free. The Lagrangian contains Majorana Yukawa coupling $\sim Y_{N}^{i}\Phi\bar{\nu}_{R}^{ic}\nu_{R}^{i}$, and the see-saw mechanism gives masses to the left-handed neutrinos once the scalar $\Phi$ acquires vev. ## V Symmetry breakings of B-L and EW Since the B-L gauge symmetry is broken by the CW mechanism, the breaking scale is correlated with the quartic coupling $\lambda_{\Phi}$ at the UV scale. Its running is described by $\frac{d\lambda_{\Phi}}{dt}=\frac{1}{16\pi^{2}}\left(20\lambda_{\Phi}^{2}-\frac{1}{2}Tr\left[Y_{N}^{4}\right]+96g_{B-L}^{4}+\cdots\right).$ (10) If the Mayorana Yukawa coupling is not so large, the beta function is positive. The typical behavior of the running $\lambda_{\phi}$ is drawn in Fig. 1. It crosses zero at a lower energy scale $M_{0}$, then the B-L symmetry is broken at $M_{B-L}\sim M_{0}\exp(-1/4)$ through the CW mechanismIsoOrikasa . Figure 1: RG evolution of the self-coupling $\lambda_{\phi}$ of a SM singlet scalar $\phi$. Since the $\beta$ function is positive, the running coupling crosses zero at a lower energy scale. As shown in the paper IOO , the ratio of the scalar boson mass to the B-L gauge boson mass is given by $\displaystyle\left(\frac{m_{\Phi}}{m_{Z^{\prime}}}\right)^{2}\sim\frac{6}{\pi}\alpha_{B-L}\ll 1.$ (11) The condition that the B-L gauge coupling does not diverge up to the Planck scale requires $\alpha_{B-L}<0.015$ at $M_{B-L}$. Hence the scalar boson becomes lighter than the B-L gauge boson, $m^{2}_{\Phi}<0.03\ m^{2}_{Z^{\prime}}$. Such a very light scalar boson is a general prediction of the CW mechanism. The EWSB is triggered by the B-L breaking. The flatness condition (9) of the Higgs potential predicts an absence of the scalar mixing at the Planck scale. Hence B-L and EW sectors are decoupled each other in the UV. But since the matter fields are coupled to both $U(1)_{Y}$ and $U(1)_{B-L}$, these two sectors become mixed through the $U(1)$-mixing. As a result, the scalar mixing term $\lambda_{mix}(H^{\dagger}H)(\Phi^{\dagger}\Phi)$ appears in the IR. It is interesting that a very small negative mixing $\lambda_{mix}$ is always generated irrespective of the details of other parameters once we assume the flatness condition $\lambda_{mix}(M_{pl})=0$. By solving the RGE IsoOrikasa we showed that the scalar mixing term is dynamically generated around $\lambda_{mix}\sim-4\times 10^{-4}$. If the $\Phi$ field acquires a VEV $\langle\Phi\rangle=M_{B-L}$, the mixing term $\lambda_{mix}(H^{\dagger}H)(\Phi^{\dagger}\Phi)$ gives an effective mass term of the Higgs field. Since the coefficient $\lambda_{mix}$ is negative, the EWSB is triggered and the Higgs VEV is given by $\displaystyle v=\langle H\rangle=\sqrt{\frac{|\lambda_{mix}|}{\lambda_{H}}}M_{B-L}$ (12) This gives a ratio between the EWSB scale to the B-L symmetry breaking scale. The scalar mixing is determined in terms of the gauge couplings, so the ratio of two breaking scales is also determined dynacamilly in terms of the gauge coupling $g_{B-L}$. ## VI Model predictions The dyanamics of the model is controlled by two parameters, $g_{B-L}$ and $\lambda_{\Phi}$, which determines the two breaking scales of B-L and EW. Figure 2: Model prediction is drawn in the black line (from top left to down right). The $B-L$ gauge coupling $\alpha_{B-L}$ and the gauge boson mass $m_{Z^{\prime}}$ are related because of the flat potential assumption at the Planck scale. The left side of the most left solid line in blue has been already excluded by the LEP experiment. The left of the dashed line can be explored in the 5-$\sigma$ significance at the LHC with $\sqrt{s}$=14 TeV and an integrated luminosity 100 fb-1. The left of the most right solid line (in red) can be explored at the ILC with $\sqrt{s}$=1 TeV, assuming 1% accuracy. The experimental input $v=246$ GeV gives a relation between these two and the dynamics of the model is essentially described by a single parameter. The figure 2 shows the prediction of our model. The vertical axis is the strength of $\alpha_{B-L}$ and the horizontal axis is the mass of the B-L gauge boson. The black line (from top left to down right) shows the prediction of our model. If an extra $U(1)$ gauge boson and a SM singlet scalar are found in the future, the prediction of our model is the mass relation (11), e.g., $m_{\phi}\sim 0.1\ m_{Z^{\prime}}$ for $\alpha_{B-L}\sim 0.005$. The CW mechanism in the B-L sector predicts a much lighter SM singlet Higgs boson than the extra $U(1)$ gauge boson. It is different from the ordinary TeV scale B-L model where the symmetry is broken by a negative squared mass term. Nuetrino oscillation is realized by the type I see-saw mechanism with small neutrino Yukawa couplings. Baryon number asymmetry of the universe may be generated through the TeV scale leptogenesis with almost degenerate Majorana massesIOO3 . Furhter phenomenological issues such as $U(1)$ mixing or the lepton number violation at the TeV scale are discussed in a separate paper. ## References * (1) S. Iso and Y. Orikasa, PTEP 2013, 023B08 (2013) * (2) S. Iso, N. Okada and Y. Orikasa, Phys. Lett. B 676, 81 (2009) Phys. Rev. D 80, 115007 (2009) * (3) J. Elias-Miro, J. R. Espinosa, G. F. Giudice, G. Isidori, A. Riotto and A. Strumia, Phys. Lett. B 709, 222 (2012) S. Alekhin, A. Djouadi and S. Moch, Phys. Lett. B 716, 214 (2012) I. Masina, arXiv:1209.0393 [hep-ph]. * (4) C. P. Burgess, V. Di Clemente and J. R. Espinosa, JHEP 0201, 041 (2002) M. Shaposhnikov and C. Wetterich, Phys. Lett. B 683, 196 (2010) M. Holthausen, K. S. Lim and M. Lindner, JHEP 1202 (2012) 037 F. Bezrukov, M. Y. .Kalmykov, B. A. Kniehl and M. Shaposhnikov, * (5) W. A. Bardeen, FERMILAB-CONF-95-391-T * (6) H. Aoki and S. Iso, Phys. Rev. D 86, 013001 (2012) * (7) K. A. Meissner and H. Nicolai, Phys. Lett. B 648, 312 (2007) Phys. Lett. B 660, 260 (2008) Eur. Phys. J. C 57, 493 (2008) * (8) M. Shaposhnikov, arXiv:0708.3550 [hep-th]. T. Asaka, S. Blanchet and M. Shaposhnikov, Phys. Lett. B 631, 151 (2005) M. Shaposhnikov, Nucl. Phys. B 763, 49 (2007) * (9) A. G. Dias, Phys. Rev. D 73, 096002 (2006), R. Hempfling, Phys. Lett. B 379, 153 (1996), W. F. Chang, J. N. Ng and J. M. S. Wu, Phys. Rev. D 75, 115016 (2007), R. Foot, A. Kobakhidze, K. L. McDonald and R. R. Volkas, Phys. Rev. D 76, 075014 (2007) M. Holthausen, M. Lindner and M. A. Schmidt, Phys. Rev. D 82, 055002 (2010), L. Alexander-Nunneley and A. Pilaftsis, JHEP 1009, 021 (2010) K. Ishiwata, Phys. Lett. B 710, 134 (2012) J. S. Lee and A. Pilaftsis, Phys. Rev. D 86, 035004 (2012) * (10) R. N. Mohapatra and R. E. Marshak, Phys. Rev. Lett. 44, 1316 (1980); R. E. Marshak and R. N. Mohapatra, Phys. Lett. B 91, 222 (1980); C. Wetterich, Nucl. Phys. B 187, 343 (1981); A. Masiero, J. F. Nieves and T. Yanagida, Phys. Lett. B 116, 11 (1982); R. N. Mohapatra and G. Senjanovic, Phys. Rev. D 27, 254 (1983); W. Buchmuller, C. Greub and P. Minkowski, Phys. Lett. B 267, 395 (1991). * (11) S. Khalil, J. Phys. G 35, 055001 (2008) M. Abbas and S. Khalil, JHEP 056, 804 (2008) S. Khalil and A. Masiero, Phys. Lett. B 665, 374 (2008) L. Basso, A. Belyaev, S. Moretti and C. H. Shepherd-Themistocleous, Phys. Rev. D 80, 055030 (2009) L. Basso, A. Belyaev, S. Moretti, G. M. Pruna and C. H. Shepherd-Themistocleous, Eur. Phys. J. C 71, 1613 (2011) * (12) S. Iso, N. Okada and Y. Orikasa, Phys. Rev. D 83, 093011 (2011) N. Okada, Y. Orikasa and T. Yamada, Phys. Rev. D 86, 076003 (2012) * (13) M. J. G. Veltman, Acta Phys. Polon. B 12, 437 (1981). See also a recent attempt, Y. Hamada, H. Kawai, K. -y. Oda Phys. Rev. D 87 (2013) 053009
arxiv-papers
2013-04-01T04:09:43
2024-09-04T02:49:43.695317
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Satoshi Iso", "submitter": "Satoshi Iso", "url": "https://arxiv.org/abs/1304.0293" }
1304.0338
11institutetext: University of Bucharest 11email: [email protected] # Existence of equilibrium for multiobjective games in abstract convex spaces Monica Patriche University of Bucharest, Faculty of Mathematics and Computer Science, 14 Academiei Street, 010014 Bucharest, Romania ###### Abstract In this paper we use the minimax inequalities obtained by S. Park (2011) to prove the existence of weighted Nash equilibria and Pareto Nash equilibria of a multiobjective game defined on abstract convex spaces. ###### Keywords: minimax inequality, weighted Nash equilibria, Pareto Nash equilibria, multiobjective game, abstract convex space. 2000 Mathematics Subject Classification: 47H10, 55M20, 91B50. ## 1 INTRODUCTION Recently, in [8], S. Park introduced a new concept of abstract convex space and several classes of correspondences having the KKM property. With this new concept, the KKM type correspondences were used to obtain coincidence theorems, fixed point theorems and minimax inequalities. S. Park generalizes and unifies most of important results in the KKM theory on G-convex spaces, H-spaces, and convex spaces (for example, see [8]-[13]). For the history of KKM literature, we must remind Ky Fan [3], who extended the original KKM theorem to arbitrarily topological vector space. The property of close-valuedness of related KKM correspondences was replaced with more general concepts. In [7], Luc and al. have introduced the concept of intersectionally closed-valued correspondences and in [13], S. Park has obtained new KKM type theorems for this kind of KKM correspondences. In this paper we use the minimax inequalities obtained by S. Park in [13] to prove the existence of weighted Nash equilibria and Pareto Nash Equilibria of a multiobjective game defined on abstract convex spaces. For the history of minimax theorems, I also must remind the name of Ky Fan (see [4]). Among the authors who studied the existence of Pareto equilibria in game theory with vector payoffs, I emphasize S. Chebbi [2], W. K. Kim [5], W. K. Kim, X. P. Ding [6], H. Yu [16], J. Yu, G. X.-Z Yuan [17], X. Z. Yuan, E. Tarafdar [18]. A reference work is the paper of M. Zeleny [19]. The approaches of above- mentioned authors deal with the Ky Fan minimax inequality, quasi-equilibrium theorems or quasi-variational inequalities. We must mention the papers of P. Borm, F. Megen, S. Tijs [1], who introduced the concept of perfectness for multicriteria games and M. Voorneveld, S. Grahn, M. Dufwenberg [14], who studied the existence of ideal equilibria. Ather authors, as H. Yu (see [16]), obtained the existence of a solution of multiobjective games by using new concepts of continuity and convexity. The paper is organised as follows: In section 2, some notation, terminological convention, basic definitions and results about abstract convex spaces and minimax inequalities are given. Section 3 introduces the model, that is, a multiobjective game defined on an abstract convex space and the concept of weight Nash equilibrium. Section 4 contains existence results for weight Nash equilibrium and Pareto Nash equilibrium. ## 2 ABSTRACT CONVEX SPACES AND MINIMAX INEQUALITIES Let $A$ be a subset of a topological space $X$. $2^{A}$ denotes the family of all subsets of $A$. $\overline{A}$ denotes the closure of $A$ in $X$ and int$A$ denotes the interiorof $A$. If $A$ is a subset of a vector space, co$A$ denotes the convex hull of $A$. If $F$, $G:$ $X\rightarrow 2^{Y}$ are correspondences, then co$G$, cl $G$, $G\cap F$ $:$ $X\rightarrow 2^{Y}$ are correspondences defined by $($co$G)(x)=$co$G(x)$, $($cl$G)(x)=$cl$G(x)$ and $(G\cap F)(x)=G(x)\cap F(x)$ for each $x\in X$, respectively. The graph of $F:X\rightarrow 2^{Y}$ is the set Gr$(F)=\\{(x,y)\in X\times Y\mid y\in F(x)\\}$ and $F^{-}:Y\rightarrow 2^{X}$ is defined by $F^{-}(y)=\\{x\in X:y\in F(x)\\}$ for $y\in Y.$ Let $\tciFourier(A)$ be the set of all nonempty finite subsets of a set $A.\vskip 6.0pt plus 2.0pt minus 2.0pt$ For the reader’s convenience, we review a few basic definitions and results from abstract convex spaces. Definition 1 [13]. Let $X$ be a topological space, $D$ be a nonempty set and let $\Gamma:\tciFourier(D)\rightarrow 2^{X}$ be a correspondence with nonempty values $\Gamma_{A}=\Gamma(A)$ for $A\in\tciFourier(D).$ The family $(X,D;\Gamma)$ is called an abstract convex space. Definition 2 [13]. For a nonempty subset $D^{\prime}$ of $D$, we define the $\Gamma$-convex hull of $D^{\prime}$, denoted by co${}_{\Gamma}D^{\prime}$, as co${}_{\Gamma}D^{\prime}$=$\cup\\{\Gamma_{A}:A\in\tciFourier(D^{\prime})\\}\subset X.$ Definition 3 [13]. Given an abstract convex space ($X,D,\Gamma$), a nonempty subset $Y$ of $X$ is called to be a $\Gamma$-convex subset of ($X,D,\Gamma$) relative to $D^{\prime}$ if for any $A\in\tciFourier$($D^{\prime}$), we have $\Gamma_{A}\subset Y$, that is, co${}_{\Gamma}D^{\prime}\subset Y.$ Definition 4 [13]. When $D\subset X$ in ($X,D,\Gamma$), a subset $Y$ of $X$ is said to be $\Gamma$-convex if co${}_{\Gamma}(Y\cap D)\subset Y;$ in other words, $Y$ is $\Gamma$-convex relative to $D^{\prime}=Y\cap D.$ In case $X=D,$ let $(X,\Gamma)=(X,X,\Gamma).$ Definition 5 [13]. The abstract convex space ($X,D,\Gamma$) is called compact if $X$ is compact. We have abstract convex subspaces as the following simple observation. ###### Proposition 1 For an abstract convex space ($X,D,\Gamma$) and a nonempty subset $D^{\prime}$ of $D$, let $Y$ be a $\Gamma$-convex subset of $X$ relative to $D^{\prime}$ and $\Gamma^{\prime}:\tciFourier$($D^{\prime}$)$\rightarrow 2^{Y}$ a correspondence defined by $\Gamma_{A}^{\prime}=\Gamma_{A}\subset X$ for $A\in\tciFourier$($D^{\prime}$). Then ($Y,D^{\prime},\Gamma^{\prime}$) itself is an abstract convex space called a subspace relative to $D^{\prime}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ The following result is known. ###### Lemma 1 (12) Let ($X_{i},D_{i},\Gamma_{i}$)i∈I be any family of abstract convex spaces. Let $X=\mathop{\textstyle\prod}\nolimits_{i\in I}X_{i}$ be equipped with the product topology and $D=\mathop{\textstyle\prod}\nolimits_{i\in I}D_{i}$. For each $i\in I$, let $\pi_{i}:D\rightarrow D_{i}$ be the projection. For each $A\in\tciFourier$($D$), define $\Gamma(A)=\mathop{\textstyle\prod}\nolimits_{i\in I}\Gamma_{i}(\pi_{i}(A))$. Then ($X,D,\Gamma$) is an abstract convex space. Definition 6 [13]. Let ($X,D,\Gamma$) be an abstract convex space. Then $F:D\rightarrow 2^{X}$ is called a KKM correspondence if it satisfies $\Gamma_{A}\subset F(A):=\cup_{y\in A}F(y)$ for all $A\in\tciFourier$($D$). Definition 7 [13]. The partial KKM principle for an abstract convex space ($X,D,\Gamma$) is the statement that, for any closed-valued KKM correspondence $F:D\rightarrow 2^{X}$, the family $\\{F(z)\\}_{z\in D}$ has the finite intersection property. The KKM principle is the statement that the same property also holds for any open-valued KKM correspondence. An abstract convex space is called a KKM space if it satisfies the KKM principle. ###### Proposition 2 Let ($X,D,\Gamma$) be an abstract convex space and ($X,D^{\prime},\Gamma^{\prime}$) a subspace. If ($X,D,\Gamma$) satisfies the partial KKM principle, then so does ($X$, $D^{\prime},\Gamma^{\prime}$). Let ($X,D,\Gamma$) be an abstract convex space. Definition 8 [13]. The function $f:X\rightarrow\overline{\mathbb{R}}$ is said to be quasiconcave (resp. quasiconvex) if $\\{x\in X:f(x)>r\\}$ (resp., $\\{x\in X:f(x)<r\\}$ is $\Gamma$-convex for each $r\in\overline{\mathbb{R}}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ In [7], Luc and al. have introduced the concept of intersectionally closed- valued correspondences. Definition 9. Let $F:D\rightarrow 2^{X}$ be a correspondence. (i) [7] $F$ is intersectionally closed-valued if $\cap_{z\in D}\overline{F(z)}=\overline{\cap_{z\in D}F(z)};$ (ii) $F$ is transfer closed-valued if $\cap_{z\in D}\overline{F(z)}=\cap_{z\in D}F(z);$ (iii) [7] $F$ is unionly open-valued if Int$\cup_{z\in D}F(z)=\cup_{z\in D}$Int$F(z);$ (iv) $F$ is transfer open-valued if $\cup_{z\in D}F(z)=\cup_{z\in D}$Int$F(z);$ Luc at al. [7] noted that (ii)$\Rightarrow$(i$).$ ###### Proposition 3 (7) The correspondence $F$ is intersectionally closed-valued (resp. transfer closed-valued) if only if its complement $F^{C}$ is unionly open-valued (resp. transfer open-valued). Definition 10 [13]. Let$Y$ be a subset of $X.$ (i) $Y$ is said to be intersectionally closed (resp. transfer closed) if there is an intersectionally (resp., transfer) closed-valued correspondence $F:D\rightarrow 2^{X}$ such that $Y=F(z)$ for some $z\in D.$ (ii) $Y$ is said to be unionly open (resp. transfer open) if there is an unionly (resp., transfer) open-valued correspondence $F:D\rightarrow 2^{X}$ such that $Y=F(z)$ for some $z\in D.\vskip 6.0pt plus 2.0pt minus 2.0pt$ S. Park gives in [13] the concept of generally lower (resp. upper) semicontinuous function. Definition 11 [13]. The function $f:D\times X\rightarrow\overline{\mathbb{R}}$ is said to be generally lower (resp. upper) semicontinuous (g.l.s.c.) (resp. g.u.s.c.) on $X$ whenever, for each $z\in D,$ $\\{y\in X:f(z,y)\leq r\\}$ (resp., $\\{y\in X:f(z,y)\geq r\\})$ is intersectionally closed for each $r\in\overline{\mathbb{R}}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ The aim of this paper is to prove the existence of a weighted Nash equilibrium for a multicriteria game defined in the framework of abstract convex spaces. For our purpose, we need the following theorem (variant of Theorem 6.3 in [13]). ###### Theorem 2.1 (Minimax inequality, [13]). Let ($X,D=X,\Gamma$) an abstract convex space satisfying the partial KKM principle, $f,g:X\times X\rightarrow\overline{\mathbb{R}}$ extended real-valued functions and $\gamma\in\overline{\mathbb{R}}$ such that (i) for each $x\in X,$ $g(x,x)\leq\gamma;$ (ii) for each $y\in X,$ $F(y)=\\{x\in X:f(x,y)\leq\gamma\\}$ is intersectionally closed (respectiv, transfer closed); (iii) for each $x\in X,$ co${}_{\Gamma}\\{y\in X:f(x,y)>\gamma\\}\subset\\{y\in X:g(x,y)>\gamma\\};$ (iv) the correspondence $F:X\rightarrow 2^{X}$ satisfies the following condition: there exists a nonempty compact subset $K$ of $X$ such that either (a) $K\supset\cap\\{\overline{F(y)}:y\in M\\}$ for some $M\in\tciFourier$($X$); or (b) for each $N\in\tciFourier$($X$), there exists a compact $\Gamma$-convex subset $L_{N}$ of $X$ relative to some $X^{\prime}\subset X$ such that $N\subset X^{\prime}$ and $K\supset L_{N}\cap\cap_{y\in X^{\prime}}\overline{F(y)}\neq\phi.$ Then 1) there exists a $x_{0}\in X$ $($resp., $x_{0}\in K)$ such that $f(x_{0},y)\leq\gamma$ for all $y\in X;$ 2) if $\gamma:=\sup_{x\in X}g(x,x)$, then we have inf${}_{x\in X}\sup_{y\in X}f(x,y)\leq\sup_{x\in X}g(x,x).\vskip 6.0pt plus 2.0pt minus 2.0pt$ For the case when $X=D$ (we are concerned with compact abstract spaces ($X,\Gamma$) satisfying the partial KKM principle), we have the following variants of the corollaries stated in [13]. ###### Corollary 1 (13) Let $f,$ $g:X\times X\rightarrow\mathbb{R}$ be real-valued functions and $\gamma\in\mathbb{R}$ such that (i) for each $x,y\in X,$ $f(x,y)\leq g(x,y)$ and $g(x,x)\leq\gamma;$ (ii) for each $y\in X,$ $\\{x\in X:f(x,y)>\gamma\\}$ is unionly open in $X$; (iii) for each $x\in X,$ $\\{y\in X:g(x,y)>\gamma\\}$ is $\Gamma$-convex on $X;$ Then 1) there exists a $x_{0}\in X$ such that $f(x_{0},y)\leq\gamma$ for all $y\in X;$ 2) if $\gamma:=\sup_{x\in X}g(x,x)$, then we have inf${}_{x\in X}\sup_{y\in X}f(x,y)\leq\sup_{x\in X}g(x,x).\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Corollary 2 (13) Let $f,$ $g:X\times X\rightarrow\mathbb{R}$ be functions such that (i) for each $x,y\in X,$ $f(x,y)\leq g(x,y)$ and $g(x,x)\leq\gamma;$ (ii) for each $y\in X,$ $f(\cdot,y)$ is g.l.s.c on $X$; (iii) for each $x\in X,$ $f(x,\cdot)$ is quasiconcave on $X;$ Then we have inf${}_{x\in X}\sup_{y\in X}f(x,y)\leq\sup_{x\in X}g(x,x).\vskip 6.0pt plus 2.0pt minus 2.0pt$ ## 3 MULTIOBJECTIVE GAMES Now we consider the multicriteria game (or multiobjective game) in its strategic form. Let $I$ be a finite set of players and for each $i\in I,$ let $X_{i}$ be the set of strategies such that $X=\mathop{\textstyle\prod}\nolimits_{i\in I}X_{i}$ and ($X_{i}$, $D_{i},\Gamma_{i}$ for each $i\in I$) is an abstract convex space with $D_{i}\subset X_{i}$. Let $T^{i}:X\rightarrow 2^{\mathbb{R}^{k_{i}}}$, where $k_{i}\in\mathbb{N}$, which is called the payoff function (or called multicriteria). From Lemma 1, we also have that $(X,D,\Gamma)$ is an abstract convex space, where $X=\mathop{\textstyle\prod}\nolimits_{i\in I}X_{i},$ $D=\mathop{\textstyle\prod}\nolimits_{i\in I}D_{i}$ and $\Gamma(A)=\mathop{\textstyle\prod}\nolimits_{i\in I}\Gamma_{i}(\pi_{i}(A))$ for each $A\in\tciFourier$($D$). Definition 12. The family $G=((X_{i},D_{i},\Gamma_{i}),T^{i})_{i\in I}$ is called multicriteria game. If an action $x:=(x_{1},x_{2},...,x_{n})$ is played, each player $i$ is trying to find his/her payoff function $T^{i}(x):=(T_{1}^{i}(x),...,T_{k_{i}}^{i}(x)),$ which consists of noncommensurable outcomes. We assume that each player is trying to minimize his/her own payoff according with his/her preferences. In order to introduce the equilibrium concepts of a multicriteria game, we need several necessary notation. Notation. We shall denote by $\mathbb{R}_{+}^{m}:=\\{u=(u_{1},u_{2},...u_{m})\in\mathbb{R}^{m}:u_{j}\geq 0$ $\forall j=1,2,...,m\\}$ and int$\mathbb{R}_{+}^{m}:=\\{u=(u_{1},u_{2},...u_{m})\in\mathbb{R}^{m}:u_{j}>0$ $\forall j=1,2,...,m\\}$ the non-negative othant of $\mathbb{R}^{m}$ and respective the non-empty interior of $\mathbb{R}_{+}^{m}$ with the topology induced in terms of convergence of vector with respect to the Euclidian metric. Notation. For each $i\in I,$ denote $X_{-i}:=\mathop{\textstyle\prod}\nolimits_{j\in I\setminus\\{i\\}}X_{j}.$ If $x=(x_{1},x_{2},...,x_{n})\in X,$ we denote $x_{-i}=(x_{1},...,x_{i-1},x_{i+1},...,x_{n})\in X_{-i}.$ If $x_{i}\in X_{i}$ and $x_{-i}\in X_{-i}$, we shall use the notation $(x_{-i},x_{i})=(x_{1},...,x_{i-1},x_{i},x_{i+1},...,x_{n})=x\in X.$ Notation. For each $u,v\in\mathbb{R}^{m}$, $u\cdot v$ denote the standard Euclidian inner product. Let $\widehat{x}=(\widehat{x}_{1},\widehat{x}_{2},...,\widehat{x}_{n})\in X.$ Now we have the following definitions. Definition 13. A strategy $\widehat{x}_{i}\in X_{i}$ of player $i$ is said to be a Pareto efficient strategy (resp., a weak Pareto efficient strategy) with respect to $\widehat{x}\in X$ of the multiobjective game $G=((X_{i},D_{i},\Gamma_{i}),T^{i})_{i\in I}$ if there is no strategy $x_{i}\in X_{i}$ such that $T^{i}(\widehat{x})-T^{i}(\widehat{x}_{-i},x_{i})\in\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}$ (resp., $T^{i}(\widehat{x})-T^{i}(\widehat{x}_{-i},x_{i})\in$int$\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}).\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Remark 1 Each Pareto equilibrium is a weak Pareto equilibrium, but the converse is not always true. Definition 14. A strategy $\widehat{x}\in X$ is said to be a Pareto equilibrium (resp., a weak Pareto equilibrium) of the multiobjective game $G=((X_{i},D_{i},\Gamma_{i}),T^{i})_{i\in I}$ if for each player $i\in I$, $\widehat{x}_{i}\in X_{i}$ is a Pareto efficient strategy (resp., a weak Pareto efficient strategy) with respect to $\widehat{x}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Definition 15. A strategy $\widehat{x}\in X$ is said to be a weighted Nash equilibrium with respect to the weighted vector $W=(W_{i})_{i\in I}$ with $W_{i}=(W_{i,1},W_{i,2},...,W_{i,k_{i}})\in\mathbb{R}_{+}^{k_{i}}$ of the multiobjective game $G=((X_{i},D_{i},\Gamma_{i}),T^{i})_{i\in I}$ if for each player $i\in I$, we have (i) $W_{i}\in\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\};$ (ii) $W_{i}\cdot T^{i}(\widehat{x})\leq W_{i}\cdot T^{i}(\widehat{x}_{-i},x_{i}),$ $\forall x_{i}\in X_{i},$where $\cdot$ denotes the inner product in $\mathbb{R}^{k_{i}}.$ ###### Remark 2 In particular, if $W_{i}\in\mathbb{R}_{+}^{k_{i}}$ with $\mathop{\textstyle\sum}\nolimits_{j=1}^{k_{i}}W_{i,j}=1$ for each $i\in I,$ then the strategy $\widehat{x}\in X$ is said to be a normalized weighted Nash equilibrium with respect to $W.\vskip 6.0pt plus 2.0pt minus 2.0pt$ ## 4 EXISTENCE OF WEIGHTED NASH EQUILIBRIUM AND PARETO NASH EQUILIBRIUM Now, as an application of Theorem 1, we have the following existence theorem of weighted Nash equilibria for multiobjective games. ###### Theorem 4.1 Let $I$ be a finite set of indices, let ($X_{i},D_{i}=X_{i},\Gamma_{i}$)i∈I be any finite family of abstract convex spaces such that the product space ($X,\Gamma$) satisfies the partial KKM principle. If there is a weighted vector $W=(W_{1},W_{2},...,W_{n})$ with $W_{i}\in\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}$ such that the followings are satisfied: (i) for each $y\in X,$ $F(y)=\\{x\in X:\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i}))\leq 0\\}$ is intersectionally closed (respectiv, transfer closed); (ii) there exists $g:X\times X\rightarrow\overline{\mathbb{R}}$ extended real- valued function such that for each $x\in X,$ $g(x,x)\leq 0$ and for each $x\in X,$ co${}_{\Gamma}\\{y\in X:\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i}))>0\\}\subset\\{y\in X:g(x,y)>0\\};$ (iii) the correspondence $F:X\rightarrow 2^{X}$ satisfies the following condition: there exists a nonempty compact subset $K$ of $X$ such that either (a) $K\supset\cap\\{\overline{F(y)}:y\in M\\}$ for some $M\in\tciFourier$($X$); or (b) for each $N\in\tciFourier$($X$), there exists a compact $\Gamma$-convex subset $L_{N}$ of $X$ relative to some $X^{\prime}\subset X$ such that $N\subset X^{\prime}$ and $K\supset L_{N}\cap\cap_{y\in x^{\prime}}\overline{F(y)}\neq\phi;$ then there exists $\widehat{x}\in K$ such that $\widehat{x}$ is a weighted Nash equilibria of the game $G=((X_{i},\Gamma_{i}),T^{i})_{i\in I}$ with respect to $W.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Proof. Define the function $f:X\times X\rightarrow\mathbb{R}$ by $f(x,y)=\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i})),$ $(x,y)\in X\times X.$ By Theorem 1, we have that inf${}_{x\in X}\sup_{y\in X}f(x,y)\leq\sup_{x\in X}g(x,x)=0.$ It follows that there exists an $\widehat{x}\in K$ such that $f(\widehat{x},y)\leq 0$ for any $y\in X.$ That is $\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(\widehat{x}_{-i},\widehat{x}_{i})-T^{i}(\widehat{x}_{-i},y_{i})\leq 0$ for any $y\in X.$ For any given $i\in I$ and any given $y_{i}\in X_{i},$ let $y=(\widehat{x}_{-i},y_{i}).$ Then we have $W_{i}\cdot(T^{i}(\widehat{x}_{-i},\widehat{x}_{i})-T^{i}(\widehat{x}_{-i},y_{i}))=$ $=\mathop{\textstyle\sum}\nolimits_{j=1}^{n}W_{j}\cdot(T^{j}(\widehat{x}_{-i},\widehat{x}_{i})-T^{i}(\widehat{x}_{-i},y_{i}))-\mathop{\textstyle\sum}\nolimits_{j\neq i}W_{j}\cdot(T^{j}(\widehat{x}_{-i},\widehat{x}_{i})-T^{i}(\widehat{x}_{-i},y_{i}))$ $=\mathop{\textstyle\sum}\nolimits_{j=1}^{n}W_{j}\cdot(T^{j}(\widehat{x}_{-i},\widehat{x}_{i})-T^{i}(\widehat{x}_{-i},y_{i}))\leq 0.$ Therefore, we have $W_{i}\cdot(T^{i}(\widehat{x}_{-i},\widehat{x}_{i})-T^{i}(\widehat{x}_{-i},y_{i}))$ $\leq 0$ for each $i\in I$ and $y_{i}\in X_{i},$ that is $\widehat{x}\in K$ is a weighted Nash equilibrium of the game $G$ with respect to $W.\vskip 6.0pt plus 2.0pt minus 2.0pt$ We obtain the following corollaries for the compact games when $X=D$. ###### Corollary 3 Let $I$ be a finite set of indices, let ($X_{i},\Gamma_{i}$)i∈I be any finite family of abstract convex spaces such that the product space ($X,\Gamma$) satisfies the partial KKM principle. If there is a weighted vector $W=(W_{1},W_{2},...,W_{n})$ with $W_{i}\in\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}$ such that the followings are satisfied: (i) there exists $g:X\times X\rightarrow R$ such that for each $x,y\in X,$ $\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i}))\leq g(x,y)$ and $g(x,x)\leq 0;$ (ii) for each $y\in X,$ $\\{x\in X:\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i}))>0\\}$ is unionly open in $X$; (iii) for each $x\in X,$ $\\{y\in X:g(x,y)>0\\}$ is $\Gamma$-convex on $X;$ then there exists $\widehat{x}\in X$ such that $\widehat{x}$ is a weighted Nash equilibria of the game $G=((X_{i},\Gamma_{i}),T^{i})_{i\in I}$ with respect to $W.\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Corollary 4 Let $I$ be a finite set of indices, let ($X_{i},\Gamma_{i}$)i∈I be any finite family of abstract convex spaces such that the product space ($X,\Gamma$) satisfies the partial KKM principle. If there is a weighted vector $W=(W_{1},W_{2},...,W_{n})$ with $W_{i}\in\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}$ such that the followings are satisfied: (i) there exists $g:X\times X\rightarrow R$ such that for each $x,y\in X,$ $\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i}))\leq g(x,y);$ (ii) for each fixed $y\in X,$ the function $x\rightarrow\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i}))$ is g.l.s.c on $X$; (iii) for each fixed $x\in X,$ the function $y\rightarrow\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i}))$ is quasiconcave on $X$; then there exists $\widehat{x}\in X$ such that $\widehat{x}$ is a weighted Nash equilibria of the game $G=((X_{i},\Gamma_{i}),T^{i})_{i\in I}$ with respect to $W.\vskip 6.0pt plus 2.0pt minus 2.0pt$ In order to prove an existence theorem of Pareto equilibria for multiobjective games, we need the following lemma. ###### Lemma 2 (15) Each normalized weighted Nash equilibrium $\widehat{x}\in X$ with a weight $W=(W_{1},W_{2},...,W_{n})$ with $W_{i}\in\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}$ (resp., $W_{i}\in$int$\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\})$ and $\mathop{\textstyle\sum}\nolimits_{j=1}^{k_{i}}W_{i,j}=1$ for each $i\in I,$ for a multiobjective game $G=(X_{i},T^{i})_{i\in I}$ is a weak Pareto equilibrium (resp. a Pareto equilibrium) of the game $G.$ ###### Remark 3 The conclusion of Lemma2 still holds if $\widehat{x}\in X$ is a weighted Nash equilibrium with a weight $W=(W_{1},W_{2},...,W_{n})$, $W_{i}\in\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}$ for $i\in I$(resp., $W_{i}\in$int$\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}$ for $i\in I)$ of the game $G.$ ###### Remark 4 A Pareto equilibrium of $G$ is not necessarily a weighted Nash equilibrium of the game $G.\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Theorem 4.2 Let $I$ be a finite set of indices, let ($X_{i},D_{i}=X_{i},\Gamma_{i}$)i∈I be any finite family of abstract convex spaces such that the product space ($X,\Gamma$) satisfies the partial KKM principle. If there is a weighted vector $W=(W_{1},W_{2},...,W_{n})$ with $W_{i}\in\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}$ such that the followings are satisfied: (i) for each $y\in X,$ $F(y)=\\{x\in X:\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i}))\leq 0\\}$ is intersectionally closed (respectiv, transfer closed); (ii) there exists $g:X\times X\rightarrow\overline{\mathbb{R}}$ extended real- valued function such that for each $x\in X,$ $g(x,x)\leq 0$ and for each $x\in X,$ co${}_{\Gamma}\\{y\in X:\mathop{\textstyle\sum}\nolimits_{i=1}^{n}W_{i}\cdot(T^{i}(x_{-i},x_{i})-T^{i}(x_{-i},y_{i}))>0\\}\subset\\{y\in X:g(x,y)>0\\};$ (iii) the correspondence $F:X\rightarrow 2^{X}$ satisfies the following condition: there exists a nonempty compact subset $K$ of $X$ such that either (a) $K\supset\cap\\{\overline{F(y)}:y\in M\\}$ for some $M\in\tciFourier$($X$); or (b) for each $N\in\tciFourier$($X$), there exists a compact $\Gamma$-convex subset $L_{N}$ of $X$ relative to some $X^{\prime}\subset X$ such that $N\subset X^{\prime}$ and $K\supset L_{N}\cap\cap_{y\in x^{\prime}}\overline{F(y)}\neq\phi;$ then there exists $\widehat{x}\in K$ such that $\widehat{x}$ is a weak Pareto equilibrium of the game $G=((X_{i},D_{i}=X_{i},\Gamma_{i}),T^{i})_{i\in I}.$ In addition, if $W=(W_{1},W_{2},...,W_{n})$ with $W_{i}\in$int$R_{+}^{k_{i}}\backslash\\{0\\}$ for $i\in I,$ then $G$ has at least a Pareto equilibrium point $\widehat{x}\in X.$ Proof. By Theorem 2, $G$ has at least weighted Nash equilibrium point $\widehat{x}\in K$ with respect of the weighted vector $W.$ Lemma 2 and Remark 3 shows that $\widehat{x}$ is also a weak Pareto equilibrium point of $G,$ and a Pareto equilibrium point of $G$ if $W=(W_{1},W_{2},...,W_{n})$ with $W_{i}\in$int$\mathbb{R}_{+}^{k_{i}}\backslash\\{0\\}$ for each $i\in I.$ Acknowledgment: This work was supported by the strategic grant POSDRU/89/1.5/S/58852, Project ”Postdoctoral programme for training scientific researchers” cofinanced by the European Social Found within the Sectorial Operational Program Human Resources Development 2007-2013. The author thanks to Professor João Paulo Costa from the University of Coimbra for the fruitfull discussions and for the hospitality he proved during the visit to his departament. ## References * (1) P. Borm, F. Megen, S. Tijs, A perfectness concept for multicriteria games. Math. Meth. Oper. Res. 49 (1999), 401-412. * (2) S. Chebbi, Existence of Pareto equilibria for non-compact constrained multi-criteria games. J. Appl. An. 14 (2008), 2, 219-226. * (3) K. Fan, A generalization of Tyhonoff’s fixed point theorem. Math. Ann. 142 (1961), 305-310. * (4) K. Fan, A minimax inequality and applications in: O. Shisha (Ed.), Inequalities III, Academic Press, New York, 1972, pp. 103-113. * (5) W. K. Kim, Weight Nash equilibria for generalized multiobjective games. J. Chungcheong Math. Soc. 13 (2000), 1, 13-20. * (6) W. K. Kim, X. P. Ding, On generalized weight Nash equilibria for generalized multiobjective games. J. Korean Math. Soc. 40 (2003), 5, 883-899. * (7) D. T. Luc, E. Sarabi and A. Soubeyran, Existence of solutions in variational relation problems without convexity. J. Math. Anal. Appl. 364 (2010), 544-555. * (8) S. Park, On generalizations of the KKM principle on abstract convex spaces. Nonlinear Anal. Forum 11 (2006), 1, 67–77. * (9) S. Park, Elements of the KKM theory on abstract convex spaces. J. Korean Math. Soc. 45 (2008), 1, 1–27. * (10) S. Park, Generalizations of the Nash EquilibriumTheorem in the KKM Theory. Fixed Point Theory Appl. doi:10.1155/2010/234706 * (11) S. Pak, The KKM principle in abstract convex spaces: equivalent formulations and applications. Nonlinear Anal. 73 (2010), 1028-1042. * (12) S. Park, Generalizations of the Nash Equilibrium Theorem in the KKM Theory. Fixed Point Theory Appl., doi:10.1155/2010/234706. * (13) S. Park, New generalizations of basic theorems in the KKM theory. Nonlinear Anal. 74 (2011), 3000-3010. * (14) M. Voorneveld, S. Grahn, M. Dufwenberg, Ideal equilibria in noncooperative multicriteria games. Math. Meth. Oper. Res. 52 (2000), 65-77. * (15) S. Y. Wang, Existence of a Pareto equilibrium, J. Optim. Theory Appl. 95 (1997), 373-384. * (16) H. Yu, Weak Pareto Equilibria for Multiobjective Constrained games. Appl. Math. Let. 16 (2003), 773-776. * (17) J. Yu, G. X.-Z Yuan, The study of Pareto Equilibria for Multiobjective games by fixed point and Ky Fan Minimax Inequality methods. Computers Math. Applic. 35, (1998), 9, 17-24. * (18) X. Z. Yuan, E. Tarafdar, Non-compact Pareto equilibria for multiobjective games. J. Math. An. Appl. 204 (1996),156-163. * (19) M. Zeleny, Game with multiple payoffs. Internat. J. Game Theory 4 (1976), 179-191.
arxiv-papers
2013-04-01T11:42:57
2024-09-04T02:49:43.703590
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Monica Patriche", "submitter": "Monica Patriche", "url": "https://arxiv.org/abs/1304.0338" }
1304.0339
# Minimax Theorems for Set-valued Maps Without Continuity Assumptions Monica Patriche Abstract. We introduce several classes of set-valued maps with generalized convexity and we obtain minimax theorems for set-valued maps which satisfy the introduced properties and which are not continuous. Our method consists of the use of a fixed-point theorem for weakly naturally quasi-concave set-valued maps defined on a simplex in a topological vector space or of a constant selection of quasi-convex set-valued maps. Key Words. minimax theorems, fixed point theorem, weakly naturally quasi- concave set-valued map, $S$-transfer $\mu$-convex set-valued map, transfer properly $S-$quasi-convex, weakly $z-$convex set-valued map. 2010 Mathematics Subject Classification: 49J35, 90C47. 1\. Introduction The classical Ky Fan inequalities [4], [5], [6] are an undeniably important tool in the study of many important results concerning the variational inequalities, game theory, mathematical economics, control theory and fixed- point theory. e.g., see [1], [2], [7], [8], [10], [13]-[17], [19]-[21], [23], [25]-[32] and the references therein. Within recent years, many generalizations have been successfully obtained and here we must emphasize Ky Fan’s study of minimax theorems for vector-valued mappings and for set-valued maps. We refer the reader, for instance, to Li and Wang [15], Luo [19], Zhang and Li [31], [32], Zhang, Cheng and Li [30]. In [20], Nessah and Tian search the condition concerning the existence of solution of minimax inequalities for real-valued mappings, without convexity and compactness assumptions. They define the local dominatedness property and prove that it is necessary and further, under some mild continuity condition, sufficient for the existence of equilibrium in minimax inequalities. This type of characterization of the solution for minimax theorems leads us to the question whether similar results can be obtained, but, by keeping the convexity assumptions and by giving up the continuity ones over the set-valued maps. We are introduced into the extremely limited literature concerning the minimax theorems for set-valued maps with the opportunity to see the things from a new perspective and to propose coherent answers to the problem of the solution existence. Our results could be particularly designed to identify new methods of proof for this kind of problems and to assess whether the convexity framework can be adapted to set-valued maps with two variables and whether classes of weakened convexity can be implemented, particularly by relying on a mechanism which takes into accont the behaviour of the maps in the points where their values contain or not maximal (resp. minimal) elements of certain sets of type $\mathop{\textstyle\bigcup}\limits_{y\in X}F(x,y)$ or $\mathop{\textstyle\bigcup}\limits_{x\in X}F(x,y).$ In this paper, we study vector minimax inequalities for set-valued maps. We give up the condition of continuity of the set-valued maps and, instead, we work with some new classes of generalized convexity which we introduce: $S$-transfer $\mu$-convexity, transfer properly $S-$quasi-convexity and weakly $z-$convexity. In order to prove our results, we construct a constant selection for a quasi-convex correspondence and we use the fixed point theorem for weakly naturally quasi-concave set-valued maps defined on a simplex in a topological vector space (see [22]). The article is organized as follows. In Section 2, we introduce notations and preliminary results. In Section 3, the convex-type properties for set-valued maps are defined and some exemples are given as well. In Section 4, we obtain two types of Ky Fan minimax inequalities for set-valued maps. We also provide some examples to illustrate our results. Concluding remarks are presented in Section 5. 2\. Preliminaries and Notation We shall use the following notations and definitions: Let $A$ be a subset of a topological space $X.$ $2^{A}$ denotes the family of all subsets of $A$ and $\overline{A}$ denotes the closure of $A$ in $X$. If $A$ is a subset of a vector space, co$A$ denotes the convex hull of $A$. If $F$, $G:X\rightrightarrows Z$ are set-valued maps, then co $G$, $G\cap F:X\rightrightarrows Z$ are set-valued maps defined by $($co $G)(x):=$co $G(x)$ and $(G\cap F)(x):=G(x)\cap F(x)$ for each $x\in X$, respectively. In this paper, we will consider $E$ and $Z$ to be real Hausdorff topological vector spaces and we will assume that $S$ is a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Definition 2.1 (see [11]). Let $A\subset Z$ be a non-empty subset. (i) A point $z\in A$ is said to be a minimal point of $A$ iff $A\cap(z-S)=\\{z\\},$ and Min$A$ denotes the set of all minimal points of $A.$ (ii) A point $z\in A$ is said to be a weakly minimal point of $A$ iff $A\cap(z-$int$S)=\emptyset,$ and Min${}_{w}A$ denotes the set of all weakly minimal points of $A.$ (iii) A point $z\in A$ is said to be a maximal point of $A$ iff $A\cap(z+S)=\\{z\\},$ and Max$A$ denotes the set of all maximal points of $A.$ (iv) A point $z\in A$ is said to be a weakly maximal point of $A$ iff $A\cap(z+$int$S)=\emptyset,$ and Max${}_{w}A$ denotes the set of all weakly maximal points of $A.$ It is easy to check that Min$A\subset$Min${}_{w}A$ and Max$A\subset$Max${}_{w}A.$ Lemma 2.1 (see [7])Let $A\subset Z$ be a non-empty compact subset. Then, (i) Min$A\neq\emptyset;$ (ii) $A\subset$Min$A+S;$ (iii) $A\subset$Min${}_{w}A+$int$S\cup\\{0_{F}\\};$ (iv)Max$A\neq\emptyset;$ (v) $A\subset$Max$A-S;$ (vi) $A\subset$Max${}_{w}A-$int$S\cup\\{0_{F}\\}.$ Notation. If $X$ and $Y$ are sets and $F:X\times X\rightrightarrows Y$ is a set-valued map, we will denote $F(x,X)=\mathop{\textstyle\bigcup}\limits_{y\in X}F(x,y)$ and $F(X,y)=\mathop{\textstyle\bigcup}\limits_{x\in X}F(x,y).$ We present the following types of generalized convex mappings and set-valued maps. Definition 2.2 Let $X$ be a non-empty convex subset of a topological vector space $E,$ $Z$ a real topological vector space and $S$ a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\rightrightarrows Z$ be a set-valued map with non-empty values. (i) $F$ is said to be (in the sense of [12 , Definition 3.6]) type-(iii) properly $S-$quasi-convex on $X$ (see [9]), iff for any $x_{1},x_{2}\in X$ and $\lambda\in[0,1],$ either $F(x_{1})\subset F(\lambda x_{1}+(1-\lambda)x_{2})+S$ or $F(x_{2})\subset F(\lambda x_{1}+(1-\lambda)x_{2})+S.$ (ii) $F$ is said to be (in the sense of [12 , Definition 3.6]) type-(v) properly $S-$quasi-convex on $X$ (see [9]), iff for any $x_{1},x_{2}\in X$ and $\lambda\in[0,1],$ either $F(\lambda x_{1}+(1-\lambda)x_{2})\subset F(x_{1})-S$ or $F(\lambda x_{1}+(1-\lambda)x_{2})\subset F(x_{2})-S.$ If $-F$ is a type-(iii) [resp. type-(v)] $S-$properly quasiconvex set-valued map, then, $F$ is said be type-(iii) [resp. type-(v)] $S-$properly quasi- concave, which is equivalent to type-(iii) [resp. type-(v)] $(-S)$-properly quasi-convex set valued map. (iii) $F:X\rightrightarrows Y$ is said to be (in the sense of [12 , Definition 3.6]) type-(iii) _naturally S-quasi-convex_ on $X$, iff for any $x_{1}$,$x_{2}\in X$ and $\lambda\in[0,1],$ co$(F(x_{1})\cup F(x_{2}))\subset$ $F(\lambda x_{1}+(1-\lambda)x_{2})+S$. iv) $F:X\rightrightarrows Y$ is said to be (in the sense of [12 , Definition 3.6]) type-(v) _naturally S-quasi-convex_ on $X$, iff for any $x_{1}$,$x_{2}\in X$ and $\lambda\in[0,1],$ $F(\lambda x_{1}+(1-\lambda)x_{2})\subset$co$(F(x_{1})\cup F(x_{2}))-S$. $F$ is said to be type-(iii) [resp. type-(v)] naturally $S-$quasi-concave on $X$, iff $-F$ is type-(iii) [resp. type-(v)] naturally $S-$quasi-convex on $X.$ (v) $F:X\rightrightarrows Y$ is said to be _S-quasi-convex_ on $X$ (see [24]), iff for any $x_{1}$,$x_{2}\in X$ and $\lambda\in[0,1],$ ($F(x_{1})+S)\cap(F(x_{2})+S)\subset$ $F(\lambda x_{1}+(1-\lambda)x_{2})+S$. (vi) $F$ is quasi-convex $X$ [24] iff, for each $n$ and for every $x_{1},x_{2},...,x_{n}\in X,$ $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1},$ $\mathop{\textstyle\bigcap}\limits_{i=1}^{n}F(x_{i})\subset F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i}).$ $F$ is said to be quasi-concave on $X$, iff $-F$ is quasi-convex on $X.$ Definition 2.3 (see [26]) Let $X$ be a non-empty convex subset of a topological vector space $E$, let $Y$ be a subset of a topological vector space $Z$ and $S$ a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ A vector-valued mapping $f:X\rightarrow Y$ is said to be natural __ $S-$quasi-convex on $X$ iff $f(\lambda x_{1}+(1-\lambda)x_{2})\in$co$\\{f(x_{1}),f(x_{2})\\}-S$ for every $x_{1},x_{2}\in X$ and $\lambda\in[0,1].$ This condition is equivalent with the following condition: there exists $\mu\in[0,1]$ such that $f(\lambda x_{1}+(1-\lambda)x_{2})\leq_{S}\mu f(x_{1})+(1-\mu)f(x_{2}),$ where $x\leq_{S}y$ $\Leftrightarrow$ $y-x\in S.$ A vector-valued mapping f is said to be _natural_ $S-$_quasi-concave_ on $X$ if $-f$ is natural quasi $S-$convex on $X$. Notation. We will denote by $\Delta_{n-1}$ the standard (n-1)-dimensional simplex in $R^{n},$ that is $\Delta_{n-1}=\left\\{(\lambda_{1},\lambda_{2},...,\lambda_{n})\in R^{n}:\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}=1\text{ and }\lambda_{i}\geqslant 0,i=1,2,...,n\right\\}.$ In this paper, we will also use the following notation: $C^{\ast}(\Delta_{n-1})=\\{g=(g_{1},g_{2},...,g_{n}):\Delta_{n-1}\rightarrow\Delta_{n-1}$ where $g_{i}$ is continuous, $g_{i}(1)=1$ and $g_{i}(0)=0$ for each $i\in\\{1,2,...,n\\}\\}$ Definition 2.4 (see [3]) Let $X$ be a non-empty convex subset of a topological vector space $E$ and $Y$ a non-empty subset of $E$. The set-valued map $F:X\rightrightarrows Y$ is said to have _weakly convex graph_ (in short, it is a WCG correspondence) if, for each $n\in N$ and for each finite set $\\{x_{1},x_{2},...,x_{n}\\}\subset X$, there exists $y_{i}\in F(x_{i})$, $(i=1,2,...,n)$ such that $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ (1.1)\ \ \ \ \ $co$(\\{(x_{1},y_{1}),(x_{2},y_{2}),...,(x_{n},y_{n})\\})\subset$Gr$(F)$ The relation (1.1) is equivalent to $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ (1.2)\ \ \ \ \overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}y_{i}\in F(\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}x_{i})\ \ \ \ \ \ \ (\forall(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}).$ In [22] we introduced the concept of weakly naturally quasi-concave set-valued map. Definition 2.5 (see [22])Let $X$ be a non-empty convex subset of a topological vector space $E$ and $Y$ a non-empty subset of a topological vector space $Z$. The set-valued map $F:X\rightrightarrows Y$ is said to be _weakly naturally quasi-concave (WNQ)_ iff, for each $n$ and for each finite set $\\{x_{1},x_{2},...,x_{n}\\}\subset X$, there exists $y_{i}\in F(x_{i})$, $(i=1,2,...,n)$ and $g\in C^{\ast}(\Delta_{n-1})$ such that $\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}g_{i}(\lambda_{i})y_{i}\in F(\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}x_{i})$ for every $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}.$ Remark 2.1 If $g_{i}(\lambda_{i})=\lambda_{i}$ for each $i\in(1,2,...,n)$ and $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1},$ we get a set- valued map with weakly convex graph, as it is defined by Ding and He Yiran in [3]. In the same time, the weakly naturally quasi-concavity is a weakening of the notion of naturally S-quasi-concavity with $S=\\{0\\}.$ Remark 2.2 If $F$ is a single-valued mapping, then, it must be natural $S$-quasiconcave for $S=\\{0\\}.$ Example 2.1 (see [22]) Let $F:[0,4]\rightrightarrows[-2,2]$ be defined by $F(x)=\left\\{\begin{array}[]{c}[0,2]\text{ if }x\in[0,2);\\\ [-2,0]\text{ \ \ if \ }x=2;\\\ (0,2]\text{ if }x\in(2,4].\end{array}\right.$ $F$ is neither upper semicontinuous, nor lower semicontinuous in $2.$ $F$ has not either got a weakly convex graph, since, if we consider $n=2,$ $x_{1}=1$ and $x_{2}=3,$ we have that co$\\{(1,y_{1}),(3,y_{2})\\}\nsubseteq$Gr$F,$ for every $y_{1}\in F(x_{1}),y_{2}\in F(x_{2}).$ We notice that $F$ is not naturally $\\{0\\}-$quasi-concave, but it is weakly naturally quasi-concave. We proved in [22] the following fixed point theorem. Theorem 2.1 (see [22])Let $Y$ be a non-empty subset of a topological vector space $E$ and $K$ be a $(n-1)$\- dimensional simplex in $E$. Let $F:K\rightrightarrows Y$ be an weakly naturally quasi-concave set-valued map and $s:Y\rightarrow K$ be a continuous function. Then, there exists $x^{\ast}\in K$ such that $x^{\ast}\in s\circ F(x^{\ast})$. 3\. Set-valued Maps with Generalized Convexity In this section, we introduce several classes of cone convexity in order to generalize the requirements for results concerning minimax inequalities. Concerning the minimax problems we consider in this paper, we must underline the behaviour importance of the set-valued maps $F(\cdot,\cdot):X\times X\rightarrow Y$ in the points where their values contain or not maximal (resp. minimal) elements of the certain sets of type $\mathop{\textstyle\bigcup}\limits_{y\in X}F(x,y)$ or $\mathop{\textstyle\bigcup}\limits_{x\in X}F(x,y)$. We obtain the new definitions through transferring the convexity properties of the maps from a variable to another and by taking into consideration the maximal (resp. minimal) elements. The reasons for our conception of generalized convex set- valued maps come from the motivating work in the framework of minimax theory, where the new properties prove to be necessary in order to obtain results by giving up the continuity assumptions. We firstly define the $S-$transfer $\mu-$convexity. Definition 3.1 Let $X$ be a convex set of a topological vector space $E,$ let $Y$ be a non-empty set in the topological vector space $Z$ and let $F:X\times X\rightrightarrows Y$ be a set valued map with non-empty values. $F$ is called $S-$transfer type-(v) $\mu-$convex in the first argument on $X\times X$ iff, for each $n\in N$, $x_{1},x_{2},...,x_{n}\in X$ and $z\in X,$ we have that, for each $i\in\\{1,2,...,n\\},$ there exists $z_{i}=z_{i}(x_{1},x_{2},...,x_{n},z)\in X$ such that: i) $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap(\mathop{\textstyle\bigcup}_{y\in X}F(x_{i},y))\subset F(x_{i},z_{i})-S$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$ with the property that $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},y)\neq\emptyset$ or, ii) $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap(\mathop{\textstyle\bigcup}_{y\in X}F(x_{i},y))\subset F(x_{i},z_{i})-$int$S$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$ with the property that $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},y)=\emptyset.$ $F$ is called $S-$transfer type-(v) $\mu-$concave in the first argument on $X\times X$ if $-F$ is $S-$transfer type-(v) $\mu-$convex in the first argument on $X\times X.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Remark 3.1 We can similarily define the $S-$transfer type-(iii) $\mu-$convex set-valued maps. Example 3.1 Let $X=[0,1],$ $Y=[-1,1],$ $S=[0,\infty)$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[-1,y]\text{ if }0\leq x\leq y\leq 1;\\\ [-x,y]\text{ if }0\leq y<x\leq 1.\end{array}\right.$ We will prove that $F$ is $S-$transfer type-(v) $\mu-$convex in the first argument. Let $x_{1},x_{2},...,x_{n}\in X$ and $z\in Y.$ For each $i\in\\{1,2,...,n\\},$ $\mathop{\textstyle\bigcup}_{y\in X}F(x_{i},y)=[-1,1].$ Moreover, by computing, we obtain Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(x_{i},y)=\\{1\\}$ and $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)=\left\\{\begin{array}[]{c}[-1,z]\text{ \ \ \ \ \ \ \ if \ \ \ \ \ \ }0\leq\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i}\leq z\leq 1;\\\ [-\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z]\text{ if }0\leq z<\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i}\leq 1.\end{array}\right.$ For each $i\in\\{1,2,...,n\\},$ there exists $z_{i}\in Y,$ $z_{i}\geq\max\\{z,x_{i}\\},$ so that $F(x_{i},z_{i})=[-1,z_{i}]$ and then: i) if $z=1,$ $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(x_{i},y)=F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap\\{1\\}\neq\emptyset$ and $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\subset F(x_{i},z_{i})-S$ or ii) if $z<1,$ $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(x_{i},y)=F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap\\{1\\}=\emptyset$ and $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\subset F(x_{i},z_{i})-$int$S$ Remark 3.2 The $S-$transfer type-(v) $\mu-$convexity in the first argument is implied by the following property, which we call $\alpha:$ $(\alpha):$ For each $x\in X,$ $A_{x}=\cup_{y\in X}F(x,y)$ is compact and there exists $z_{x}\in Z$ such that $z_{x}\in$Max$\cup_{y\in X}F(x,y)$ and $\cup_{y\in X}F(x,y)\subset z_{x}-S.$ We note that according to Lemma 2.1, $\cup_{y\in X}F(x,y)\subset$Max$\cup_{y\in X}F(x,y)-S.$ The $S-$transfer type-(v) $\mu-$concavity in the second argument is implied by the following property $\alpha^{\prime}:$ $(\alpha^{\prime}):$ For each $y\in X,$ $A_{y}=\cup_{x\in X}F(x,y)$ is compact and there exists $z_{y}\in Z$ such that $z_{y}\in$Max$\cup_{x\in X}F(x,y)$ and $\cup_{x\in X}F(x,y)\subset z_{y}+S.$ The set valued map from Example 3.1 verifies the property $\alpha$. The condition $\alpha$ is not fulfilled in the next example. Example 3.2 Let $S((0,0),x)=\\{(u,v)\in[-1,1]\times[-1,1]:u^{2}+v^{2}\leq x^{2}\\},$ $S_{+}((0,0),x)=\\{(u,v)\in[0,1]\times[-1,1]:u^{2}+v^{2}\leq x^{2}\\}$ and $S_{-}((0,0),x)=\\{(u,v)\in[-1,0]\times[-1,1]:u^{2}+v^{2}\leq x^{2}\\}.$ Let us define $F:[0,1]\times[0,1]\rightrightarrows[-1,1]\times[-1,1]$ by $F(x,y)=\left\\{\begin{array}[]{c}S((0,0),1)\text{ \ \ \ \ if \ \ \ \ }x=1\text{ \ \ \ \ and }y\in[0,1].\\\ S_{+}((0,0),x)\text{ \ if }0<x<1\text{ \ and \ }x\leq y\leq 1;\\\ S_{-}((0,0),x)\text{ \ \ \ \ \ \ \ \ \ \ if \ \ \ \ \ \ \ \ \ \ \ }0<y<x<1;\\\ \\{(0,0)\\}\text{ \ \ \ \ \ \ if }x=0\text{ \ \ \ \ \ and \ \ \ \ \ }y\in[0,1].\end{array}\right.$ $F$ is $R_{+}^{2}$-transfer type-(v) $\mu$ convex in the first argument. The Definition 3.1 can be weakened in the following way. Definition 3.2 Let $X$ be a convex set of a topological vector space $E,$ let $Y$ be a non-empty set in the topological vector space $Z$ and let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. $F$ is called $S-$transfer weakly type-(v) $\mu-$convex in the first argument on $X\times X$ iff, for each $n\in N$, $x_{1},x_{2},...,x_{n}\in X$ and $z\in X,$ we have that, there exist $i_{0}\in\\{1,2,...,n\\}$ and $z_{i_{0}}=z_{i_{0}}(x_{1},x_{2},...,x_{n},z)\in X$ such that: i) $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap(\mathop{\textstyle\bigcup}_{y\in X}F(x_{i_{0}},y))\subset F(x_{i_{0}},z_{i_{0}})-S$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$ with the property that $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},y)\neq\emptyset$ or, ii) $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap(\mathop{\textstyle\bigcup}_{y\in X}F(x_{i_{0}},y))\subset F(x_{i_{0}},z_{i_{0}})-$int$S$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$ with the property that $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},y)=\emptyset.$ $F$ is called $S-$transfer weakly type-(v) $\mu-$concave in the first argument on $X\times X$ if $-F$ is $S-$transfer weakly type-(v) $\mu-$convex in the first argument on $X\times X.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Remark 3.3.We can similarily define the $S$-transfer weakly type-(iii) $\mu$ convex set-valued maps. Remark 3.4. If $F:X\times X\rightarrow Z$ is type-(v) properly $S-$quasi- convex in the first argument, then, $F$ is $S$-transfer weakly type-(v) $\mu$ convex in the first argument. Indeed, let $x_{1},x_{2},...,x_{n}\in X$ and $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$. We have that $F(\mathop{\textstyle\sum}\limits_{i=1}^{n}\lambda_{i}x_{i},y)\subset F(x_{i_{0}},y)-S$ for each $\lambda\in\Delta_{n-1}$, $y\in X$ and an idex $i_{0}\in\\{1,2,...,n\\}.$ Then, for each $z\in X,$ there exists $z_{i_{0}}=z$ such that $F(\mathop{\textstyle\sum}\limits_{i=1}^{n}\lambda_{i}x_{i},z)\cap(\mathop{\textstyle\bigcup}\limits_{z\in X}F(x_{i_{0}},z))\subset F(x_{i_{0}},z_{i_{0}})-S.$ Consequently, the notion of $S-$transfer weakly type-(v) $\mu-$convexity is weaker than the type-(v) properly $S-$quasi-convexity and, in certain cases, it is implied by the property $\alpha.$ Example 3.3 Let $X=[0,1],$ $Y=[-1,1],$ $S=[0,\infty)$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[0,y]\text{ if }0\leq x\leq y\leq 1;\\\ [-x,y]\text{ if }0\leq y<x\leq 1.\end{array}\right.$ $F$ is $S-$transfer weakly type-(v) $\mu-$convex in the first argument. Now, we are introducing a similar definition for single valued mappings. Definition 3.3 Let $X$ be a convex set of a topological vector space $E$ and let $Y$ be a non-empty set in the topological vector space $Z.$ The mapping $f:X\times X\rightarrow Y$ is called $S-$transfer $\mu-$convex in the first argument on $X\times X$ iff, for each $n\in N$, $x_{1},x_{2},...,x_{n}\in X$ and $z\in X,$ we have that, for each $i\in\\{1,2,...,n\\},$ there exists $z_{i}=z_{i}(x_{1},x_{2},...,x_{n},z)\in X$ such that, if $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\in\mathop{\textstyle\bigcup}_{y\in X}f(x_{i},y)$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1},$ the following condition is fulfilled: i) $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\in f(x_{i},z_{i})-S$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$ with the property that $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\in$Max${}_{w}(\mathop{\textstyle\bigcup}_{y\in X}f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},y))$ or, ii) $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\in f(x_{i},z_{i})-$int$S$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$ with the property that $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\notin$Max${}_{w}(\mathop{\textstyle\bigcup}_{y\in X}F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},y)).$ The mapping $f$ is called $S-$transfer $\mu-$concave in the first argument on $X\times X$ iff $-f$ is $S-$transfer $\mu-$convex in the first argument on $X\times X.$ Example 3.4 Let $X=[0,1],$ $Y=[-1,0],$ $S=[0,\infty)$ and $f:X\times X\rightarrow Y$ be defined by $f(x,y)=\left\\{\begin{array}[]{c}1\text{ if }0\leq x\leq y\leq 1;\\\ x\text{ if }0\leq y<x\leq 1.\end{array}\right.$ We will prove that $f$ is $S-$transfer $\mu-$convex in the first argument. Let $x_{1},x_{2},...,x_{n},z\in X.$ For each $i\in\\{1,2,...,n\\},$ $\mathop{\textstyle\bigcup}_{y\in X}f(x_{i},y)=\\{x_{i},1\\},$ Maxw $\mathop{\textstyle\bigcup}_{y\in X}f(x_{i},y)=\\{1\\}$ and we have that, for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1},$ if $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\in\\{x_{i},1\\},$ there exists $z_{i}\in Y,$ $z_{i}\geq\max\\{z,x_{i}\\},$ so that $f(x_{i},z_{i})=1,$ and then: i) if $z=1$ and $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)=1$ for $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1},$ we have that $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\in f(x_{i},z_{i})-S$ or, ii) if $z<1$ and $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\neq 1$ for $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1},$ we have that $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\in f(x_{i},z_{i})-$int$S.\vskip 6.0pt plus 2.0pt minus 2.0pt$ The next notion is stronger than the properly $S-$quasi-convexity and it is adapted for set-valued maps with two variables. We consider pairs of points in the product space $X\times X$. We keep constant one component and we consider any convex combination of the other ones. By comparing the images of $F$ in all these pairs of points, we obtain the following definition. Definition 3.4 Let $X$ be a non-empty convex subset of a topological vector space $E,$ $Z$ a real topological vector space and $S$ a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\rightrightarrows Z$ be a set-valued map with non-empty values. (i) $F$ is said to be type-(iii) pair properly $S-$quasi-convex on $X\times X$ in the first argument, iff, for any $(x_{1},y_{1}),(x_{2},y_{2})\in X\times X$ and $\lambda\in[0,1],$ either $F(x_{1},y_{1})\subset F(\lambda x_{1}+(1-\lambda)x_{2},y_{1})+S$ or $F(x_{2},y_{2})\subset F(\lambda x_{1}+(1-\lambda)x_{2},y_{2})+S.$ (ii) $F$ is said to be type-(v) pair properly $S-$quasi-convex on $X\times X$ in the first argument, iff, for any $(x_{1},y_{1}),(x_{2},y_{2})\in X\times X$ and $\lambda\in[0,1],$ either $F(\lambda x_{1}+(1-\lambda)x_{2},y_{1})\subset F(x_{1},y_{1})-S$ or $F(\lambda x_{1}+(1-\lambda)x_{2},y_{2})\subset F(x_{2},y_{2})-S.$ (iii) $F$ is said to be type-(iii) [resp. type-(v)] pair properly $S-$quasi- concave on $X$ in the first argument, iff, $-F$ is type-(iii) [resp. type-(v)] pair properly $S-$quasi-convex in the first argument on $X.$ (iv) $F$ is said to be pair properly quasi-convex iff for any $(x_{1},y_{1}),(x_{2},y_{2})\in X\times X$ and $\lambda\in[0,1],$ either $F(x_{1},y_{1})\subset F(\lambda x_{1}+(1-\lambda)x_{2},y_{1})$ or $F(x_{2},y_{2})\subset F(\lambda x_{1}+(1-\lambda)x_{2},y_{2}).$ $\mathit{F}$ is said to be pair properly quasi-concave if $-F$ is pair properly $S-$quasi-convex. Example 3.5 Let $X=[0,1],$ $Y=[-1,1],$ $S=[0,\infty)$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[-1,1]\text{ if }0\leq x\leq y\leq 1;\\\ [-x,1]\text{ if }0\leq y<x\leq 1.\end{array}\right.$ $F$ is type-(iii) pair properly quasi-concave in the second argument on $X.$ Remark 3.5. $S-$transfer $\mu-$convexity does not imply pair properly $S-$quasi-convexity. The set valued map from Example 3.2 is $R_{+}^{2}-$transfer type-(v) $\mu-$convex in the first argument, but it is not type-(v) pair properly $R_{+}^{2}-$quasi-convex in the first argument. If we consider $(x_{1},y_{1})=(\frac{1}{15},\frac{9}{10}),$ $(x_{2},y_{2})=(\frac{1}{4},\frac{1}{5})$ and $x_{0}=\frac{1}{5}\in$co$\\{x_{1},x_{2}\\},$ then, $F(x_{1},y_{1})=S_{+}((0,0),\frac{1}{15}),$ $F(x_{2},y_{2})=S_{-}((0,0),\frac{1}{4}),$ $F(x_{0},y_{1})=S_{+}((0,0),\frac{1}{5})$ and $F(x_{0},y_{2})=S_{+}((0,0),\frac{1}{5}).$ It follows that neither $F(x_{0},y_{1})\subset F(x_{1},y_{1})-R_{+}^{2},$ nor $F(x_{0},y_{2})\subset F(x_{2},y_{2})-R_{+}^{2}$ and then, $F$ is not type-(v) pair properly $R_{+}^{2}-$quasi-convex in the first argument. Conversely, the pair properly $S-$quasi-convexity does not imply $S-$transfer $\mu-$convexity. The following example is concludent in this respect. Example 3.6. For each $(x,y)\in[0,1]\times[0,1],$ let us define $S((0,y),x)=\\{(u,v)\in R^{2}\times R^{2}:u^{2}+(v-y)^{2}\leq x^{2}\\}$ and $S((y,0),x)=\\{(u,v)\in\in R^{2}\times R^{2}:(u-y)^{2}+v^{2}\leq x^{2}\\}.$ Let $S=R_{+}^{2}$ and $F:[0,1]\times[0,1]\rightrightarrows[-2,2]\times[-2,2]$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}S((0,y),x)\text{ \ \ \ \ if \ \ }(x,y)\in[0,1]\times([0,1]\cap Q);\\\ S((y,0),x)\text{ if }(x,y)\in[0,1]\times([0,1]\cap(R\backslash Q)).\end{array}\right.$ The set valued map $F$ is type-(v) pair properly $R_{+}^{2}-$quasi-convex in the first argument, but it is not $R_{+}^{2}-$transfer type-(v) $\mu-$convex in the first argument. Indeed, let us consider first $(x_{1},y_{1})$ and $(x_{2},y_{2})\in[0,1].$ Without loss of generalization, we can assume that $x_{1}\leq x(\lambda)\leq x_{2}$ for each $\lambda\in[0,1]$, where $x(\lambda)=\lambda x_{1}+(1-\lambda)x_{2}.$ Consequently, $F(x(\lambda),y_{2})\subset F(x_{2},y_{2})-S$ and $F$ is type-(v) pair properly $R_{+}^{2}-$quasi-convex in the first argument. In order to prove the second assertion, let us consider $x_{1},x_{2}\in[0,1]$ and $x(\lambda)=\lambda x_{1}+(1-\lambda)x_{2},$ where $\lambda\in[0,1].$ For $i=1,2$ and $y=0$ the following equality holds: $F(x(\lambda),0)\cap\mathop{\textstyle\bigcup}\limits_{y\in[0,1]}F(x_{i},y)=$ $(F(x(\lambda),0)\cap\mathop{\textstyle\bigcup}\limits_{y\in[0,1]\cap Q}F(x_{i},y))\cup(F(x(\lambda),0)\cap\mathop{\textstyle\bigcup}\limits_{y\in[0,1]\cap(R\backslash Q)}F(x_{i},y))$ and there is not any $z_{i}\in[0,1]$ such that $F(x(\lambda),0)\cap\mathop{\textstyle\bigcup}\limits_{y\in[0,1]}F(x_{i},y)\subset F(x_{i},z_{i})-R_{+}^{2}.$ We conclude that $F$ is not $R_{+}^{2}-$transfer type-(v) $\mu-$convex in the first argument. For single valued mappings, the next definition is proposed. Definition 3.5 Let $X$ be a nonempty convex subset of a topological vector space $E,$ $Z$ a real topological vector space and $S$ a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $f:X\rightarrow Z$ be a set-valued map with non-empty values. (i) $f$ is said to be pair properly $S-$quasi-convex on $X\times X$ in the first argument, iff, for any $(x_{1},y_{1}),(x_{2},y_{2})\in X\times X$ and $\lambda\in[0,1],$ either $f(x_{1},y_{1})\subset f(\lambda x_{1}+(1-\lambda)x_{2},y_{1})+S$ or $f(x_{2},y_{2})\subset f(\lambda x_{1}+(1-\lambda)x_{2},y_{2})+S.$ $f$ is said to be pair properly $S-$quasi-concave in the first argument on $X\times X$, iff $-f$ is properly $S-$quasi-convex in the first argument on $X\times X.$ The usual naturally $S-$quasi-convexity requirement in the minimax inequalities for set-valued maps can be weakened. In the definition we propose below, we take into consideration the bahaviour of the set-valued maps in the points where their values do not contain minimal (resp. maximal) points of some certain sets of $\mathop{\textstyle\bigcup}_{y\in X}F(x,y)$ or $\mathop{\textstyle\bigcup}_{x\in X}F(x,y)$ types. Definition 3.6 Let $X$ be a convex set of a topological vector space $E,$ let $Y$ be a non-empty set in the topological vector space $Z$ and let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. i) $F$ is called transfer type-(iii) properly $S-$quasi-convex in the first argument on $X\times X$ iff, for each elements $x_{1},x_{2},z\in X,$ $\lambda\in(0,1)$ and $i\in\\{1,2\\}$, the following condition is fulfilled: $F(\lambda x_{1}+(1-\lambda)x_{2},z)\cap$Min${}_{w}(\mathop{\textstyle\bigcup}_{y\in X}F(x_{i},y))=\emptyset$ implies that $F(x_{i},z)\subset F(\lambda x_{1}+(1-\lambda)x_{2},z)+S$. ii) $F$ is called transfer type-(v) properly $S-$quasi-convex in the first argument on $X\times X$ iff, for each elements $x_{1},x_{2},z\in X,$ $\lambda\in(0,1)$ and $i\in\\{1,2\\}$, the following condition is fulfilled: $F(\lambda x_{1}+(1-\lambda)x_{2},z)\cap$Min${}_{w}(\mathop{\textstyle\bigcup}_{y\in X}F(x_{i},y))=\emptyset$ implies $F(\lambda x_{1}+(1-\lambda)x_{2},z)\subset F(x_{i},z)-S$. $F$ is called transfer type-(iii) [resp.type-(v)] properly $S-$quasi-concave in the first argument on $X\times X$ if $-F$ is transfer type-(iii) [resp.type-(v)] properly $S-$quasi-convex in the first argument on $X\times X.$ Remark 3.6. If $F(\cdot,y)$ is naturally $S-$quasi-convex for each $y\in X,$ then, $F$ is transfer properly $S-$quasi-convex in the first argument on $X\times X.$ Remark 7. If $F$ is transfer properly $S-$quasi-convex in the first argument on $X\times X,$ then, $F$ is $S-$transfer weakly $\mu-$convex in the first argument. Conversely, it is not true. The set-valued map $F$ defined in Example 3.2 is $S-$transfer weakly (type-v) $\mu-$convex in the first argument, but it is not type-(v) transfer properly $S-$quasi-convex. Example 3.7 Let $X=[0,1],$ $Y=[-1,1],$ $S=[0,\infty)$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[0,y]\text{ if }0\leq x\leq y\leq 1;\\\ [-x,y]\text{ if }0\leq y<x\leq 1.\end{array}\right.$ We prove that $F(\cdot,y)$ is type-(iii) naturally $S-$quasi-concave on $X$ (and then, $F$ is transfer type-(iii) properly $S-$quasi-concave in the first argument on $X\times X$). Let $y\in[0,1]$ be fixed, $x_{1},x_{2}\in[0,1]$, $\lambda\in[0,1]$ and $x(\lambda)=\lambda x_{1}+(1-\lambda)x_{2}$. 1) If $x_{1}\geq x_{2}\geq y,$ then, $F(x_{1},y)=[-x_{1},y],$ $F(x_{2},y)=[-x_{2},y]$, $F(x(\lambda),y)=[-x(\lambda),y]$ and co{$F(x_{1},y),F(x_{2},y)\\}=[-x_{1},y]\subset[-x(\lambda),y]-[0,\infty)=F(x(\lambda),y)-[0,\infty);$ 2) if $x_{1}\leq x_{2}\leq y,$ then, $F(x_{1},y)=[0,y],$ $F(x_{2},y)=[0,y]$, $F(x(\lambda),y)=[0,y]$ and co{$F(x_{1},y),F(x_{2},y)\\}=[0,y]\subset[0,y]-[0,\infty)=F(x(\lambda),y)-[0,\infty);$ 3) if $x_{1}\geq y\geq x_{2},$ then, $F(x_{1},y)=[-x_{1},y]$, $F(x_{2},y)=[0,y]$ and co{$F(x_{1},y),F(x_{2},y)\\}=[-x_{1},y];$ if $x_{1}\geq x(\lambda)\geq y\geq x_{2},$ then, $F(x(\lambda),y)=[-x(\lambda),y]$ and co{$F(x_{1},y),F(x_{2},y)\\}=[-x_{1},y]\subset[-x(\lambda),y]-[0,\infty)=F(x(\lambda),y)-[0,\infty);$ if $x_{1}\geq y\geq x(\lambda)\geq x_{2},$ then, $F(x(\lambda),y)=[0,y]$ and co{$F(x_{1},y),F(x_{2},y)\\}=[-x_{1},y]\subset[0,y]-[0,\infty)=F(x(\lambda),y)-[0,\infty).$ The usual properly $S-$quasi-convexity assumption in the minimax theorems with set-valued maps can be also generalized. In order to obtain necessary conditions in our results, we introduce the following definitions. Definition 3.7 Let $X$ be a convex set of a topological vector space $E,$ let $Y$ be a non-empty set in the topological vector space $Z$ and let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. $F$ satisfies the condition $\gamma$ on $X\times X$ iff: $(\gamma)$ there exist $n\in N,$ $(x_{1},y_{1}),(x_{2},y_{2}),...,(x_{n},y_{n})\in X\times X$, $y^{\ast}\in$co$\\{x_{1},x_{2},...,x_{n}\\}$ such that $F(x_{i},y_{i})\subset F(x_{i},y^{\ast})-S$ and $F(x_{i},y_{i})\cap$Max${}_{w}\cup_{z\in X}F(x_{i},z)\neq\emptyset$ for each $i\in\\{1,2,...,n\\}$. Example 3.8 Let $X=[0,1],$ $Y=[-1,1],$ $S=[0,\infty)$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[0,y]\text{ if }0\leq x\leq y\leq 1;\\\ [-x,y]\text{ if }0\leq y<x\leq 1.\end{array}\right.$ We prove that $F(x,\cdot)$ satisfies the condition $\gamma.$ In fact, there exist $(x_{1},y_{1})=(0,1),$ $(x_{2},y_{2})=(1,1)\in X\times X$ such that $F(x_{i},y_{i})\cap$Max${}_{w}\cup_{z\in X}F(x_{i},z)\neq\emptyset,$ $i=1,2.$ There also exists $y^{\ast}=1\in$co$\\{x_{1},x_{2}\\}$ such that $[0,1]=F(x_{1},y_{1})\subset F(x_{1},y^{\ast})-[0,\infty)$ and $[0,1]=F(x_{2},y_{2})\subset F(x_{2},y^{\ast})-[0,\infty).$ Definition 3.8 Let $X$ be a convex set of a topological vector space $E,$ let $Y$ be a non-empty set in the topological vector space $Z$ and let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. $F$ satisfies the condition $\gamma^{\prime}$ on $X\times X$ iff: $(\gamma^{\prime})$ there exist $n\in N,$ $(x_{1},y_{1}),(x_{2},y_{2}),...,(x_{n},y_{n})\in X\times X$ and $x^{\ast}\in$co$\\{y_{1},y_{2},...,y_{n}\\}$ such that $F(x_{i},y_{i})\subset F(x_{i},y^{\ast})+S$ and $F(x_{i},y_{i})\cap$Min${}_{w}\cup_{x\in X}F(x,y_{i})\neq\emptyset$ for each $i\in\\{1,2,...,n\\}$. 4\. Minimax Theorems for Set-valued Maps without Continuity In this section, we establish some generalized Ky Fan minimax inequalities. Firstly, we are proving the following lemma, which is comparable with Lemma 3.1 in [32], but our result does not involve continuity assumptions. Instead, we use several generalized convexity properties for set-valued maps introduced in Section 3. Lemma 4.1 will be used to prove the minimax Theorem 4.1. Lemma 4.1 Let $X$ be a (n-1) dimensional simplex of a Hausdorff topological vector space $E,$ $Y$ a compact set in the Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. (i) Let us suppose that $\mathop{\textstyle\bigcup}_{y\in X}F(x,y)$ is a compact set for each $x\in X$. If $F$ is $S-$transfer type-(v) $\mu-$convex in the first argument on $X\times X$, $F$ is type-(iii) pair properly quasi- concave in the second argument on $X\times X$ and $F(\cdot,y)$ is type-(iii) naturally $S-$quasi-concave on $X$ for each $y\in X,$ then, there exists $x^{\ast}\in X$ such that $F(x^{\ast},x^{\ast})\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(x^{\ast},y)\neq\emptyset.$ (ii) Suppose that $\mathop{\textstyle\bigcup}_{x\in X}F(x,y)$ is a compact set for each $y\in X$. If $F$ is transfer type-(v) $\mu-$concave in the second argument on $X\times X,$ $F$ is type-(iii) pair properly quasi-convex in the first argument on $X\mathit{\times X}$ and $F(x,\cdot)$ is type-(iii) naturally $S-$quasi-convex on $X$ for each $x\in X,$ then, there exists $y^{\ast}\in X$ such that $F(y^{\ast},y^{\ast})\cap$Min${}_{w}\cup_{x\in X}F(x,y^{\ast})\neq\emptyset.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Proof. (i) Let us define the set-valued map $T:X\rightrightarrows X$ by $T(x)=\\{y\in X:F(x,y)\cap$Max${}_{w}\cup_{z\in X}F(x,z)\neq\emptyset\\}$ for each $x\in X.$ We claim that $T$ is non-empty valued. Indeed, since $\cup_{z\in X}F(x,z)$ is a compact set for each $x\in X,$ according to Lemma 2.1, Max${}_{w}\cup_{z\in X}F(x,z)\neq\emptyset.$ For each $x\in X,$ let $z_{x}\in$Max${}_{w}\cup_{z\in X}F(x,z).$ Then, there exists $y_{x}\in X$ such that $z_{x}\in F(x,y_{x}).$ It is clear that $y_{x}\in T(x)=\\{y\in X:F(x,y)\cap$Max${}_{w}\cup_{z\in X}F(x,z)\\}$ and, consequently, $T(x)\neq\emptyset$ for each $x\in X.$ Further,we will prove that $T$ is weakly naturally quasi-concave. Let $x_{1},x_{2},...,x_{n}\in X.$ For each $i\in 1,...,n,$ there exists $y_{i}\in T(x_{i})$, that is $F(x_{i},y_{i})\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{z\in X}F(x_{i},z)\neq\emptyset.$ By contrary, we assume that $T$ is not weakly naturally quasi-concave. Then, for each $g\in C^{\ast}(\Delta_{n-1})$, there exists $\lambda^{g}=(\lambda_{1}^{g},\lambda_{2}^{g},...,\lambda_{n}^{g})\in\Delta_{n-1}$ such that $\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i}\notin T(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i}),$ relation which is equivalent with the following one: $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})\cap$Max${}_{w}\cup_{z\in X}F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},z)=\emptyset.$ Since the set-valued map $F$ is $S-$transfer type-(v) $\mu-$convex in the first argument and $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})\cap$Max${}_{w}F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},X)=\emptyset$, it follows that, for each $i\in\\{1,2,...,n\\},$ there exists the element $z_{i_{0}}\in X$ such that the following relation is fulfilled: $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})\cap(\mathop{\textstyle\bigcup}_{z\in X}F(x_{i},z))\subset F(x_{i},z_{i_{0}})-$int$S.$ Let $t_{i}\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})\cap(\mathop{\textstyle\bigcup}_{z\in X}F(x_{i},z))$ and $u_{i}\in F(x_{i},z_{i_{o}})$ such that $t_{i}=u_{i}-s_{i},$ $s_{i}\in$int$S.$ It follows that $u_{i}\in\mathop{\textstyle\bigcup}_{z\in X}F(x_{i},z)\cap\\{t_{i}+$int$S\\}\neq\emptyset,$ that is $t_{i}\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})\cap(\mathop{\textstyle\bigcup}_{z\in X}F(x_{i},z))$ implies the fact that $t_{i}\notin$Max${}_{w}\cup_{z\in X}F(x_{i},z).$ Consequently, we have that, for each index $i\in\\{1,2,...,n\\},$ $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})\cap$Max${}_{w}\cup_{z\in X}F(x_{i},z)=\emptyset.$ We claim that $F(x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})\cap$Max${}_{w}\cup_{z\in X}F(x_{i},z)=\emptyset$ for each $i\in\\{1,2,...,n\\}.$ Indeed, if, by contrary, we assume that there exists $i_{0}\in\\{1,2,...,n\\}$ and $t\in F(x_{i_{0}},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})$ such that $t\in$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z),$ then, it is true that $t\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})-S$ (1) and $t\in$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z)$ (2). According to (1), we have $t=t^{\prime}-s_{0},$ where $t^{\prime}\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})$ and $s_{0}\in S,$ therefore $t^{\prime}=t+s_{0}\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i}).$ According to the relation (2), $\cup_{z\in X}F(x_{i_{0}},z)\cap\\{t+$int$S\\}=\emptyset.$ Consequently, $t^{\prime}+s\notin\cup_{z\in X}F(x_{i_{0}},z)$ if $s\in$int$S$ (we take into account that $t^{\prime}+s=t+(s_{0}+s)\in t+$int$S).$ Then, $\cup_{z\in X}F(x_{i_{0}},z)\cap\\{t^{\prime}+$int$S\\}=\emptyset,$ which implies $t^{\prime}\in$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z).$ Thus, we have that $t^{\prime}\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{g}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})\cap$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z),$ which is a contradiction. It remains that $F(x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}(\lambda_{i}^{g})y_{i})\cap$Max${}_{w}\cup_{z\in X}F(x_{i},z)=\emptyset$ for each $i\in\\{1,2,...,n\\}.$ Since $F$ is type-(iii) pair properly quasi-concave in the second argument on $X\times X,$ there exists $j\in\\{1,2,...,n\\}$ such that $F(x_{j},y_{j})\cap$Max${}_{w}\cup_{z\in X}F(x_{j},z)=\emptyset,$ which contradicts the assumption about $(x_{j},y_{j})$. According toTheorem 2.1, there exists $x^{\ast}\in T(x^{\ast}),$ that is, $F(x^{\ast},x^{\ast})\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(x^{\ast},y)\neq\emptyset.$ (ii) Let us define the set-valued map $Q:X\rightrightarrows X$ by $Q(y)=\\{x\in X:F(x,y)\cap$Min${}_{w}\cup_{x\in X}F(x,y)\neq\emptyset\\}$ for each $y\in X.$ Further, the proof follows a similar line as above and we conclude that there exists $y^{\ast}\in Q(y^{\ast}),$ that is, $F(y^{\ast},y^{\ast})\cap$Min${}_{w}\cup_{x\in X}F(x,y^{\ast})\neq\emptyset.$ $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \square$ Remark 4.1. The $S-$transfer type-(v) $\mu-$convexity of $F$ in the first argument on $X\times X$ is verified by all real-valued set valued maps which fulfill the property that $\mathop{\textstyle\bigcup}_{y\in X}F(x,y)$ is a compact set for each $x\in X$. This fact is a consequence of Remark 3.1. As a first application of the previous lemma, we obtain the following result, which differs from Theorem 3.1 in [32] becose we only take into consideration the hypothesis which concern convexity properties of set-valued maps. No form of continuity is assumed. Theorem 4.1 Let $X$ be a (n-1) dimensional simplex of a Hausdorff topological vector space $E,Y$ be a compact set in a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. i) Suppose that $\mathop{\textstyle\bigcup}_{y\in X}F(x,y)$ is a compact set for each $x\in X$. If the set-valued map $F$ is $S-$transfer type-(v) $\mu-$convex in the first argument on $X\times X$, type-(iii) pair properly quasi-concave in the second argument on $X\times X$ and $F(\cdot,y)$ is type-(iii) naturally $S-$quasi-concave on $X$ for each $y\in X,$ then, there exist the elements $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $z_{1}\in z_{2}+S.$ ii) Suppose that $\mathop{\textstyle\bigcup}_{x\in X}F(x,y)$ is a compact set for each $y\in X$. If the set-valued map $F$ is $S-$transfer type-(v) $\mu-$concave in the second argument on $X\times X,$ type-(iii) pair properly quasi-convex in the first argument on $X\times X$ and $F(x,\cdot)$ is type-(iii) naturally $S-$quasi-convex on $X$ for each $x\in X,$ then, there exist the elements $z_{1}\in$Min$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}$ such that $z_{1}\in z_{2}-S.$ Proof. i) According to Lemma 4.1, there exists $x^{\ast}\in X$ such that $F(x^{\ast},x^{\ast})\cap$ Max${}_{w}\cup_{y\in X}F(x^{\ast},y)\neq\emptyset.$ We have $F(x^{\ast},x^{\ast})\subset\overline{\cup_{x\in X}F(x,x)}$ and, according to Lemma 2.1, it follows that $\overline{\cup_{x\in X}F(x,x)}\subset$Max $\overline{\cup_{x\in X}F(x,x)}-S,$ so that, $F(x^{\ast},x^{\ast})\subset$Max$\overline{\cup_{x\in X}F(x,x)}-S.$ On the other hand, Max${}_{w}\cup_{y\in X}F(x^{\ast},y)\subset\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ and, according to Lemma 2.1, it follows that $\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}\subset$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}+S,$ so that, Max${}_{w}\cup_{y\in X}F(x^{\ast},y)\subset$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}+S.$ Hence, for every $u\in F(x^{\ast},x^{\ast})$ and $v\in$Max${}_{w}\cup_{y\in X}F(x^{\ast},y),$ there exist the elements $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $u\in z_{1}-S$ and $v\in z_{2}+S.$ If we take $u=v,$ we have $z_{1}\in z_{2}+S.$ ii) According to Lemma 4.1, there exists $y^{\ast}\in X$ such that $F(y^{\ast},y^{\ast})\cap$ Min${}_{w}\cup_{x\in X}F(x,y^{\ast})\neq\emptyset.$ We have $F(y^{\ast},y^{\ast})\subset\overline{\cup_{x\in X}F(x,x)}$ and, according to Lemma 2.1, it follows that $\overline{\cup_{x\in X}F(x,x)}\subset$Min $\overline{\cup_{x\in X}F(x,x)}+S,$ so that, $F(y^{\ast},y^{\ast})\subset$Min$\overline{\cup_{x\in X}F(x,x)}+S.$ On the other hand, Min${}_{w}\cup_{x\in X}F(x,y^{\ast})\subset\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}$ and, according to Lemma 2.1, it follows that $\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}\subset$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}-S,$ consequently, Min${}_{w}\cup_{x\in X}F(x,y^{\ast})\subset$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}-S.$ Hence, for every $u\in F(y^{\ast},y^{\ast})$ and $v\in$Min${}_{w}\cup_{x\in X}F(x,y^{\ast}),$ there exist the elements $z_{1}\in$Min$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}$ such that $u\in z_{1}+S$ and $v\in z_{2}-S.$ If we take $u=v,$ we have $z_{1}\in z_{2}-S.$ $\square$ An important version of Theorem 4.1 is obtained in the case when the set- valued map has the property $\alpha$ (resp.$\alpha^{\prime}).$ Theorem 4.2 Let $X$ be a (n-1) dimensional simplex of a Hausdorff topological vector space $E,Y$ be a compact set in a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with nonempty values. i) Suppose that $F$ satisfies the property $\alpha.$ If $F$ is type-(iii) pair properly quasi-concave in the second argument on $X\times X$ and $F(\cdot,y)$ is type-(iii) naturally $S-$quasi-concave on $X$ for each $y\in X,$ then, there exist the elements $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $z_{1}\in z_{2}+S.$ ii) Suppose that $F$ satisfies the property $\alpha^{\prime}.$ If $F$ is type-(iii) pair properly quasi-convex in the first argument on $X\times X$ and $F(x,\cdot)$ is type-(iii) naturally $S-$quasi-convex on $X$ for each $x\in X,$ then, there exist the elements $z_{1}\in$Min$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}$ such that $z_{1}\in z_{2}-S.$ Example 4.1 Let $S=-R_{+}^{2}$, and for each $x\in[0,1],$ let $S^{\ast}((0,0),x)=\\{(u,v)\in[0,1]\times[0,1]:u^{2}\times v^{2}\leq x^{2}\\}$ and $F:[0,1]\times[0,1]\rightrightarrows[0,1]\times[0,1]$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}\\{(0,0)\\}\text{ \ \ \ \ for each\ \ \ }0\leq x\leq y\leq 1;\\\ S^{\ast}((0,0),x)\text{ for each }0\leq y<x\leq 1.\end{array}\right.$ We notice that $F$ is not continuous on $X.$ a) $F$ is $-R_{+}^{2}-$transfer type-(v) $\mu-$convex in the first argument. Let $x_{1},x_{2},...,x_{n}\in[0,1]$ and $z\in[0,1].$ For each $i\in\\{1,2,...,n\\},$ there exists $z_{i}=z_{i}(x_{1},x_{2},...,x_{n},z)\geq\max_{i=1,2,...,n}x_{i}\in[0,1]$ such that $F(x_{i},z_{i})=\\{(0,0)\\}$ for each $i=1,2,...n$ and then, $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},z)\cap(\mathop{\textstyle\bigcup}_{y\in X}F(x_{i},y))\subset\\{(0,0)\\}-(-R_{+}^{2})$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$. It follows that $F$ is $-R_{+}^{2}-$transfer type-(v) $\mu-$convex in the first argument on $[0,1]\times[0,1].$ b) $F$ is type-(iii) pair properly $-R_{+}^{2}-$quasiconcave in the second argument on $[0,1]\times[0,1].$ Let us consider $(x_{1},y_{1}),$ $(x_{2},y_{2})\in[0,1]\times[0,1]$ and let us assume, without loss of generalization, that $y_{1}\leq y(\lambda)\leq y_{2}$ for each $\lambda\in[0,1],$ where $y(\lambda)=\lambda y_{1}+(1-\lambda)y_{2}.$ $F(x_{1},y_{1})=\left\\{\begin{array}[]{c}\\{(0,0)\\}\text{ \ \ \ \ \ \ \ \ \ \ \ \ \ \ for each\ \ \ \ \ \ \ \ \ \ \ }0\leq x_{1}\leq y_{1}\leq 1;\\\ S^{\ast}((0,0),x_{1})\text{ \ \ \ \ \ \ \ \ for each \ \ \ \ \ \ \ \ }0\leq y_{1}<x_{1}\leq 1,\end{array}\right.$ $F(x_{2},y_{2})=\left\\{\begin{array}[]{c}\\{(0,0)\\}\text{ \ \ \ for each\ \ \ \ \ \ }0\leq x_{2}\leq y_{2}\leq 1;\\\ S^{\ast}((0,0),x_{2})\text{ \ for each }0\leq y_{2}<x_{2}\leq 1\end{array}\right.$, $F(x_{1},y(\lambda))=\left\\{\begin{array}[]{c}\\{(0,0)\\}\text{\ \ \ \ \ for each\ \ \ \ \ }0\leq x_{1}\leq y(\lambda)\leq 1;\\\ S^{\ast}((0,0),x_{1})\text{ for each }0\leq y(\lambda)<x_{1}\leq 1;\end{array}\right.$ $F(x_{2},y(\lambda))=\left\\{\begin{array}[]{c}\\{(0,0)\\}\text{ \ \ \ \ for each\ \ \ \ }0\leq x_{2}\leq y(\lambda)\leq 1;\\\ S^{\ast}((0,0),x_{2})\text{ for each }0\leq y(\lambda)<x_{2}\leq 1.\end{array}\right.$ b1) If $x_{1}\leq y_{1}\leq y(\lambda),$ then, $F(x_{1},y_{1})=\\{(0,0)\\},$ $F(x_{1},y(\lambda))=\\{(0,0)\\};$ b2) if $y_{1}\leq y(\lambda)<x_{1},$ then, $F(x_{1},y_{1})=S^{\ast}((0,0),x_{1}),$ $F(x_{1},y(\lambda))=S^{\ast}((0,0),x_{1});$ b3) if $y_{1}<x_{1}\leq y(\lambda),$ then, $F(x_{1},y_{1})=S^{\ast}((0,0),x_{1}),$ $F(x_{1},y(\lambda))=\\{(0,0)\\}.$ Then, $F(x_{1},y_{1})\subset F(x_{1},y(\lambda))-(-R_{+}^{2})$ for each $\lambda\in[0,1].$ c) We prove that $F(\cdot,y)$ is type-(iii) naturally $-R_{+}^{2}-$quasiconcave on $[0,1]$ for each $y\in[0,1].$ Let $y\in[0,1]$ be fixed, $x_{1},x_{2}\in[0,1]$, $\lambda\in[0,1]$ and $x(\lambda)=\lambda x_{1}+(1-\lambda)x_{2}$. c1) If $x_{1}\geq x_{2}>y,$ $F(x_{1},y)=S^{\ast}((0,0),x_{1}),$ $F(x_{2},y)=S^{\ast}((0,0),x_{2})$, $F(x(\lambda),y)=S^{\ast}((0,0),x(\lambda))$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=S^{\ast}((0,0),x_{1})\subset S^{\ast}((0,0),x(\lambda))-(-R_{+}^{2})=F(x(\lambda),y)-(-R_{+}^{2});$ c2) if $x_{1}\leq x_{2}\leq y,$ $F(x_{1},y)=\\{(0,0)\\},$ $F(x_{2},y)=\\{(0,0)\\}$, $F(x(\lambda),y)=\\{(0,0)\\}$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=\\{(0,0)\\}\subset F(x(\lambda),y)-(-R_{+}^{2});$ c3) if $x_{1}>y\geq x_{2},$ then, $F(x_{1},y)=S^{\ast}((0,0),x_{1}),$ $F(x_{2},y)=\\{(0,0)\\}$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=S^{\ast}((0,0),x_{1});$ if $x_{1}\geq x(\lambda)>y\geq x_{2},$ then, $F(x(\lambda),y)=S^{\ast}((0,0),x(\lambda))$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=S^{\ast}((0,0),x_{1})\subset F(x(\lambda),y)-(-R_{+}^{2});$ if $x_{1}>y\geq x(\lambda)\geq x_{2},$ then, $F(x(\lambda),y)=\\{(0,0)\\}$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=S^{\ast}((0,0),x_{1})\subset\\{(0,0)\\}-(-R_{+}^{2})=F(x(\lambda),y)-(-R_{+}^{2}).$ The following equality is true: $\cup_{y\in X}F(x,y)=S^{\ast}((0,0),x)$ and, consequently, $\cup_{y\in X}F(x,y)$ is a compact set. All the assumptions of Theorem 4.2 are fulfilled, then, there exist the elements $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $z_{1}\in z_{2}+(-R_{+}^{2}).$ In our case, $\cup_{x\in X}F(x,x)=\\{(0,0)\\},$ Max$\overline{\cup_{x\in X}F(x,x)}=\\{(0,0)\\},$ Max${}_{w}F(x,X)=\\{(0,0)\\}$ and Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}=\\{(0,0)\\}.$ Then, taking $z_{1}=(0,0)$ and $z_{2}=(0,0),$ we have that $z_{1}\in z_{2}+(-R_{+}^{2}).$ Considering Remark 4.2, we obtain the following result as a consequence of Theorem 4.2, for the real-valued maps case. Corollary 4.1 Let $X$ be a (n-1) dimensional simplex of a Hausdorff topological vector space $E,Y$ a compact set in $\mathit{R}$ and let $S$ be a pointed closed convex cone in $R$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. i) Suppose that $\mathop{\textstyle\bigcup}_{y\in X}F(x,y)$ is a compact set for each $x\in X$. If $F$ is type-(iii) pair properly quasi-concave in the second argument on $X\times X$ and $F(\cdot,y)$ is type-(iii) naturally $S-$quasi-concave on $X$ for each $y\in X,$ then, there exist $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $z_{1}\in z_{2}+S.$ ii) Suppose that $\mathop{\textstyle\bigcup}_{x\in X}F(x,y)$ is a compact set for each $y\in X$. If $F$ is type-(iii) pair properly quasi-convex in the first argument on $X\times X$ and $F(x,\cdot)$ is type-(iii) naturally $S-$quasi-convex on $X$ for each $x\in X,$ then, there exist $z_{1}\in$Min$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}$ such that $z_{1}\in z_{2}-S.$ Example 4.2 Let $X=[0,1],$ $Y=[-1,1],$ $S=[0,\infty)$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[-1,1]\text{ if }0\leq x\leq y\leq 1;\\\ [-x,1]\text{ if }0\leq y<x\leq 1.\end{array}\right.$ We notice that $F$ is not continuous on $X$ and it is $S-$transfer type-(v) $\mu-$convex in the first argument. a) In Example 3.5 we have seen that $F$ is type-(iii) pair properly quasiconcave in the second argument on $X\times X.$ b) We prove that $F(\cdot,y)$ is type-(iii) naturally $S-$quasiconcave on $X$ for each $y\in X.$ Let $y\in[0,1]$ be fixed, $x_{1},x_{2}\in[0,1]$, $\lambda\in[0,1]$ and $x(\lambda)=\lambda x_{1}+(1-\lambda)x_{2}$. b1) If $x_{1}\geq x_{2}\geq y,$ $F(x_{1},y)=[-x_{1},1],$ $F(x_{2},y)=[-x_{2},1]$, $F(x(\lambda),y)=[-x(\lambda),1]$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=[-x_{1},1]\subset[-x(\lambda),1]-[0,\infty)=F(x(\lambda),y)-[0,\infty);$ b2) if $x_{1}\leq x_{2}\leq y,$ $F(x_{1},y)=[-1,1],$ $F(x_{2},y)=[-1,1]$, $F(x(\lambda),y)=[-1,1]$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=[-1,1]\subset[-1,1]-[0,\infty)=F(x(\lambda),y)-[0,\infty);$ b3) if $x_{1}\geq y\geq x_{2},$ then, $F(x_{1},y)=[-x_{1},1],$ $F(x_{2},y)=[-1,1]$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=[-1,1];$ if $x_{1}\geq x(\lambda)\geq y\geq x_{2},$ then, $F(x(\lambda),y)=[-x(\lambda),1]$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=[-1,1]\subset[-x(\lambda),1]-[0,\infty)=F(x(\lambda),y)-[0,\infty);$ if $x_{1}\geq y\geq x(\lambda)\geq x_{2},$ then, $F(x(\lambda),y)=[-1,1]$ and co$\\{F(x_{1},y)\cup F(x_{2},y)\\}=[-1,1]\subset[-1,1]-[0,\infty)=F(x(\lambda),y)-[0,\infty).$ The following equalities are true: $\cup_{y\in X}F(x,y)=\cup_{y<x}[-x,1]\cup\cup_{y\geq x}[-1,1]=[-x,1]\cup[-1,1]=[-1,1]$ and, consequently, $\cup_{y\in X}F(x,y)$ is a compact set. All the assumptions of Corollary 4.1 are fulfilled, then, there exist the elements $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $z_{1}\in z_{2}+S.$ In our case, $\cup_{x\in X}F(x,x)=[-1,1],$ Max$\overline{\cup_{x\in X}F(x,x)}=\\{1\\},$ Max${}_{w}F(x,X)=\\{1\\}$ and Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}=\\{1\\}.$ Then, taking $z_{1}=1$ and $z_{2}=1,$ we have that $z_{1}\in z_{2}+S.$ The next corollary is a particular case of Theorem 4.1. Corollary 4.2 Let $X$ be a (n-1) dimensional simplex of a Hausdorff topological vector space $E,$ $Y$ be a compact set in a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $f:X\times X\rightarrow Y$ be a vector- valued mapping. i) Suppose that $\mathop{\textstyle\bigcup}_{y\in X}f(x,y)$ is a compact set for each $x\in X$. If the mapping $f$ is $S-$transfer $\mu-$convex in the first argument on $X\times X$, pair properly quasi-concave in the second argument on $X\mathit{\times X}$ and $f(\cdot,y)$ is naturally $S-$quasi- concave on $X$ for each $y\in X,$ then, there exist $z_{1}\in$Max$\overline{\cup_{x\in X}f(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}f(x,X)}$ such that $z_{1}\in z_{2}+S.$ ii) Suppose that $\mathop{\textstyle\bigcup}_{x\in X}f(x,y)$ is a compact set for each $y\in X$. If the mapping $f$ is $S$ transfer $\mu-$concave in the second argument on $X\times X$, pair properly quasi-convex in the first argument on $X\times X$ and $f(x,\cdot)$ is naturally $S$ quasi-convex on $X$ for each $x\in X,$ then, there exist $z_{1}\in$Min$\overline{\cup_{x\in X}f(x,x)}$ and $z_{2}\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}f(X,y)}$such that $z_{1}\in z_{2}-S.$ We search to weaken the assumptions from Lemma 4.1, especially the $S-$transfer $\mu-$convexity (resp. $S-$transfer $\mu-$concavity) and the naturally $S-$quasi-concavity (resp. naturally $S-$quasi-convexity), but another proving method needs to be used: we build a constant selection for a set-valued map. This change requires a new condition instead of pair quasi- convexity (resp. pair quasi-concavity), a condition we called $\gamma$ (resp. $\gamma^{\prime}$). Under the condition $\gamma$ (resp.$\gamma^{\prime}$), the assumption of transfer properly $S-$quasi-concavity (resp. transfer properly $S-$quasi-convexity) proves to be necessary. The next Lemma is the key used in order to obtain Theorem 4.3. Lemma 4.2 Let $X$ be a convex set in a Hausdorff topological vector space $E,$ $Y$ a compact set in the Hausdorff topological vector space $Z$ and let $S$ a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. (i) Suppose that $\mathop{\textstyle\bigcup}_{y\in X}F(x,y)$ is a compact set for each $x\in X$. If $F$ is $S-$transfer weakly type-(v) $\mu-$convex in the first argument on $X\times X$, transfer type-(iii) properly $S-$quasi-concave in the first argument on $X\times X$ and satisfies the condition $\gamma,$ then there exists $x^{\ast}\in X$ such that $F(x^{\ast},x^{\ast})\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(x^{\ast},y)\neq\emptyset.$ (ii) Suppose that $\mathop{\textstyle\bigcup}_{x\in X}F(x,y)$ is a compact set for each $y\in X$. If $F$ is transfer weakly type-(v) $\mu-$concave in the second argument on $X\times X$, transfer type-(iii) properly $S-$quasi-convex in the second argument on $X\times X,$ and satisfies the condition $\gamma^{\prime}$, then, there exists $y^{\ast}\in X$ such that $F(y^{\ast},y^{\ast})\cap$Min${}_{w}\cup_{x\in X}F(x,y^{\ast})\neq\emptyset.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Proof. Let us define the set-valued map $T:X\rightrightarrows X$ by $T(x)=\\{y\in X:F(x,y)\cap$Max${}_{w}\cup_{z\in X}F(x,z)\neq\emptyset\\}$ for each $x\in X.$ We claim that $T$ is non-empty valued. Indeed, since $\cup_{z\in X}F(x,z)$ is a compact set for each $x\in X,$ by Lemma 2.1, Max${}_{w}\cup_{z\in X}F(x,z)\neq\emptyset.$ For each $x\in X,$ let $z_{x}\in$Max${}_{w}\cup_{z\in X}F(x,z).$ Then, there exists $y_{x}\in X$ such that $z_{x}\in F(x,y_{x}).$ It is clear that, $y_{x}\in T(x)=\\{y\in X:F(x,y)\cap$Max${}_{w}\cup_{z\in X}F(x,z)\neq\emptyset\\}$ and consequently, $T(x)\neq\emptyset$ for each $x\in X.$ Since $F$ satisfies the condition $\gamma$, there exist $n\in N,$ $(x_{1},y_{1}),(x_{2},y_{2})...,(x_{n},y_{n})\in X\times X$ and $y^{\ast}\in$co$\\{x_{i}:i=1,2,...,n\\}$ such that $F(x_{i},y_{i})\subset F(x_{i},y^{\ast})-S$ and $F(x_{i},y_{i})\cap$Max${}_{w}\cup_{z\in X}F(x_{i},z)\neq\emptyset$ for each $i\in\\{1,2,...,n\\}.$ Let us fix $i_{0}\in\\{1,2,...,n\\}.$ There exists $t_{i_{0}}\in F(x_{i_{0}},y_{i_{0}})\cap$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z).$ This means that $t_{i_{0}}\in F(x_{i_{0}},y_{i_{0}})$ and $\cup_{z\in X}F(x_{i_{0}},z)\cap(t_{i_{0}}+$int$S)=\emptyset.$ There exists $t_{i_{0}}^{\prime}\in F(x_{i_{0}},y^{\ast})$ and $s_{i_{0}}\in S$ such that $t_{i_{0}}^{\prime}=t_{i_{0}}+s_{i_{0}}.$ Therefore, $t_{i_{0}}^{\prime}\in\cup_{z\in X}F(x_{i_{0}},z)$ and, for each $s^{\prime}\in$int$S,$ $(t_{i_{0}}^{\prime}+s^{\prime})\cap\cup_{z\in X}F(x_{i_{0}},z)=(t_{i_{0}}+s_{i_{0}}+s^{\prime})\cap\cup_{z\in X}F(x_{i_{0}},z)=\emptyset.$ It follows that $(t_{i_{0}}^{\prime}+$int$S)\cap\cup_{z\in X}F(x_{i_{0}},z)=\emptyset$, and, since $t_{i_{0}}^{\prime}\in\cup_{z\in X}F(x_{i_{0}},z),$ we have that $t_{i_{0}}\in F(x_{i_{0}},y^{\ast})\cap$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z).$ We showed that $y^{\ast}\in T(x_{i_{0}}),$ and, since $i_{0}$ is arbitrary and $y^{\ast}\in$co$\\{x_{i}:i=1,2,...,n\\}$, then, $y^{\ast}\in\mathop{\textstyle\bigcap}\limits_{i=1}^{n}T(x_{i})\cap$co$\\{x_{i}:i=1,2,...,n\\}.$ Hence, $\mathop{\textstyle\bigcap}\limits_{i=1}^{n}T(x_{i})$ is non-empty. Further, we will prove that $T$ is quasi-convex. By contrary, we assume that $T$ is not quasi-convex. Then, suppose that there exists $z^{\ast}\in\mathop{\textstyle\bigcap}\limits_{i=1}^{n}T(x_{i})$ and $\lambda^{\ast}\in\Delta_{n-1}$ such that $z^{\ast}\notin T(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i}),$ that is $F(x_{i},z^{\ast})\cap$Max${}_{w}\cup_{z\in X}F(x_{i},z)\neq\emptyset$ for each $i\in\\{1,2,...,n\\}$ and $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})\cap$Max${}_{w}\cup_{z\in X}F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z)=\emptyset.$ Since $F$ is $S-$transfer weakly type-(v) $\mu-$convex in the first argument and we also have $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{z\in X}F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z)=\emptyset$, it follows that, there exists $i_{0}\in I$ and $z_{i_{0}}\in X$ such that $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})\cap(\mathop{\textstyle\bigcup}_{z\in X}F(x_{i_{0}},z))\subset F(x_{i_{0}},z_{i_{0}})-$int$S.$ Let $t\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})\cap(\mathop{\textstyle\bigcup}_{z\in X}F(x_{i_{0}},z))$ and let $u_{i_{0}}\in F(x_{i_{0}},z_{i_{o}})$ such that $t=u_{i_{0}}-s_{i_{0}},$ $s_{i_{0}}\in$int$S.$ Since $t\in F(x_{i_{0}},z_{i_{0}})-$int$S,$ it follows that $u_{i_{0}}\in\mathop{\textstyle\bigcup}_{z\in X}F(x_{i_{0}},z)\cap\\{t+$int$S\\}\neq\emptyset,$ that is $t\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})\cap(\mathop{\textstyle\bigcup}_{z\in X}F(x_{i_{0}},z))$ implies the fact that $t\notin$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z).$ Consequently, $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})\cap$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z)=\emptyset.$ We claim that $F(x_{i_{0}},z^{\ast})\cap$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z)=\emptyset.$ On the contrary, we assumethat there exists $t\in F(x_{i_{0}},z^{\ast})$ such that $t\in$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z).$ Since $F$ is transfer type-(iii) properly $S-$quasi-concave in the first argument, then, $t\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})-S.$ We have $t=t^{\prime}-s_{0},$ where $t^{\prime}\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})$ and $s_{0}\in S,$ therefore $t^{\prime}=t+s_{0}\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})$. Since $t\in$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z),$ $F(x_{i_{0}},z)\cap\\{t+$int$S\\}=\emptyset.$ For each $s\in$int$S,$ $t^{\prime}+s=t+s_{0}+s\in t+$int$S$, which implies $t^{\prime}+s\notin F(x_{i_{0}},z)$, that is, $F(x_{i_{0}},z)\cap\\{t^{\prime}+$int$S\\}=\emptyset,$ or, equivalently, $t^{\prime}\in$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z).$ We obtained $t^{\prime}\in F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z^{\ast})\cap$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z),$ which is a contradiction. It remains that $F(x_{i_{0}},z^{\ast})\cap$Max${}_{w}\cup_{z\in X}F(x_{i_{0}},z)=\emptyset,$ and then, $z^{\ast}\notin T(x_{i_{0}}),$ which contradicts $z^{\ast}\in\mathop{\textstyle\bigcap}\limits_{i=1}^{n}T(x_{i})$. Therefore, $T$ is quasi-convex. We proved that there exist the elements $x^{\ast},x_{1},x_{2},...,x_{n}\in X$ such that $x^{\ast}\in\mathop{\textstyle\bigcap}\limits_{i=1}^{n}T(x_{i})\cap$co$\\{x_{i}:i=1,2,...,n\\}\subset T(x)$ for each $x\in$co$\\{x_{i}:i=1,2,..,n\\}$, then, $x^{\ast}\in T(x^{\ast}),$ that is, $F(x^{\ast},x^{\ast})\cap$Max${}_{w}\mathop{\textstyle\bigcup}_{y\in X}F(x^{\ast},y)\neq\emptyset.$ (ii) Let us define the set-valued map $Q:X\rightrightarrows X$ by $Q(y)=\\{x\in X:F(x,y)\cap$Min${}_{w}\cup_{x\in X}F(x,y)\neq\emptyset\\}$ for each $y\in X.$ Further, the proof follows a similar line as above and we conclude that there exists $y^{\ast}\in Q(y^{\ast}),$ that is, $F(y^{\ast},y^{\ast})\cap$Min${}_{w}\mathop{\textstyle\bigcup}_{x\in X}F(x,y^{\ast})\neq\emptyset.\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \square\vskip 6.0pt plus 2.0pt minus 2.0pt$ Remark 4.2. The transfer type-(iii) properly $S-$quasiconcavity in the first argument of $F$ is a necessary condition for Lemma 4.2 i). In the following example, we have that $F$ satisfies the condition $\gamma$, it is not transfer type-(iii) properly $S-$quasiconcave in the first argument and the conclusion of Lemma 4.2 i) is not fulfilled. Let $X=[0,1],$ $Y=[0,1]$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[0,1]\text{ if }(x,y)\in[\frac{1}{4},\frac{3}{4}]\times\\{1\\}\cup([0,\frac{1}{4}]\cup[\frac{3}{4},1])\times\\{\frac{1}{2}\\};\\\ \\{(0\\}\text{ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ otherwise.}\end{array}\right.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Remark 4.3. The two assumptions from Lemma 4.2 i), namely, the $S-$transfer weakly type-(v) $\mu-$convexity in the first argument and the transfer type-(iii) properly $S-$quasiconcavity of $F$ in the first argument on $X\times X,$ imply the following: for each $x_{1},x_{2},...,x_{n}\in X$ and $z\in X$ , there exists $\lambda^{\ast}\in\Delta_{n-1},$ $i_{o}\in\\{1,2,...n\\}$ and $z_{i_{0}}\in X$ such that if $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z)\cap$Max${}_{y}\mathop{\textstyle\bigcup}_{y\in X}F(x_{i_{0}},y)=\emptyset,$ it follows that $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z)\cap\mathop{\textstyle\bigcup}\limits_{y\in X}F(x_{i_{0}},y)\subset F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}^{\ast}x_{i},z_{i_{0}}).\vskip 6.0pt plus 2.0pt minus 2.0pt$ As a first application of the previous lemma, we obtain the following result, which differs from Theorem 3.1 in [32] by the fact that the continuity assumptions are dropped. Theorem 4.3 Let $X$ be a convex set be in a Hausdorff topological vector space $E,$ $Y$ a compact set in a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. i) Suppose that $\mathop{\textstyle\bigcup}_{y\in X}F(x,y)$ is a compact set for each $x\in X$. If $F$ is $S-$transfer weakly type-(v) $\mu-$convex in the first argument on $X\times X$, transfer type-(iii) properly $S-$quasi-concave in the first argument on $X\times X$ and satisfies the condition $\gamma,$ then, there exist $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $z_{1}\in z_{2}+S.$ ii) Suppose that $\mathop{\textstyle\bigcup}_{x\in X}F(x,y)$ is a compact set for each $y\in X$. If $F$ is transfer weakly type-(v) $\mu-$concave in the second argument on $X\times X$, transfer type-(iii) properly $S-$quasi-convex in the second argument on $X\times X$ and satisfies the condition $\gamma^{\prime},$ then there exist $z_{1}\in$Min$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)\text{ }}$such that $z_{1}\in z_{2}-S.$ Proof. i) According to Lemma 4.2, in the case i) there exists $x^{\ast}\in X$ such that $F(x^{\ast},x^{\ast})\cap$Max${}_{w}\cup_{y\in X}F(x^{\ast},y)\neq\emptyset$ and in the case ii), there exists $y^{\ast}\in X$ such that $F(y^{\ast},y^{\ast})\cap$Min${}_{w}\cup_{x\in X}F(x,y^{\ast})\neq\emptyset.$ Further, the proof is similar to the proof of Theorem 4.1. $\square$ If $F$ satisfies the property $\alpha$ (resp. $\alpha^{\prime}),$ we obtain the following variant of Theorem 4.3. Theorem 4.4 Let $X$ be a convex set be in a Hausdorff topological vector space $E,$ $Y$ be a compact set in a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. i) Suppose that $F$ satisfies the property $\alpha$. If $F$ is transfer type-(iii) properly $S-$quasi-concave in the first argument on $X\times X$ and also satisfies the condition $\gamma,$ then, there exist $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $z_{1}\in z_{2}+S.$ ii) Suppose that that $F$ satisfies the property $\alpha^{\prime}$. If $F$ is transfer type-(iii) properly $S-$quasi-convex in the second argument on $X\times X$ and also satisfies the condition $\gamma^{\prime},$ then there exist $z_{1}\in$Min$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)\text{ }}$such that $z_{1}\in z_{2}-S.$ We obtain the following corollary of Theorem 4.4, for the case of the real- valued maps. Corollary 4.3 Let $X$ be a convex set in a Hausdorff topological vector space $E,Y$ be a compact set in $\mathit{R}$ and let $S$ be a pointed closed convex cone in $R$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values. i) Suppose that $\mathop{\textstyle\bigcup}_{y\in X}F(x,y)$ is a compact set for each $x\in X$. If $F$ is transfer type-(iii) properly $S-$quasi-concave in the first argument on $X\times X$ and satisfies the condition $\gamma,$ then, there exist $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $z_{1}\in z_{2}+S.$ ii) Suppose that $\mathop{\textstyle\bigcup}_{x\in X}F(x,y)$ is a compact set for each $y\in X$. If $F$ is transfer type-(iii) properly $S-$quasi-convex in the second argument on $X\times X$ and satisfies the condition $\gamma^{\prime},$ then, there exist $z_{1}\in$Min$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}$ such that $z_{1}\in z_{2}-S.$ Example 4.3 Let $X=[0,1],$ $Y=[-1,1],$ $S=[0,\infty)$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[0,y]\text{ if }0\leq x\leq y\leq 1;\\\ [-x,y]\text{ if }0\leq y<x\leq 1.\end{array}\right.$ We notice that $F$ is not continuous on $X.$ According to Examples 3.7 and 3.8, $F$ is transfer type-(iii) properly $S-$quasi-concave in the first argument on $X\times X$ and it has the property $\gamma.$ All the assumptions of Corollary 4.3 are fulfilled, then, there exists the elements $z_{1}\in$Max$\overline{\cup_{x\in X}F(x,x)}$ and $z_{2}\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ such that $z_{1}\in z_{2}+S.$ It is also true that: $\cup_{x\in X}F(x,x)=\cup_{x\in X}[0,x]=[0,1];$ Max$\overline{\cup_{x\in X}F(x,x)}=\\{1\\};$ Max${}_{w}F(x,X)=\\{1\\}$ and Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}=\\{1\\}.$ Then, taking $z_{1}=1$ and $z_{2}=1,$ we have $z_{1}\in z_{2}+S.$ We introduce the following definition which concerns the convexity properties of set-valued maps with two variables. It will be used to obtain different minimax inequalities. Definition 4.1 Let $X$ be a (n-1) dimensional simplex of a Hausdorff topological vector space $E,Y$ a subset of a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set valued map with nonempty values. $F$ is weakly $z-$convex on $X$ for $z\in A\subseteq Z$, iff for each $z\in A$ and $x_{1},...,x_{n}\in X,$ there exist $y_{1}^{z},y_{2}^{z},...,y_{n}^{z}\in X$ and $g^{z}\in C^{\ast}(\Delta_{n-1})$ such that $F(x_{i},y_{i}^{z})\cap(z+S)\neq\emptyset$ for each $i\in\\{1,2,...,n\\}$ implies $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})\cap(z+S)\neq\emptyset$ for each $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}.$ Example 4.4 Let $X=[0,1],$ $Y=[0,1],$ $S=[0,\infty)$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[0,x]\text{ if }0\leq x\leq y\leq 1;\\\ [0,1]\text{ if }0\leq y<x\leq 1.\end{array}\right.$ For each $z\in[0,1)$ and $x_{1},x_{2},...,x_{n}\in X,$ there exists $y_{1}^{z},y_{2}^{z},...,y_{n}^{z}\in X$ with $0\leq x_{i}\leq y_{i}^{z}$ for each $i\in\\{1,2,...,n\\},$ such that $F(x_{i},y_{i}^{z})\cap(z+S)=[0,x_{i}]\cap[z,\infty)\neq\emptyset$. It follows that $z\leq$min${}_{i=1,...,n}\\{x_{i}\\}.$ Consequently, $z\leq\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i}$ and $0\leq x_{i}\leq\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z}$ for each $i\in\\{1,2,...,n\\}$, $g^{z}\in C^{\ast}(\Delta_{n-1})$ and $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$. Then, $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})=[0,\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i}].$ Hence, $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})\cap(z+S)=[0,\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i}]\cap[z,\infty)\neq\emptyset.$ For $z=1$ and for any $x_{1},x_{2},...,x_{n}\in X,$ there exists $y_{1}^{z},y_{2}^{z},...,y_{n}^{z}\in X$ with $0\leq y_{i}^{z}<x_{i}$ for each $i\in\\{1,2,...,n\\},$ such that $F(x_{i},y_{i}^{z})\cap(z+S)=[0,1]\cap[1,\infty)\neq\emptyset$ for each $i\in\\{1,2,...,n\\}.$ We have that $0\leq\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z}<x_{i}$ for each $i\in\\{1,2,...,n\\}$, $g_{i}^{z}\in C^{\ast}(\Delta_{n-1})$ and $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$ and then, $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})=[0,1].$ Therefore, $F(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})\cap(z+S)=[0,1]\cap[1,\infty)\neq\emptyset.\vskip 6.0pt plus 2.0pt minus 2.0pt$ If $f$ is a mapping, we obtain the following definition. Definition 4.2 Let $X$ be a (n-1) dimensional simplex of a Hausdorff topological vector space $E,Y$ a subset of a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $f:X\times X\rightarrow Y$ be a mapping. $f$ is weakly $z$-convex on $X$ for $z\in A\subseteq Z$, iff for each $z\in A$ and $x_{1},...,x_{n}\in X,$ there exist $y_{1}^{z},y_{2}^{z},...,y_{n}^{z}\in X$, $g^{z}\in C^{\ast}(\Delta_{n-1})$ such that $f(x_{i},y_{i}^{z})\in z+S$ for each $i\in\\{1,2,...,n\\}$ implies $f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})\in z+S$ for each $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}.$ Example 4.5 Let $X=[0,1],$ $Y=[0,1]\times[0,1],$ $S=R_{+}^{2}$ and $f:X\times X\rightarrow Y$ be defined by $f(x,y)=\left\\{\begin{array}[]{c}(x,y)\text{ if }0\leq x\leq y\leq 1;\\\ (1,y)\text{ if }0\leq y<x\leq 1.\end{array}\right.$ For each $z=(z^{\prime},z^{\prime\prime})\in[0,1)\times[0,1]$ and $x_{1},x_{2},...,x_{n}\in X,$ there exists $y_{1}^{z},y_{2}^{z},...,$ $y_{n}^{z}\in X$ with $0\leq x_{i}\leq y_{i}^{z}$ for each $i\in\\{1,2,...,n\\}$ such that $(x_{i},y_{i}^{z})=f(x_{i},y_{i}^{z})\in(z+S)=[z^{\prime},\infty)\times[z^{\prime\prime},\infty).$ It follows that $z^{\prime}\leq$min${}_{i=1,...,n}\\{x_{i}\\}.$ Consequently, $z^{\prime}\leq\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i}$ and $0\leq x_{i}\leq\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z}$ for each $i\in\\{1,2,...,n\\}$, $g^{z}\in C^{\ast}(\Delta_{n-1})$ and $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$ and then, $(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})=f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})\in(z+S)=[z^{\prime},\infty)\times[z^{\prime\prime},\infty).$ For $z=(1,y)$ with $y\in[0,1)$ and for any $x_{1},x_{2},...,x_{n}\in X,$ there exists $y_{1}^{z},y_{2}^{z},...,y_{n}^{z}\in X$ with $0\leq y_{i}^{z}<x_{i}$ for each $i\in\\{1,2,...,n\\}$ such that $(1,y_{i}^{z})=f(x_{i},y_{i}^{z})\in(z+S)=[1,\infty)\times[y,\infty).$ We have that $0\leq\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z}<x_{i}$ for each $i\in\\{1,2,...,n\\}$, $g^{z}\in C^{\ast}(\Delta_{n-1})$ and $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$ and then, $(1,\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})=f(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i},\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z})\in(z+S)=[1,\infty)\times[y,\infty).\vskip 6.0pt plus 2.0pt minus 2.0pt$ Theorem 4.5 is a minimax theorem in which the set-valued map satisfies the above defined property. Theorem 4.5 Let $X$ be a (n-1) dimensional simplex of a Hausdorff topological vector space $E,$ $Y$ a compact set in a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values such that $\cup_{x\in X}F(x,x)$ and $\cup_{y\in X}F(x,y)$ are compact sets for each $x\in X$. Suppose the following conditions are fulfilled: (i) $\mathit{F}$ is weakly $z-$convex for each $z\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)};$ (ii) for each $x\in X,$ Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}\subset F(x,X)-S.$ Then, Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}\subset$Max$\cup_{x\in X}F(x,x)-S.$ Proof. According to assumptions and Lemma 2.1, Max${}_{w}F(x,X)\neq\emptyset$ for each $x\in X$ and Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}\neq\emptyset.$ Let $z\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ and let us define the set-valued map $T:X\rightrightarrows X$ by $T(x)=\\{y\in X:F(x,y)\cap(z+S)\neq\emptyset\\}$ for each $x\in X.$ According to assumption (ii), it follows that $T(x)$ is nonempty for each $x\in X.$ According to Assumption (i), we have that $T$ is weakly naturally quasi- convex: for any $x_{1},x_{2},...,x_{n}\in X$ and $z\in Y,$ there exist $y_{1}^{z},y_{2}^{z},...,y_{n}^{z}\in X$, $g^{z}\in C^{\ast}(\Delta_{n-1}),$ such that, if $y_{i}\in T(x_{i})$ for each $i\in\\{1,2,...,n\\},$ then, $\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})y_{i}^{z}\in T(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}x_{i})$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}.$ Therefore, according to the fixed point Theorem 2.1, there exists $x^{\ast}\in T(x^{\ast}),$ that is, $F(x^{\ast},x^{\ast})\cap(z+S)\neq\emptyset.$ Then, according to Lemma 2.1, we have $z\in F(x^{\ast},x^{\ast})-S\subset\cup_{x\in X}F(x,x)-S\subset$Max$\cup_{x\in X}F(x,x)-S.$ $\square$ Example 4.6 Let $X=[0,1],$ $Y=[0,1],$ $S=[0,\infty)$ and $F:X\times X\rightrightarrows Y$ be defined by $F(x,y)=\left\\{\begin{array}[]{c}[0,x]\text{ if }0\leq x\leq y\leq 1;\\\ [0,1]\text{ if }0\leq y<x\leq 1.\end{array}\right.$ We saw in Example 4.2 that $F$ is weakly $z-$convex for each $z\in Z.$ Further, we have that, $\cup_{x\in X}F(x,x)=\cup_{x\in X}[0,x]=[0,1]$ and for each $x\in X,$ $\cup_{y\in X}F(x,y)=[0,1]$, so that, $\cup_{x\in X}F(x,x)$ and $\cup_{y\in X}F(x,y)$ are compact sets, for each $x\in X.$ It is also true that Max${}_{w}F(x,X)=\\{1\\}$ and Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}=\\{1\\}.$ $F(x,X)-S=(-\infty,1]$ and then, for each $x\in X,$ Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}$ $\subset F(x,X)-S.$ All the assumptions of Theorem 4.4 are fulffiled. Then, $\\{1\\}=$Min$\overline{\cup_{x\in X}\text{Max}_{w}F(x,X)}\subset$Max$\cup_{x\in X}F(x,x)-S=(-\infty,1].\vskip 6.0pt plus 2.0pt minus 2.0pt$ The next corollary is obtained by considering single valued mappings, as a particular case, in Theorem 4.5. Corollary 4.4 Let $X$ be an (n-1) dimensional simplex of a Hausdorff topological vector space $E,Y$ a compact set in a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $f:X\times X\rightarrow Y$ be a mapping such that $\cup_{y\in X}f(x,y)$ and $\cup_{x\in X}f(x,x)$ are compact sets for each $x\in X$. Suppose the following conditions are fulfilled: (i) $\mathit{f}$ is weakly $z-$convex for each $z\in$Min$\overline{\cup_{x\in X}\text{Max}_{w}f(x,X)};$ (ii) for each $x\in X,$ Min$\overline{\cup_{x\in X}\text{Max}_{w}f(x,X)}\subset f(x,X)-S.$ Then, Min$\overline{\cup_{x\in X}\text{Max}_{w}f(x,X)}\subset$Max$\cup_{x\in X}f(x,x)-S.$ Example 4.7 Let $X=[0,1],$ $Y=[0,1]\times[0,1],$ $S=IR_{+}^{2}$ and $f:X\times X\rightarrow Y$ be defined by $f(x,y)=\left\\{\begin{array}[]{c}(x,y)\text{ if }0\leq x\leq y\leq 1;\\\ (1,1)\text{ if }0\leq y<x\leq 1.\end{array}\right.$ We notice that $f$ is not continuous. The mapping $f$ is weakly $z-$convex for each $z\in Y$. According to the definition of $f$, $\cup_{y\in X}f(x,y)=\\{x\\}\times[x,1]\cup\\{(1,1)\\}$ and $\cup_{x\in X}f(x,x)=\\{(x,x):x\in[0,1]\\},$ which are compact sets. The following equalities take place: Max${}_{w}\cup_{y\in X}f(x,y)=\\{1\\}\times[0,1]\cup[0,1]\times\\{1\\}$ and Min$\overline{\cup_{x\in X}\text{Max}_{w}f(x,X)}=\\{1\\}\times[0,1]\cup[0,1]\times\\{1\\}.$ Finally, we have that, for each $x\in X,$ Min$\overline{\cup_{x\in X}\text{Max}_{w}f(x,X)}\subset f(x,X)-S$ and then, all the assumptions of the Corrollary are satisfied. Hence, Min$\overline{\cup_{x\in X}\text{Max}_{w}f(x,X)}\subset$Max$\cup_{x\in X}f(x,x)-S.$ Another result is obtained in the same context of Theorem 4.5. Theorem 4.6 Let $X$ be an (n-1) dimensional simplex of a Hausdorff topological vector space $E,Y$ a compact set in a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $F:X\times X\rightrightarrows Y$ be a set-valued map with non-empty values such that $\cup_{x\in X}F(x,x)$ and $\cup_{y\in X}F(x,y)$ are compact sets for each $x\in X$. Suppose the following conditions are fulfilled: (i) $\mathit{F}$ is weakly $z-$convex for each $z\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)};$ (ii) for each $x\in X,$ Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}\subset F(X,y)+S.$ Then, Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}\subset$Min$\cup_{x\in X}F(x,x)+S.$ Proof. According to the assumptions and Lemma 2.1, Min${}_{w}F(X,y)\neq\emptyset$ for each $y\in X$ and Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}.$ Let $z\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}F(X,y)}$ and let us define the set-valued map $Q:X\rightrightarrows X$ by $Q(y)=\\{x\in X:F(x,y)\cap(z-S)\neq\emptyset\\}$ for each $y\in X.$ According to the assumption (ii), it follows that $Q(y)$ is non-empty for each $y\in X.$ Accordint to the Assumption (i), we have that $Q$ is weakly naturally quasi- convex: for any $y_{1},y_{2},...,y_{n}\in X$ and $z\in Y,$ there exist $x_{1}^{z},x_{2}^{z},...,x_{n}^{z}\in X$ and $g^{z}\in C^{\ast}(\Delta_{n-1}),$ such that, if $x_{i}\in Q(y_{i})$ for each $i\in\\{1,2,...,n\\},$ then, $\mathop{\textstyle\sum}_{i=1}^{n}g_{i}^{z}(\lambda_{i})x_{i}^{z}\in Q(\mathop{\textstyle\sum}_{i=1}^{n}\lambda_{i}y_{i})$ for each $\lambda=(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}.$ Therefore, according to the fixed point Theorem 2.1, there exists $y^{\ast}\in Q(y^{\ast}),$ that is, $F(y^{\ast},y^{\ast})\cap(z-S)\neq\emptyset.$ According to Lemma 2.1, we have that $z\in F(y^{\ast},y^{\ast})+S\subset\cup_{x\in X}F(x,x)+S\subset$Min$\cup_{x\in X}F(x,x)+S.$ $\square$ The last result from this paper is stated now. Corollary 4.5 Let $X$ be an (n-1) dimensional simplex of a Hausdorff topological vector space $E,Y$ a compact set in a Hausdorff topological vector space $Z$ and let $S$ be a pointed closed convex cone in $Z$ with its interior int$S\neq\emptyset.$ Let $f:X\times X\rightarrow Y$ be a mapping such that $\cup_{y\in X}f(x,y)$ and $\cup_{x\in X}f(x,x)$ are compact sets for each $x\in X$. Let us suppose that the following conditions are fulfilled: (i) $\mathit{f}$ is weakly $z-$convex for each $z\in$Max$\overline{\cup_{y\in X}\text{Min}_{w}f(X,y)};$ (ii) for each $x\in X,$ Max$\overline{\cup_{y\in X}\text{Min}_{w}f(X,y)}\subset f(X,y)+S.$ Then, Max$\overline{\cup_{y\in X}\text{Min}_{w}f(X,y)}\subset$Min$\cup_{x\in X}f(x,x)+S.$ Concluding Remarks We have proven the existence of equilibria in minimax inequalities without assuming any form of continuity of functions or set-valued maps. New conditions of convexity have been introduced. The main tools to prove our results have been a fixed-point theorem for weakly naturally quasi-concave set valued maps and a constant selection for quasi-convex set-valued maps. Several examples have been provided in order to illustrate our results. REFERENCES [1] Chen G. Y. (1991) A generalized section theorem and a minimax inequality for a vector-valued mapping. Optimization 22, 745-754 [2] Chuang C.-S., Lin L.-J. (2012): New existence theorems for quasi- equilibrium problems and a minimax theorem on complete metric spaces. J. Glob. Optim., DOI 10.1007/s10898-012-0004-3 [3] Ding X. and Yiran He (1998) Best Approximation Theorem for Set-valued Mappings without Convex Values and Continuity. Appl Math. and Mech. English Edition 19(9), 831-836 [4] Fan K. (1953) Minimax theorems. Proceedings of the National Academy of Sciences of the USA, 39, 42-47 [5] Fan K. (1972) A Minimax Inequality and Applications. Inequalities III, Academic Press, New York, NY [6] Fan K. 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arxiv-papers
2013-04-01T11:46:10
2024-09-04T02:49:43.711071
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Monica Patriche", "submitter": "Monica Patriche", "url": "https://arxiv.org/abs/1304.0339" }
1304.0375
11institutetext: University of Bucharest 11email: [email protected] # Existence of equilibrium for an abstract economy with private information and a countable space of actions Monica Patriche University of Bucharest, Faculty of Mathematics and Computer Science, 14 Academiei Street, 010014 Bucharest, Romania ###### Abstract We define the model of an abstract economy with private information and a countable set of actions. We generalize the H. Yu and Z. Zhang’s model (2007), considering that each agent is characterised by a preference correspondence instead of having an utility function. We establish two different equilibrium existence results. ###### Keywords: private information, upper semicontinuous correspondences, abstract economy, equilibrium. 2000 Mathematics Subject Classification: 47H10, 55M20, 91B50. ## 1 INTRODUCTION We define the model of an abstract economy with private information and a countable set of actions. The preference correspondences need not to be represented by utility functions. The equilibrium concept is an extension of the deterministic equilibrium. We present the H. Yu and Z. Zhang’s model in [18], in which the agents maximize their expected utilities. Our model is a generalization of H. Yu and Z. Zhang’s one. A purpose in this paper is to prove the existence of equilibrium for an abstract economy with private information and a countable set of actions. The assumptions on correspondences refer to upper semicontinuity and measurability. The existence of pure strategy equilibrium for a game with finitely many players, finite action space and diffuse and independent private information was first proved by Radner and Rosenthal [15]. This result was extended by Khan and Sun [10] to the case of a finite game with diffuse and independent private information and with countable compact metric spaces as their action spaces. These authores have shown in [8] that Radner and Rosenthal’s result can not be extended to a general action space. We quote the papers of M.A. Khan, K. Rath, Y. Sun [7], [8], [9] and M.A. Khan, Y. Sun [11], [12], concerning this subject of research. In [19], H. Yu and Z. Zhang showed the existence of pure strategy equilibrium for games with countable complete metric spaces and worked with compact-valued correspondences. They relied on the Bollobás and Varopulos’s extension [2] of the marriage lemma to construct a theory of the distribution of a correspondence from an atomless probability space to a countable complete metric space. They also studied the case of the game with a continuum of players. The classical model of Nash [14] was generalized by many authors. Models were proposed in his pioneering works by Debreu [3] or later by A. Borglin and H. Keiding [2], Shafer and Sonnenschein [16], Yannelis and Prahbakar [18]. Yannelis and Prahbakar developed new tehniques of work for showing the existence of equilibrium. That is the reason for what we defined a new model that can be integrated in this direction of development of the game theory. We use the fixed point method of finding the equilibrium, precisely we use Ky Fan fixed point theorem for upper semicontinuous correspondences. The paper is organised as follows: In section 2, some notation and terminological convention are given. In section 3, H. Yu and Z. Zhang’s expected utility model with a finite number of agents and private information and their main result in [19] are presented. Section 4 introduces our model, that is, an abstract economy with private information and a countable space of actions. Section 5 contains existence results for upper semicontinuous correspondences. ## 2 PRELIMINARIES AND NOTATION Throughout this paper, we shall use the following notations and definitions: Let $A$ be a subset of a topological space $X$. 1. 1. $\tciFourier(A)$ denotes the family of all non-empty finite subsets of $A$. 2. 2. $2^{A}$ denotes the family of all subsets of $A$. 3. 3. cl $A$ denotes the closure of $A$ in $X$. 4. 4. If $A$ is a subset of a vector space, co$A$ denotes the convex hull of $A$. 5. 5. If $F$, $G:$ $X\rightarrow 2^{Y}$ are correspondences, then co$G$, cl $G$, $G\cap F$ $:$ $X\rightarrow 2^{Y}$ are correspondences defined by $($co$G)(x)=$co$G(x)$, $($cl$G)(x)=$cl$G(x)$ and $(G\cap F)(x)=G(x)\cap F(x)$ for each $x\in X$, respectively. Definition 1. Each correspondence $F:$ $X\rightarrow 2^{Y}$ has two natural inverses: 1. 1. the upper inverse $F^{u}$ (also called the strong inverse) of a subset $A$ of $Y$ is defined by $F^{u}(A)=\left\\{x\in A:F(x)\subset A\right\\}.$ 2. 2. the lower inverse $F^{l}$ (also called the weak inverse) of a subset $A$ of $Y$ is defined by $F^{l}(A)=\left\\{x\in A:F(x)\cap A\not=\emptyset\right\\}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Definition 2. Let $X$, $Y$ be topological spaces and $F:X\rightarrow 2^{Y}$ be a correspondence. 1\. $F$ is said to be upper semicontinuous if for each $x\in X$ and each open set $V$ in $Y$ with $F(x)\subset V$, there exists an open neighborhood $U$ of $x$ in $X$ such that $F(y)\subset V$ for each $y\in U$. 2\. $F$ is said to be lower semicontinuous (l.s.c) if for each $x\in X$ and each open set $V$ in $Y$ with $F(x)\cap V\neq\emptyset$, there exists an open neighbourhood $U$ of $x$ in $X$ such that $F(y)\cap V\neq\emptyset$ for each $y\in U$. Lemma 1 [20]. Let $X$ and $Y$ be two topological spaces and let $A$ be a closed (resp. open) subset of $X.$ Suppose $F_{1}:X\rightarrow 2^{Y}$, $F_{2}:X\rightarrow 2^{Y}$ are lower semicontinuous (resp. upper semicontinuous) such that $F_{2}(x)\subset F_{1}(x)$ for all $x\in A.$ Then the correspondence $F:X\rightarrow 2^{Y}$ defined by $\mathit{F(x)=}\left\\{\begin{array}[]{c}F_{1}(x)\text{, \ \ \ \ \ \ \ if }x\notin A\text{, }\\\ F_{2}(x)\text{, \ \ \ \ \ \ \ \ \ if }x\in A\end{array}\right.$ is also lower semicontinuous (resp. upper semicontinuous). Definition 3 Let $(T$, $\mathcal{T})$ be a measurable space, $Y$ a topological space and $F:T\rightarrow 2^{Y}$ a corespondence. 1. 1. $F$ is weakly measurable if $F^{l}(A)\in\mathcal{T}$ for each open subset $A$ of $Y;$ 2. 2. $F$ is measurable if $F^{l}(A)\in\mathcal{T}$ for each closed subset $A$ of $Y.$ Remark. Let $(T$, $\mathcal{T})$ be a measurable space, $Y$ a countable set and $F:T\rightarrow 2^{Y}$ a corespondence. Then $F$ is measurable if for each $y\in Y,F^{-1}(y)=\left\\{t\in T:y\in F(t)\right\\}$ is $\mathcal{T-}$measurable. Lemma 2 [1]. For a correspondence $F:T\rightarrow 2^{Y}$ from a measurable space into a metrizable space we have the following: 1. 1. If $F$ is measurable, then it is also weakly measurable; 2. 2. If $F$ is compact valued and weakly measurable, it is measurable. Definition 4 [19]. Let $Y$ be a countable complete metric space, $(T$, $\mathcal{T}$, $\lambda)$ an atomless probability space and $F:T\rightarrow 2^{Y}$ a measurable corespondence. The function $f:T\rightarrow Y$ is said to be a selection of $F$ if $f(t)\in F(t)$ for $\lambda-$almost $t\in T.$ Denote $\mathcal{D}_{F}=\left\\{\lambda f^{-1}:f\text{ is a measurable selection of }F\right\\}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Lemma 3 [19]. Let $Y$ be a countable complete metric space, $(T$, $\mathcal{T}$, $\lambda)$ an atomless probability space and $F:T\rightarrow 2^{Y}$ a measurable corespondence. Then $\mathcal{D}_{F}$ is nonempty and convex in the space $\mathcal{M}(Y)$ \- the space of probability measure on $Y$, equipped with the topology of weak convergence. Lemma 4 [19]. Let $Y$ be a countable complete metric space, and $(T$, $\mathcal{T}$, $\lambda)$ be an atomless probability space and $F:T\rightarrow 2^{Y}$ be a measurable corespondence. If $F$ is compact valued, then $\mathcal{D}_{F}$ is compact in $\mathcal{M}(Y).\vskip 6.0pt plus 2.0pt minus 2.0pt$ Lemma 5 [19]. Let $X$ be a metric space, $(T$, $\mathcal{T}$, $\lambda)$ be an atomless probability space, $Y$ be a countable complete metric space and $F:T\times X\rightarrow 2^{Y}$ a correspondence. Assume that for any fixed $x$ in $X$, $F(\cdot,x)$ (also denoted by $F_{x})$ is a compact-valued measurable correspondence, and for each fixed $t\in T,$ $F(t,\cdot)$ is upper semicontinuous on $X$. Also, assume that there exists a compact valued corespondence $H:T\times X\rightarrow 2^{Y}$ such that $F(t,x)\subset H(t)$ for all $t$ and $x$. Then $\mathcal{D}_{F_{x}}$ is upper semicontinuous on $X.$ Theorem 1 (Kuratowski-Ryll-Nardzewski Selection Theorem) [1]. A weakly measurable correspondence with nonempty closed values from a measurable space into a Polish space admits a measurable selector. ## 3 A Nash Equilibrium Existence Theorem We present Yu and Zhang’s model of a finite game with private information. In this model it is assigned to each agent a private information related to his action and payoff described by the random mappings $\tau_{i}$ and $\chi_{i},$ mappings defined on $(\Omega,\mathcal{F})=\underset{i\in I}{(\prod}(Z_{i},X_{i}),\underset{i\in I}{\prod}(\mathcal{Z}_{i},\mathcal{X}_{i})),$ where $(X_{i}$, $\mathcal{X}_{i})$ and $(Z_{i},\mathcal{Z}_{i})$ are measurable spaces. For a point $\omega=(z_{1},x_{1},...,z_{n},x_{n})\in\Omega,$ $\tau_{i}$ and $\chi_{i}$ are the coordinate projections $\tau_{i}(\omega)=z_{i}$, $\chi_{i}(\omega)=x_{i}.$ Each player $i$ in $I$ first observes the realization, say $z_{i}\in Z_{i},$ of the random element $\tau_{i}(\omega),$ then chooses his own action from a nonempty compact subset $D_{i}(z_{i})$ of a countable complete metric space $A_{i},$ with $D_{i}(\cdot)$ measurable. The payoff of each player $i$ is given by the the utility function $u_{i}:A\times X_{i}\rightarrow\mathbb{R},$ where $A=\underset{j\in I}{\prod}A_{j}$ is the set of of all combinations of all players’ moves. Let $\mu$ be a probability measure on $\Omega.$ It is assumed the following uniform integrability condition (UI): (UI) For every $i\in I,$ there is a real-valued integrable function $h_{i}:$ $\Omega\rightarrow\mathbb{R}$ such that $\mu-$almost all $\omega\in\Omega,$ $\mid u_{i}(a,\chi_{i}(\omega))\mid\leq h_{i}(\omega)$ holds for all $a\in A.$ Definition 5 [19]. A finite game with private information is a family $\Gamma=(I,((Z_{i},\mathcal{Z}_{i}),(X_{i},\mathcal{X}_{i}),(A_{i},D_{i}),u_{i})_{i\in I},\mu)$. For each $i\in I,$ let meas($Z_{i},D_{i})$ be the set of measurable mappings $f$ from $Z_{i}$ to $A_{i}$ such that $f(z_{i})\in D_{i}(z_{i})$ for each $z_{i}\in Z_{i}.$ An element $g_{i}$ of meas($Z_{i},A_{i})$ is called a pure strategy for player $i.$ A pure strategy profile $g$ is an n-vector function $(g_{1},g_{2},...,g_{n})$ that specifies a pure strategy for each player. Definition 6 [19]. For a pure strategy profile $g=(g_{1},g_{2},...,g_{n}),$ the expected payoff for player $i$ is $U_{i}(g)=\mathop{\textstyle\int}\limits_{\omega\in\Omega}u_{i}(g_{1}(\tau_{1}(\omega)),...,g_{n}(\tau_{n}(\omega)),\chi_{i}(\omega))\mu d(\omega).\vskip 6.0pt plus 2.0pt minus 2.0pt$ Definition 7 [19]. A Nash equilibrium in pure strategies is defined as a pure strategy profile $(g_{1}^{\ast},g_{2}^{\ast},...,g_{n}^{\ast})$ such that for each player $i\in I$ $U_{i}(g^{\ast})\geq U_{i}(g_{i},g_{-i}^{\ast})$ for all $g_{i}\in$Meas$(Z_{i},D_{i}).\vskip 6.0pt plus 2.0pt minus 2.0pt$ The following theorem is the main result of Zhang in [19]. Theorem 2 Suppose that for every player $i,$ the compact valued $D_{i}$ corespondence is measurable, and a) the distribution $\mu\tau_{i}^{-1}$ of $\tau_{i}$ is an atomless measure; b) the random elements $\left\\{\tau_{j}:j\not=i\right\\}$ together with the random element $\xi_{i}\equiv(\tau_{i},\chi_{i})$ form a mutually independent set; c) for any fixed $x_{i}\in X_{i},$ $u_{i}(\cdot,x_{i})$ is a continuous function on $A;$ for any fixed $a\in A,$ $u_{i}(a,\cdot)$ is a measurable function on $(X_{i},\mathcal{X}_{i});$ d) the uniform integrability condition (UI) holds. Then the game $\Gamma$ has a Nash equilibrium in pure strategies. ## 4 The Model of an abstract economy with private information In this section we define a model of abstract economy with private information and a countable set of actions. We also prove the existence of equilibrium of abstract economies. Let $I$ be a nonempty and finite set (the set of agents). For each $i\in I$, the space of actions, $A_{i}$ is a countable complete metric space and $(Z_{i},\mathcal{Z}_{i})$ is measurable space. Let $(\Omega,\mathcal{F})$ be the product measurable space$,\underset{i\in I}{(\prod}Z_{i},\underset{i\in I}{\prod}\mathcal{Z}_{i})$, and $\mu$ a probability measure on $(\Omega,\mathcal{F}).$ For a point $\omega=(z_{1},...,z_{n})\in\Omega,$ define the coordinate projections $\tau_{i}(\omega)=z_{i}.$ The random mapping $\tau_{i}(\omega)$ is interpreted as player i’s private information related to his action. For each $i\in I,$ we also denote by meas($Z_{i},A_{i})$ the set of measurable mappings $f$ from $Z_{i}$ to $A_{i}.$ An element $g_{i}$ of meas($Z_{i},A_{i})$ is called a pure strategy for player $i.$ A pure strategy profile $g$ is an n-vector function $(g_{1},g_{2},...,g_{n})$ that specifies a pure strategy for each player. We suppose that there exists a correspondence $D_{i}:Z_{i}\rightarrow 2^{A_{i}}$ such that each agent $i$ can choose an action from $D_{i}(z_{i})\subset A_{i}$ for each $z_{i}\in Z_{i}.$ Let $D_{\mathcal{D}_{i}}$ be the set $\left\\{(\mu\tau_{i}^{-1})g_{i}^{-1}:g_{i}\text{ is a measurable selection of }D_{i}\right\\}.$ For each $i\in I,$ let the constraint correspondence be $\alpha_{i}:Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}D_{D_{i}}\rightarrow 2^{A_{i}}$, such that $\alpha_{i}(z_{i},(\mu\tau_{1}^{-1})g_{1}^{-1},(\mu\tau_{2}^{-1})g_{2}^{-1},...,(\mu\tau_{n}^{-1})g_{n}^{-1})\subset A_{i}$ and the preference correspondence is $P_{i}:Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}D_{D_{i}}\rightarrow 2^{A_{i}}$, such that $P_{i}(z_{i},(\mu\tau_{1}^{-1})g_{1}^{-1},$ $(\mu\tau_{2}^{-1})g_{2}^{-1},...,(\mu\tau_{n}^{-1})g_{n}^{-1})\subset A_{i}.$ Definition 8. An abstract economy (or a generalized game) with private information and a countable space of actions is defined as $\Gamma=(I,((Z_{i},\mathcal{Z}_{i}),\newline (A_{i},\alpha_{i},P_{i}))_{i\in I},\mu)$. Definition 9. An equilibrium for $\Gamma$ is defined as a strategy profile $(g_{1}^{\ast},g_{2}^{\ast},...,g_{n}^{\ast})\in\mathop{\textstyle\prod}\limits_{i\in I}$Meas$(Z_{i},D_{i})$ such that for each $i\in I:$ 1) $g_{i}^{\ast}(z_{i})\in\alpha_{i}(z_{i},(\mu\tau_{1}^{-1})(g_{1}^{\ast})^{-1},(\mu\tau_{2}^{-1})(g_{2}^{\ast})^{-1},...,(\mu\tau_{n}^{-1})(g_{n}^{\ast})^{-1})$ for each $z_{i}\in Z_{i};$ 2) $\alpha_{i}(z_{i},(\mu\tau_{1}^{-1})(g_{1}^{\ast})^{-1},(\mu\tau_{2}^{-1})(g_{2}^{\ast})^{-1},...,(\mu\tau_{n}^{-1})(g_{n}^{\ast})^{-1})\cap$ $P_{i}(z_{i},(\mu\tau_{1}^{-1})(g_{1}^{\ast})^{-1},(\mu\tau_{2}^{-1})(g_{2}^{\ast})^{-1},...,(\mu\tau_{n}^{-1})(g_{n}^{\ast})^{-1})=\phi$ for each $z_{i}\in Z_{i}.$ . ## 5 Existence of equilibrium for abstract economies with private information We state some new equilibrium existence theorems for abstract economies. Theorem 3 is an existence theorem of equilibrium for an abstract economy with upper semicontinuous correspondences $\alpha_{i}$ and $P_{i}.$ Theorem 3. Let $\Gamma=(I,((Z_{i},\mathcal{Z}_{i}),(A_{i},\alpha_{i},P_{i}))_{i\in I},\mu)$ be an abstract economy with private information and a countable space of action, where $I$ is a finite index set such that for each $i\in I:$ a) $A_{i}$ is a countable complete metric space and $(Z_{i},\mathcal{Z}_{i})$ is a measurable space; $(\Omega,F)$ is the product measurable space $\underset{i\in I}{(\prod}(Z_{i},\mathcal{Z}_{i}))$ and $\mu$ an atomless probability measure on $(\Omega,F);$ b) the correspondence $D_{i}:Z_{i}\rightarrow 2^{A_{i}}$ is measurable with compact values; c) the correspondence $\alpha_{i}:Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}\rightarrow 2^{A_{i}}$ is measurable with respect to $z_{i}$ and, for all $z_{i}\in Z_{i},$ $\alpha_{i}(z_{i},\cdot,\cdot,...,\cdot)$ is upper semicontinuous with nonempty, compact values; d) the correspondence $P_{i}:Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}\rightarrow 2^{A_{i}}$ is measurable with respect to $z_{i}$ and, for all $z_{i}\in Z_{i},$ $P_{i}(z_{i},\cdot,\cdot,...,\cdot)$ is upper semicontinuous with nonempty, compact values; e) for each $z_{i}\in Z_{i}$ and each $(g_{1},g_{2},...,g_{n})\in\mathop{\textstyle\prod}\limits_{i\in I}$Meas$(Z_{i},A_{i}),$ $g_{i}(z_{i})\not\in P_{i}(z_{i},(\mu\tau_{1}^{-1})g_{1}^{-1},(\mu\tau_{2}^{-1})g_{2}^{-1},...,(\mu\tau_{n}^{-1})g_{n}^{-1});$ f) the set $U_{i}:=$ $\left\\{(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\in Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}:(\alpha_{i}\cap P_{i})(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})=\emptyset\right\\}$ is open for each $z_{i}\in Z_{i}$. Then there exists $(g_{1}^{\ast},g_{2}^{\ast},...,g_{n}^{\ast})\in\mathop{\textstyle\prod}\limits_{i\in I}$Meas$(Z_{i},A_{i})$ an equilibrium for $\Gamma.$ Proof. By Lemma 3, $D_{D_{i}}$ is nonempty and convex. By Lemma 4, $D_{D_{i}}$ is compact. For each $i\in I$ the set $U_{i}:=\left\\{(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\in Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}:(\alpha_{i}\cap P_{i})(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})=\emptyset\right\\}$ is open and we define $F_{i}:Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}\rightarrow 2^{A_{i}}$ by $F_{i}(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})=\left\\{\begin{array}[]{c}(\alpha_{i}\cap P_{i})(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\text{ if }(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\not\in U_{i},\\\ \alpha_{i}(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\text{ if }(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\in U_{i}.\end{array}\right.$ Then the correspondence $F_{i}$ has nonempty, compact values and is measurable with respect to $z_{i}$ and upper semicontinuous with respect to $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}.$ We denote $\mathcal{D}_{F_{i}}(\lambda_{1},\lambda_{2},...,\lambda_{n})=$ =$\left\\{(\mu\tau_{i}^{-1})g_{i}^{-1}:g_{i}\text{ is a measurable selection of }F_{i}(\cdot,\lambda_{1},\lambda_{2},...,\lambda_{n})\right\\}.$ Then: i) $\mathcal{D}_{F_{i}}(\lambda_{1},\lambda_{2},...,\lambda_{n})$ is nonempty because there exists a measurable selection from the correspondence $F_{i}$ by Kuratowski-Ryll-Nardewski Selection Theorem. ii) $\ \mathcal{D}_{F_{i}}(\lambda_{1},\lambda_{2},...,\lambda_{n})$ is convex and compact by Lemma 3 and Lemma 4. We define $\Phi:$ $\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}\rightarrow 2^{\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}},$ $\Phi(\lambda_{1},\lambda_{2},...,\lambda_{n})=\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{F_{i}}(\lambda_{1},\lambda_{2},...$ $,\lambda_{n}).$ The set $\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}$ is nonempty, compact and convex. By Lemma 5 the correspondence $\mathcal{D}_{F_{i}}$ is upper semicontinuous. Then the correspondence $\Phi$ is upper semicontinuous and has nonempty compact and convex values. By Ky Fan fixed point Theorem, we know that there exists a fixed point $(\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})\in\Phi(\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast}).$ In particular, for each player $i,$ $\lambda_{i}^{\ast}\in\mathcal{D}_{F_{i}}(\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast}).$ Therefore, for each player $i,$ there exists $g_{i}^{\ast}\in$Meas$(Z_{i},A_{i})$ such that $g_{i}^{\ast}$ is a selection of $F_{i}(\cdot,\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ and $(\mu\tau_{i}^{-1})(g_{i}^{\ast})^{-1}=\lambda_{i}^{\ast}.$ We prove that $(g_{1}^{\ast},g_{2}^{\ast},...,g_{n}^{\ast})$ is an equilibrium for $\Gamma.$ For each $i\in I,$ because $g_{i}^{\ast}$ is a selection of $F_{i}(\cdot,\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$, it follows that $g_{i}^{\ast}(z_{i})\in(\alpha_{i}\cap P_{i})(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ if $(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})\not\in U_{i}$ or $g_{i}^{\ast}(z_{i})\in\alpha_{i}^{{}^{\prime}}(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ if $(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})\in U_{i}.$ By the assumption d) it follows that $g_{i}^{\ast}(z_{i})\not\in P_{i}(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ for each $z_{i}\in Z_{i}.$ Then $g_{i}^{\ast}(z_{i})\in\alpha_{i}(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ and $(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})\in U_{i}.$ This is equivalent with the fact that $g_{i}^{\ast}(z_{i})\in\alpha_{i}(z_{i},(\mu\tau_{1}^{-1})(g_{1}^{\ast})^{-1},(\mu\tau_{2}^{-1})(g_{2}^{\ast})^{-1},...,$ $(\mu\tau_{n}^{-1})(g_{n}^{\ast})^{-1})$ and $(\alpha_{i}\cap P_{i})(z_{i},(\mu\tau_{1}^{-1})(g_{1}^{\ast})^{-1},(\mu\tau_{2}^{-1})(g_{2}^{\ast})^{-1},...,(\mu\tau_{n}^{-1})(g_{n}^{\ast})^{-1})=\emptyset$ for each $z_{i}\in Z_{i}.$ Consequently, $(g_{1}^{\ast},g_{2}^{\ast},...,g_{n}^{\ast})$ is an equilibrium for $\Gamma.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Theorem 4. Let $\Gamma=(I,((Z_{i},\mathcal{Z}_{i}),(A_{i},\alpha_{i},P_{i}))_{i\in I},\mu)$. be an abstract economy with private information and a countable space of action, where $I$ is a finite index set such that for each $i\in I,$ a) $A_{i}$ is a countable complete metric space and $(Z_{i}$, $\mathcal{Z}_{i})$ is a measurable space; $(\Omega,\mathcal{F})$ is the product measurable space $\underset{i\in I}{\prod}(Z_{i},\mathcal{Z}_{i})$ and $\mu$ an atomless probability measure on $(\Omega,\mathcal{F});$ b) the correspondence $D_{i}:Z_{i}\rightarrow 2^{A_{i}}$ is measurable with compact values; let $D_{D_{i}}$ be the set $\left\\{(\mu\tau_{i}^{-1})g_{i}^{-1}:g_{i}\text{ {is a measurable selection of} }D_{i}\right\\};$ c) the correspondence $\alpha_{i}:Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}\rightarrow 2^{A_{i}}$ is measurable with respect to $z_{i}$ and, for all $z_{i}\in Z_{i},$ $\alpha_{i}(z_{i},\cdot,\cdot,...,\cdot)$ is upper semicontinuous with nonempty, compact values; d) there exists a selector $G_{i}:Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}\rightarrow 2^{A_{i}}$ for $(\alpha_{i}\cap P_{i}):Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}\rightarrow 2^{A_{i}}$ such that $G_{i}(z_{i},(\mu\tau_{1}^{-1})g_{1}^{-1},(\mu\tau_{2}^{-1})g_{2}^{-1},...,(\mu\tau_{n}^{-1})g_{n}^{-1})$ is measurable with respect to $z_{i}$ and, for all $z_{i}\in Z_{i},$ $G_{i}(z_{i},\cdot,\cdot,...,\cdot)$ is upper semicontinuous with nonempty, compact values; e) for each $z_{i}\in Z_{i}$ and each $(g_{1},g_{2},...,g_{n})\in\mathop{\textstyle\prod}\limits_{i\in I}$Meas$(Z_{i},A_{i}),$ $g_{i}(z_{i})\not\in G_{i}(z_{i},(\mu\tau_{1}^{-1})g_{1}^{-1},(\mu\tau_{2}^{-1})g_{2}^{-1},...,(\mu\tau_{n}^{-1})g_{n}^{-1});$ f) the set $U_{i}:=\left\\{(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\in Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}:(\alpha_{i}\cap P_{i})(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})=\emptyset\right\\}$ is open for each $z_{i}\in Z_{i}$. Then there exists $(g_{1}^{\ast},g_{2}^{\ast},...,g_{n}^{\ast})\in\mathop{\textstyle\prod}\limits_{i\in I}$Meas$(Z_{i},A_{i})$ an equilibrium for $\Gamma.$ Proof. By Lemma 3, $D_{D_{i}}$ is nonempty and convex. By Lemma 4, $\mathcal{D}_{D_{i}}$ is compact. For each $i\in I$ the set $U_{i}:=\left\\{(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\in Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}:(\alpha_{i}\cap P_{i})(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})=\emptyset\right\\}$ is open and we define $F_{i}:Z_{i}\times\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}\rightarrow 2^{A_{i}}$ by $F_{i}(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})=\left\\{\begin{array}[]{c}G_{i}(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\text{ if }(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\not\in U_{i},\\\ \alpha_{i}(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\text{ if }(z_{i},\lambda_{1},\lambda_{2},...,\lambda_{n})\in U_{i}.\end{array}\right.$ Then the correspondence $F_{i}$ has nonempty, compact values and is measurable with respect to $z_{i}$ and upper semicontinuous with respect to $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}.$ We denote $\mathcal{D}_{F_{i}}(\lambda_{1},\lambda_{2},...,\lambda_{n})=$ $=\left\\{(\mu\tau_{i}^{-1})g_{i}^{-1}:g_{i}\text{ is a measurable selection of }F_{i}(\cdot,\lambda_{1},\lambda_{2},...,\lambda_{n})\right\\}.$ Then: i) $\mathcal{D}_{F_{i}}(\lambda_{1},\lambda_{2},...,\lambda_{n})$ is nonempty because there exists a measurable selection from the correspondence $F_{i}$ by Kuratowski-Ryll-Nardewski Selection Theorem. ii) $\ \mathcal{D}_{F_{i}}(\lambda_{1},\lambda_{2},...,\lambda_{n})$ is convex and compact by Lemma 3 and Lemma 4. We define $\Phi:$ $\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}\rightarrow 2^{\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}},$ $\Phi(\lambda_{1},\lambda_{2},...,\lambda_{n})=\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{F_{i}}(\lambda_{1},\lambda_{2},...,\lambda_{n}).$ The set $\mathop{\textstyle\prod}\limits_{i\in I}\mathcal{D}_{D_{i}}$ is nonempty, compact convex. By Lemma 5 the correspondence $\mathcal{D}_{F_{i}}$ is upper semicontinuous. Then the correspondence $\Phi$ is upper semicontinuous and has nonempty, compact and convex values. By Ky Fan fixed point theorem, we know that there exists a fixed point $(\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})\in\Phi(\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast}).$ In particular, for each player $i,$ $\lambda_{i}^{\ast}\in\mathcal{D}_{F_{i}}(\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast}).$ Therefore, for each player $i,$ there exists $g_{i}^{\ast}\in$Meas$(Z_{i},A_{i})$ such that $g_{i}^{\ast}$ is a selection of $F_{i}(\cdot,\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ and $(\mu\tau_{i}^{-1})(g_{i}^{\ast})^{-1}=\lambda_{i}^{\ast}.$ We prove that $(g_{1}^{\ast},g_{2}^{\ast},...,g_{n}^{\ast})$ is an equilibrium for $\Gamma.$ For each $i\in I,$ because $g_{i}^{\ast}$ is a selection of $F_{i}(\cdot,\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$, it follows that $g_{i}^{\ast}(z_{i})\in(\alpha_{i}\cap P_{i})(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ if $(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})\not\in U_{i}$ or $g_{i}^{\ast}(z_{i})\in\alpha_{i}(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ if $(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})\in U_{i}.$ By the hypothesis d), it follows that $g_{i}^{\ast}(z_{i})\not\in G_{i}(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ for each $z_{i}\in Z_{i}.$ Then $g_{i}^{\ast}(z_{i})\in\alpha_{i}(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})$ and $(z_{i},\lambda_{1}^{\ast},\lambda_{2}^{\ast},...,\lambda_{n}^{\ast})\in U_{i}.$ This is equivalent with the fact that $g_{i}^{\ast}(z_{i})\in\alpha_{i}(z_{i},(\mu\tau_{1}^{-1})(g_{1}^{\ast})^{-1},(\mu\tau_{2}^{-1})(g_{2}^{\ast})^{-1},...\newline ,(\mu\tau_{n}^{-1})(g_{n}^{\ast})^{-1})$ and $(\alpha_{i}\cap P_{i})(z_{i},(\mu\tau_{1}^{-1})(g_{1}^{\ast})^{-1},(\mu\tau_{2}^{-1})(g_{2}^{\ast})^{-1},...,(\mu\tau_{n}^{-1})(g_{n}^{\ast})^{-1})=\emptyset$ for each $z_{i}\in Z_{i}.$ Consequently, $(g_{1}^{\ast},g_{2}^{\ast},...,g_{n}^{\ast})$ is an equilibrium for $\Gamma.\vskip 6.0pt plus 2.0pt minus 2.0pt$ ## References * (1) C. 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arxiv-papers
2013-04-01T15:22:49
2024-09-04T02:49:43.722625
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Monica Patriche", "submitter": "Monica Patriche", "url": "https://arxiv.org/abs/1304.0375" }
1304.0444
# Zygmund-type inequalities for an operator preserving inequalities between polynomials Nisar. A. Rather, Suhail Gulzar and K.A. Thakur ###### Abstract. In this paper, we present certain new $L_{p}$ inequalities for $\mathcal{B}_{n}$-operators which include some known polynomial inequalities as special cases. 00footnotetext: AMS Mathematics Subject Classification(2010): 26D10, 41A17.00footnotetext: Keywords: $L^{p}$ inequalities, $\mathcal{B}_{n}$-operators, polynomials. P.G.Department of Mathematics, Kashmir University, Hazratbal, Srinagar-190006, India e-mail: [email protected] *Department of Mathematics, Degree College Ganderbal, Ganderbal Kashmir- India ## 1\. Introduction and statement of results Let $\mathscr{P}_{n}$ denote the space of all complex polynomials $P(z)=\sum_{j=0}^{n}a_{j}{z}^{j}$ of degree $n$. For $P\in\mathscr{P}_{n}$, define $\left\|P(z)\right\|_{0}:=\exp\left\\{\frac{1}{2\pi}\int_{0}^{2\pi}\log\left|P(e^{i\theta})\right|d\theta\right\\},$ $\left\|P(z)\right\|_{p}:=\left\\{\frac{1}{2\pi}\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}\right\\}^{1/p},\,\,1\leq p<\infty,$ $\left\|P(z)\right\|_{\infty}:=\underset{\left|z\right|=1}{\max}\left|P(z)\right|,\quad m(P,k):=\underset{\left|z\right|=k}{\min}\left|P(z)\right|,\,k>0$ and denote for any complex function $\psi:\mathbb{C}\rightarrow\mathbb{C}$ the composite function of $P$ and $\psi$, defined by $\left(P\circ\psi\right)(z):=P\left(\psi(z)\right)\,\,\,\,(z\in\mathbb{C})$, as $P\circ\psi$. If $P\in\mathscr{P}_{n}$, then (1.1) $\left\|P^{\prime}(z)\right\|_{p}\leq n\left\|P(z)\right\|_{p},\,\,\,\,\,\,p\geq 1$ and (1.2) $\left\|P(Rz)\right\|_{p}\leq R^{n}\left\|P(z)\right\|_{p},\,\,\,R>1,\,\,\,\,p>0,$ Inequality (1.1) was found out by Zygmund [20] whereas inequality (1.2) is a simple consequence of a result of Hardy [8]. Arestov [2] proved that (1.1) remains true for $0<p<1$ as well. For $p=\infty$, the inequality (1.1) is due to Bernstein (for reference, see [11, 15, 18]) whereas the case $p=\infty$ of inequality (1.2) is a simple consequence of the maximum modulus principle ( see [11, 12, 15]). Both the inequalities (1.1) and (1.2) can be sharpened if we restrict ourselves to the class of polynomials having no zero in $\left|z\right|<1.$ In fact, if $P\in\mathscr{P}_{n}$ and $P(z)\neq 0$ in $\left|z\right|<1$, then inequalities (1.1) and (1.2) can be respectively replaced by (1.3) $\left\|P^{\prime}(z)\right\|_{p}\leq n\frac{\left\|P(z)\right\|_{p}}{\left\|1+z\right\|_{p}},\,\,\,\,p\geq 0$ and (1.4) $\left\|P(Rz)\right\|_{p}\leq\frac{\left\|R^{n}z+1\right\|_{p}}{\left\|1+z\right\|_{p}}\left\|P(z)\right\|_{p},\,\,\,R>1,\,\,\,p>0.$ Inequality (1.3) is due to De-Bruijn [7](see also [3]) for $p\geq 1$. Rahman and Schmeisser [1] extended it for $0<p<1,$ whereas the inequality (1.4) was proved by Boas and Rahman [6] for $p\geq 1$ and later it was extended for $0<p<1$ by Rahman and Schmeisser [14]. For $p=\infty$, the inequality (1.3) was conjectured by Erdös and later verified by Lax [9] whereas inequality (1.4) was proved by Ankeny and Rivlin [1]. As a compact generalization of inequalities (1.3) and (1.5), Aziz and Rather [5] proved that if $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $|z|<1,$ then for $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,$ $|\beta|\leq 1,$ $R>r\geq 1$ and $p>0$, (1.5) $\left\|P(Rz)+\phi_{n}\left(R,r,\alpha,\beta\right)P(rz)\right\|_{p}\leq\dfrac{C_{p}}{\|1+z\|_{p}}\left\|P(z)\right\|_{p}$ where (1.6) $C_{p}=\left\|\left(R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}\right)z+(1+\phi_{n}(R,r,\alpha,\beta))\right\|_{p}$ and (1.7) $\phi_{n}\left(R,r,\alpha,\beta\right)_{n}=\beta\left\\{\left(\dfrac{R+1}{r+1}\right)^{n}-|\alpha|\right\\}-\alpha.$ If we take $\beta=0,\,\alpha=1$ and $r=1$ in (1.5) and divide two sides of (1.5) by $R-1$ then make $R\rightarrow 1,$ we obtain inequality (1.3). Whereas inequality (1.4) is obtained from (1.5) by taking $\alpha=\beta=0.$ Rahman [13] (see also Rahman and Schmeisser [15, p. 538]) introduced a class $\mathcal{B}_{n}$ of operators $B$ that maps $P\in\mathscr{P}_{n}$ into itself. That is, the operator $B$ carries $P\in\mathscr{P}_{n}$ into (1.8) $B[P](z):=\lambda_{0}P(z)+\lambda_{1}\left(\frac{nz}{2}\right)\frac{P^{\prime}(z)}{1!}+\lambda_{2}\left(\frac{nz}{2}\right)^{2}\frac{P^{\prime\prime}(z)}{2!}$ where $\lambda_{0},\lambda_{1}$ and $\lambda_{2}$ are such that all the zeros of (1.9) $u(z):=\lambda_{0}+C(n,1)\lambda_{1}z+C(n,2)\lambda_{2}z^{2},\,\,\,C(n,r)=n!/r!(n-r)!,$ lie in the half plane (1.10) $|z|\leq|z-n/2|$ and proved that if $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $|z|<1$, then (1.11) $\left|B[P\circ\sigma](z)\right|\leq\frac{1}{2}\left\\{R^{n}\left|\Lambda_{n}\right|+\left|\lambda_{0}\right|\right\\}\left\|P(z)\right\|_{\infty}\,\,\,\mbox{}for\,\mbox{}\,\,\,|z|=1,$ (see [13, Inequalities (5.2) and (5.3)]) where $\sigma(z)=Rz$, $R\geq 1$ and (1.12) $\Lambda_{n}:=\lambda_{0}+\lambda_{1}\frac{n^{2}}{2}+\lambda_{2}\frac{n^{3}(n-1)}{8}.$ As an extension of inequality (1.11) to $L_{p}$-norm, recently W.M. Shah and A. Liman [19] while seeking the desired extension, they [19, Theorem 2] have made an incomplete attempt by claiming to have proved that if $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $\left|z\right|<1$, then for each $R\geq 1$ and $p\geq 1$, (1.13) $\left\|B[P\circ\sigma](z)\right\|_{p}\leq\frac{R^{n}|\Lambda_{n}|+|\lambda_{0}|}{\left\|1+z\right\|_{p}}\left\|P(z)\right\|_{p}.$ where $B\in B_{n}$ and $\sigma(z)=Rz$ and $\Lambda_{n}$ is defined by 1.12. Rather and Shah [16] pointed an error in the proof of (1.13), they not only provided a correct proof but also extended it for $0\leq p<1$ as well. They proved: ###### Theorem A. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish for $|z|<1,$ then for $0\leq p<\infty$ and $R>1,$ (1.14) $\left\|B[P\circ\sigma](z)\right\|_{p}\leq\dfrac{\left\|R^{n}\Lambda_{n}z+\lambda_{0}\right\|_{p}}{\|1+z\|_{p}}\left\|P(z)\right\|_{p},$ $B\in\mathcal{B}_{n},$ $\sigma(z)=Rz$ and $\Lambda_{n}$ is defined by (1.12). The result is sharp as shown by $P(z)=az^{n}+b,$ $|a|=|b|=1.$ Recently, Rather and Suhail Gulzar [16] obtained the following result which is a generalization of Theorem A. ###### Theorem B. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish for $|z|<1,$ then for $\alpha\in\mathbb{C}$ with $|\alpha|\leq 1,$ $0\leq p<\infty$ and $R>1,$ (1.15) $\displaystyle\left\|B[P\circ\sigma](z)-\alpha B[P](z)\right\|_{p}\leq\dfrac{\left\|(R^{n}-\alpha)\Lambda_{n}z+(1-\alpha)\lambda_{0}\right\|_{p}}{\|1+z\|_{p}}\left\|P(z)\right\|_{p},$ where $B\in\mathcal{B}_{n},$ $\sigma(z)=Rz$ and $\Lambda_{n}$ is defined by (1.12). The result is best possible and equality in (1.15) holds for $P(z)=az^{n}+b,$ $|a|=|b|=1.$ If we take $\alpha=0$ in Theorem B, we obtain Theorem A. In this paper, we investigating the dependence of $\left\|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\right\|_{p}$ on $\left\|P(z)\right\|_{p}$ for $\alpha$, $\beta\in\mathbb{C}$ with $|\alpha|\leq 1$, $|\beta|\leq 1$, $R>r\geq 1$, $0\leq p<\infty$, $\sigma(z):=Rz$, $\rho(z):=rz$ and $\phi_{n}\left(R,r,\alpha,\beta\right)$ is given by (1.7) and establish certain generalized $L_{p}$-mean extensions of the inequality (1.11) for $0\leq p<\infty$ and also a generalization of (1.5). In this direction, we first present the following result which is a compact generalization of the inequalities (1.3), (1.4), (1.5) and (1.11) for $0\leq p<1$ as well. ###### Theorem 1.1. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $\left|z\right|<1$, then for then for $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1$, $|\beta|\leq 1$, $R>r\geq 1$ and $0\leq p<\infty$, $\displaystyle\left\|B[P\circ\sigma](z)+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](z)\right\|_{p}$ (1.16) $\displaystyle\qquad\qquad\qquad\leq\frac{\left\|\left(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n}\right)\Lambda_{n}z+\left(1+\phi_{n}(R,r,\alpha,\beta)\right)\lambda_{0}\right\|_{p}}{\left\|1+z\right\|_{p}}\left\|P(z)\right\|_{p}$ where $B\in\mathcal{B}_{n}$, $\sigma(z):=Rz$, $\rho(z):=rz$, $\Lambda_{n}$ and $\phi_{n}\left(R,r,\alpha,\beta\right)$ are defined by(1.7) and (1.12) respectively. The result is best possible and equality in (1.1) holds for $P(z)=az^{n}+b,|a|=|b|\neq 0$ ###### Remark 1.1. If we take $\lambda_{1}=\lambda_{2}=0$ in (1.1), we obtain inequality (1.5). For $\beta=0,$ inequality (1.1) reduces the following result. ###### Corollary 1.1. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $\left|z\right|<1$, then for every real or complex number $\alpha$ with $|\alpha|\leq 1$, $R>r\geq 1$ and $0\leq p<\infty$, (1.17) $\left\|B[P\circ\sigma](z)-\alpha B[P\circ\rho](z)\right\|_{p}\leq\frac{\left\|(R^{n}-\alpha r^{n})\Lambda_{n}z+(1-\alpha)\lambda_{0}\right\|_{p}}{\left\|1+z\right\|_{p}}\left\|P(z)\right\|_{p}$ where $B\in\mathcal{B}_{n}$, $\sigma(z):=Rz$, $\rho(z):=rz$ and $\Lambda_{n}$ is defined by (1.12). The result is best possible and equality in (1.17) holds for $P(z)=az^{n}+b,\,\,\,|a|=|b|\neq 0$. ###### Remark 1.2. For taking $\alpha=0$ in (1.17), we obtain Theorem (A) and for $r=1$ in (1.17), we get Theorem B. Instead of proving Theorem 1.1, we prove the following more general result which includes Theorem 1.1 as a special case. ###### Theorem 1.2. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $\left|z\right|<1$, then for then for $\alpha,\beta,\delta\in\mathbb{C}$ with $|\alpha|\leq 1$, $|\beta|\leq 1,$ $|\delta|\leq 1,$ $R>r\geq 1$ and $0\leq p<\infty$, $\displaystyle\Bigg{\|}B[P\circ\sigma](z)$ $\displaystyle+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)$ $\displaystyle+\delta$ $\displaystyle\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{\|}_{p}$ (1.18) $\displaystyle\leq\frac{\left\|\left(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n}\right)\Lambda_{n}z+\left(1+\phi_{n}(R,r,\alpha,\beta)\right)\lambda_{0}\right\|_{p}}{\left\|1+z\right\|_{p}}\left\|P(z)\right\|_{p}$ where $B\in B_{n}$, $\sigma(z):=Rz$, $\rho(z):=rz$, $\Lambda_{n}$ and $\phi_{n}\left(R,r,\alpha,\beta\right)$ are defined by(1.7) and (1.12) respectively. The result is best possible and equality in (1.1) holds for $P(z)=az^{n}+b,|a|=|b|\neq 0.$ ###### Remark 1.3. For $\delta=0$ in (1.2), we get Theorem 1.1. Next, corollary which is a generalization of (1.5) follows by taking $\lambda_{1}=\lambda_{2}=0$ in (1.2). ###### Corollary 1.2. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $\left|z\right|<1$, then for then for $\alpha,\beta,\delta\in\mathbb{C}$ with $|\alpha|\leq 1$, $|\beta|\leq 1,$ $|\delta|\leq 1,$ $R>r\geq 1$ and $0\leq p<\infty$, $\displaystyle\Bigg{\|}P(Rz)$ $\displaystyle+\phi_{n}\left(R,r,\alpha,\beta\right)P(rz)$ $\displaystyle+\delta\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||-|1+\phi_{n}\left(R,r,\alpha,\beta\right)|\Big{)}m}{2}\Bigg{\|}_{p}$ (1.19) $\displaystyle\qquad\leq\frac{\left\|\left(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n}\right)z+\left(1+\phi_{n}(R,r,\alpha,\beta)\right)\right\|_{p}}{\left\|1+z\right\|_{p}}\left\|P(z)\right\|_{p}$ where $\phi_{n}\left(R,r,\alpha,\beta\right)$ is defined by(1.7). The result is best possible and equality in (1.2) holds for $P(z)=az^{n}+b,|a|=|b|\neq 0.$ ## 2\. Lemmas For the proofs of these theorems, we need the following lemmas. The first Lemma is easy to prove. ###### Lemma 2.1. If $P\in\mathscr{P}_{n}$ and $P(z)$ has all its zeros in $\left|z\right|\leq 1$, then for every $R\geq r\geq 1$ and $\left|z\right|=1$, $\left|P(Rz)\right|\geq\left(\frac{R+1}{r+1}\right)^{n}\left|P(rz)\right|.$ The following Lemma follows from [10, Corollary 18.3, p. 65]. ###### Lemma 2.2. If all the zeros of polynomial $P\in\mathscr{P}_{n}$ lie in $\left|z\right|\leq 1$, then all the zeros of the polynomial $B[P](z)$ also lie in $\left|z\right|\leq 1$. ###### Lemma 2.3. If $F\in\mathscr{P}_{n}$ has all its zeros in $\left|z\right|\leq 1$ and $P(z)$ is a polynomial of degree at most $n$ such that $|P(z)|\leq|F(z)|\,\,\,\textrm{for}\,\,\,|z|=1,$ then for every $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1$, $|\beta|\leq 1$, $R\geq r\geq 1$, and $|z|\geq 1$, (2.1) $|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)|\leq|B[F\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[F\circ\rho](z)|$ where $B\in\mathcal{B}_{n}$, $\sigma(z):=Rz$, $\rho(z):=rz$, $\Lambda_{n}$ and $\phi_{n}\left(R,r,\alpha,\beta\right)$ are defined by (1.12) and (1.7) respectively. ###### Proof. Since the polynomial $F(z)$ of degree $n$ has all its zeros in $|z|\leq 1$ and $P(z)$ is a polynomial of degree at most $n$ such that (2.2) $|P(z)|\leq|F(z)|\,\,\,\,\textrm{for}\,\,\,\,|z|=1,$ therefore, if $F(z)$ has a zero of multiplicity $s$ at $z=e^{i\theta_{0}}$, then $P(z)$ has a zero of multiplicity at least $s$ at $z=e^{i\theta_{0}}$. If $P(z)/F(z)$ is a constant, then the inequality (2.1) is obvious. We now assume that $P(z)/F(z)$ is not a constant, so that by the maximum modulus principle, it follows that $|P(z)|<|F(z)|\,\,\,\textrm{for}\,\,|z|>1\,\,.$ Suppose $F(z)$ has $m$ zeros on $|z|=1$ where $0\leq m\leq n$, so that we can write $F(z)=F_{1}(z)F_{2}(z)$ where $F_{1}(z)$ is a polynomial of degree $m$ whose all zeros lie on $|z|=1$ and $F_{2}(z)$ is a polynomial of degree exactly $n-m$ having all its zeros in $|z|<1$. This implies with the help of inequality (2.2) that $P(z)=P_{1}(z)F_{1}(z)$ where $P_{1}(z)$ is a polynomial of degree at most $n-m$. Now, from inequality (2.2), we get $|P_{1}(z)|\leq|F_{2}(z)|\,\,\,\textrm{for}\,\,|z|=1\,$ where $F_{2}(z)\neq 0\,\,for\,\,|z|=1$. Therefore for every $\lambda\in\mathbb{C}$ with $|\lambda|>1$, a direct application of Rouche’s theorem shows that the zeros of the polynomial $P_{1}(z)-\lambda F_{2}(z)$ of degree $n-m\geq 1$ lie in $|z|<1$. Hence the polynomial $f(z)=F_{1}(z)\left(P_{1}(z)-\lambda F_{2}(z)\right)=P(z)-\lambda F(z)$ has all its zeros in $|z|\leq 1$ with at least one zero in $|z|<1$, so that we can write $f(z)=(z-te^{i\delta})H(z)$ where $t<1$ and $H(z)$ is a polynomial of degree $n-1$ having all its zeros in $|z|\leq 1$. Applying Lemma 2.1 to the polynomial $f(z)$ with $k=1$, we obtain for every $R>r\geq 1$ and $0\leq\theta<2\pi$, $\displaystyle|f(Re^{i\theta})|=$ $\displaystyle|Re^{i\theta}-te^{i\delta}||H(Re^{i\theta})|$ $\displaystyle\geq$ $\displaystyle|Re^{i\theta}-te^{i\delta}|\left(\frac{R+1}{r+1}\right)^{n-1}|H(re^{i\theta})|$ $\displaystyle=$ $\displaystyle\left(\frac{R+1}{r+1}\right)^{n-1}\frac{|Re^{i\theta}-te^{i\delta}|}{|re^{i\theta}-te^{i\delta}|}|(re^{i\theta}-te^{i\delta})H(re^{i\theta})|$ $\displaystyle\geq$ $\displaystyle\left(\frac{R+1}{r+1}\right)^{n-1}\left(\frac{R+t}{r+t}\right)|f(re^{i\theta})|.$ This implies for $R>r\geq 1$ and $0\leq\theta<2\pi$, (2.3) $\left(\frac{r+t}{R+t}\right)|f(Re^{i\theta})|\geq\left(\frac{R+1}{r+1}\right)^{n-1}|f(re^{i\theta})|.$ Since $R>r\geq 1>t$ so that $f(Re^{i\theta})\neq 0$ for $0\leq\theta<2\pi$ and $\frac{1+r}{1+R}>\frac{r+t}{R+t}$, from inequality (2.3), we obtain $R>r\geq 1$ and $0\leq\theta<2\pi$, (2.4) $|f(Re^{i\theta})|>\left(\frac{R+1}{r+1}\right)^{n}|f(re^{i\theta})|.$ Equivalently, $|f(Rz)|>\left(\frac{R+1}{r+1}\right)^{n}|f(rz)|$ for $|z|=1$ and $R>r\geq 1$. Hence for every $\alpha\in\mathbb{C}$ with $|\alpha|\leq 1$ and $R>r\geq 1,$ we have $\displaystyle|f(Rz)-\alpha f(rz)|$ $\displaystyle\geq|f(Rz)|-|\alpha||f(rz)|$ (2.5) $\displaystyle>\left\\{\left(\frac{R+1}{r+1}\right)^{n}-|\alpha|\right\\}|f(rz)|,\,\,\,\,\,|z|=1.$ Also, inequality (2.4) can be written in the form (2.6) $|f(re^{i\theta})|<\left(\frac{r+1}{R+1}\right)^{n}|f(Re^{i\theta})|$ for every $R>r\geq 1$ and $0\leq\theta<2\pi.$ Since $f(Re^{i\theta})\neq 0$ and $\left(\frac{r+1}{R+1}\right)^{n}<1$, from inequality (2.6), we obtain for $0\leq\theta<2\pi$ and $R>r\geq 1$, $|f(re^{i\theta})|<|f(Re^{i\theta})|.$ Equivalently, $|f(rz)|<|f(Rz)|\,\,\,\textrm{for}\,\,\,\,|z|=1.$ Since all the zeros of $f(Rz)$ lie in $|z|\leq(1/R)<1$, a direct application of Rouche’s theorem shows that the polynomial $f(Rz)-\alpha f(rz)$ has all its zeros in $|z|<1$ for every $\alpha\in\mathbb{C}$ with $|\alpha|\leq 1$. Applying Rouche’s theorem again, it follows from (2.4) that for $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1$ and $R>r\geq 1$, all the zeros of the polynomial $\displaystyle T(z)=$ $\displaystyle f(Rz)-\alpha f(rz)+\beta\left\\{\left(\frac{R+1}{r+1}\right)^{n}-|\alpha|\right\\}f(rz)$ $\displaystyle=f(Rz)+\phi_{n}\left(R,r,\alpha,\beta\right)f(rz)$ $\displaystyle=\big{(}P(Rz)-\lambda F(Rz)\big{)}+\phi_{n}\left(R,r,\alpha,\beta\right)\big{(}P(rz)-\lambda F(rz)\big{)}$ $\displaystyle=\big{(}P(Rz)+\phi_{n}\left(R,r,\alpha,\beta\right)P(rz)\big{)}-\lambda\big{(}F(Rz)+\phi_{n}\left(R,r,\alpha,\beta\right)F(rz)\big{)}$ lie in $|z|<1$ for every $\lambda\in\mathbb{C}$ with $|\lambda|>1$. Using Lemma 2.2 and the fact that $B$ is a linear operator, we conclude that all the zeros of polynomial $\displaystyle W(z)$ $\displaystyle=B[T](z)$ $\displaystyle=(B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z))$ $\displaystyle\qquad\qquad\qquad\qquad\qquad-\lambda(B[F\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[F\circ\rho](z))$ also lie in $|z|<1$ for every $\lambda$ with $|\lambda|>1$. This implies (2.7) $|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)|\leq|B[F\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[F\circ\rho](z)|$ for $|z|\geq 1$ and $R>r\geq 1$. If inequality (2.7) is not true, then exist a point $z=z_{0}$ with $|z_{0}|\geq 1$ such that $|B[P\circ\sigma](z_{0})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z_{0})|>|B[F\circ\sigma](z_{0})+\phi_{n}\left(R,r,\alpha,\beta\right)B[F\circ\rho](z_{0})|.$ But all the zeros of $F(Rz)$ lie in $|z|<1$, therefore, it follows (as in case of $f(z)$) that all the zeros of $F(Rz)+\phi_{n}\left(R,r,\alpha,\beta\right)F(rz)$ lie in $|z|<1$. Hence by Lemma 2.2, all the zeros of $B[F\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[F\circ\rho](z)$ also lie in $|z|<1$, which shows that $B[F\circ\sigma](z_{0})+\phi_{n}\left(R,r,\alpha,\beta\right)B[F\circ\rho](z_{0})\neq 0.$ We take $\lambda=\frac{B[P\circ\sigma](z_{0})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z_{0})}{B[F\circ\sigma](z_{0})+\phi_{n}\left(R,r,\alpha,\beta\right)B[F\circ\rho](z_{0})},$ then $\lambda$ is a well defined real or complex number with $|\lambda|>1$ and with this choice of $\lambda$, we obtain $W(z_{0})=0$. This contradicts the fact that all the zeros of $W(z)$ lie in $|z|<1$. Thus (2.7) holds and this completes the proof of Lemma 2.3. ∎ ###### Lemma 2.4. If $P\in\mathscr{P}_{n}$ and $P(z)$ has all its zeros in $|z|\leq 1,$ then for every $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1$ and $|z|\geq 1,$ (2.8) $\displaystyle\left|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\right|\geq|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}||z|^{n}m$ where $m={\min}_{|z|=1}|P(z)|,$ $B\in\mathcal{B}_{n},$ $\sigma(z)=Rz,\,\rho(z)=rz,$ $\Lambda_{n}$ and $\phi_{n}\left(R,r,\alpha,\beta\right)$ are defined by (1.12) and (1.7) respectively. ###### Proof. By hypothesis, all the zeros of $P(z)$ lie in $|z|\leq 1$ and $m|z|^{n}\leq|P(z)|\,\,\,\,\textnormal{for}\,\,\,\,|z|=1.$ We first show that the polynomial $g(z)=P(z)-\lambda mz^{n}$ has all its zeros in $|z|\leq 1$ for every $\lambda\in\mathbb{C}$ with $|\lambda|<1.$ This is obvious if $m=0,$ that is if $P(z)$ has a zero on $|z|=1.$ Henceforth, we assume $P(z)$ has all its zeros in $|z|<1,$ then $m>0$ and it follows by Rouche’s theorem that the polynomial $g(z)$ has all its zeros in $|z|<1$ for every $\lambda\in\mathbb{C}$ with $|\lambda|<1.$ Proceeding similarly as in the proof of Lemma 2.3, we obtain that for $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1$ and $R>r\geq 1$, all the zeros of the polynomial $\displaystyle H(z)=$ $\displaystyle g(Rz)-\alpha g(rz)+\beta\left\\{\left(\frac{R+1}{r+1}\right)^{n}-|\alpha|\right\\}g(rz)$ $\displaystyle=g(Rz)+\phi_{n}\left(R,r,\alpha,\beta\right)g(rz)$ $\displaystyle=\big{(}P(Rz)-\lambda R^{n}z^{n}m\big{)}+\phi_{n}\left(R,r,\alpha,\beta\right)\big{(}P(rz)-\lambda r^{n}z^{n}m\big{)}$ $\displaystyle=\big{(}P(Rz)+\phi_{n}\left(R,r,\alpha,\beta\right)P(rz)\big{)}-\lambda\big{(}R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}\big{)}mz^{n}$ lie in $|z|<1.$ Applying Lemma 2.1 to $H(z)$ and noting that $B$ is a linear operator, it follows that all the zeros of polynomial $\displaystyle B[H](z)=$ $\displaystyle\left\\{B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\right\\}$ (2.9) $\displaystyle\qquad\qquad\qquad\qquad-\lambda\big{(}R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}\big{)}mB[z^{n}]$ lie in $|z|<1.$ This gives $\displaystyle\left|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\right|$ (2.10) $\displaystyle\qquad\qquad\qquad\qquad\geq|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}||z|^{n}m\,\,\,\,\,\textnormal{for}\,\,\,\,\,|z|\geq 1.$ If (2) is not true, then there is point $w$ with $|w|\geq 1$ such that (2.11) $\displaystyle\left|B[P\circ\sigma](w)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](w)\right|<|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}||w|^{n}m.$ We choose $\lambda=\dfrac{B[P\circ\sigma](w)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](w)}{R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}||w|^{n}m.},$ then clearly $|\lambda|<1$ and with this choice of $\lambda,$ from (2), we get $B[H](w)=0$ with $|w|\geq 1.$ This is clearly a contradiction to the fact that all the zeros of $H(z)$ lie in $|z|<1.$ Thus for every $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,$ $|\beta|\leq 1,$ $\left|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\right|\geq|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}||z|^{n}m$ for $|z|\geq 1$ and $R>r\geq 1.$ ∎ ###### Lemma 2.5. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $\left|z\right|<1$, then for every $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1,R>r\geq 1$ and $|z|\geq 1,$ $\displaystyle|B[P\circ\sigma](z)+$ $\displaystyle\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)|$ (2.12) $\displaystyle\leq|B[P^{*}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{*}\circ\rho](z)|$ where $P^{*}(z):=z^{n}\overline{P(1/\overline{z})}$, $B\in\mathcal{B}_{n}$, $\sigma(z):=Rz$, $\rho(z):=rz$, and $\phi_{n}\left(R,r,\alpha,\beta\right)$ is defined by (1.7). ###### Proof. By hypothesis the polynomial $P(z)$ of degree $n$ does not vanish in $|z|<1$, therefore, all the zeros of the polynomial $P^{*}(z)=z^{n}\overline{P(1/\overline{z})}$ of degree $n$ lie in $|z|\leq 1$. Applying Lemma 2.3 with $F(z)$ replaced by $P^{*}(z)$, it follows that $\displaystyle\left|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\right|$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\leq\left|B[P^{*}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{*}\circ\rho](z)\right|$ for $|z|\geq 1,|\alpha|\leq 1,|\beta|\leq 1$ and $R>r\geq 1$. This proves the Lemma 2.5. ∎ ###### Lemma 2.6. If $P\in\mathscr{P}_{n}$ and $P(z)$ has no zero in $\left|z\right|<1,$ then for every $\alpha\in\mathbb{C}$ with $|\alpha|\leq 1,$ $R>r\geq 1$ and $|z|\geq 1$, $\displaystyle\left|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\right|$ $\displaystyle\qquad\leq\left|B[P^{\star}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{\star}\circ\rho](z)\right|$ (2.13) $\displaystyle\qquad\quad-\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m,$ where $P^{\star}(z)=z^{n}\overline{P(1/\overline{z})},$ $m={\min}_{|z|=1}|P(z)|,$ $B\in\mathcal{B}_{n},$ $\sigma(z)=Rz,$ $\rho(z)=rz,$ $\Lambda_{n}$ and $\phi_{n}\left(R,r,\alpha,\beta\right)$ are given by (1.12) and (1.7) respectively. ###### Proof. By hypothesis $P(z)$ has all its zeros in $|z|\geq 1$ and (2.14) $\displaystyle m\leq|P(z)|\,\,\,\textnormal{for}\,\,\,\,|z|=1.$ We show $F(z)=P(z)+\lambda m$ does not vanish in $|z|<1$ for every $\lambda\in\mathbb{C}$ with $|\lambda|<1.$ This is obvious if $m=0$ that is, if $P(z)$ has a zero on $|z|=1.$ So we assume all the zeros of $P(z)$ lie in $|z|>1,$ then $m>0$ and by the maximum modulus principle, it follows from (2.14), (2.15) $\displaystyle m<|P(z)|\,\,\,\textnormal{for}\,\,\,|z|<1.$ Now if $F(z)=P(z)+\lambda m=0$ for some $z_{0}$ with $|z_{0}|<1,$ then $\displaystyle P(z_{0})+\lambda m=0$ This implies (2.16) $\displaystyle|P(z_{0})|=|\lambda|m\leq m,\,\,\,\textnormal{for}\,\,\,|z_{0}|<1$ which is clearly contradiction to (2.15). Thus the polynomial $F(z)$ does not vanish in $|z|<1$ for every $\lambda$ with $|\lambda|<1.$ Applying Lemma 2.3 to the polynomial $F(z),$ we get $\displaystyle|B[F\circ\sigma](z)+$ $\displaystyle\phi_{n}\left(R,r,\alpha,\beta\right)B[F\circ\rho](z)|$ $\displaystyle\leq|B[F^{\star}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[F^{\star}\circ\rho](z)|$ for $|z|=1$ and $R>r\geq 1.$ Replacing $F(z)$ by $P(z)+\lambda m,$ we obtain $\displaystyle|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)$ $\displaystyle B[P\circ\rho](z)+\lambda(1+\phi_{n}\left(R,r,\alpha,\beta\right))\lambda_{0}m|$ $\displaystyle\leq|B[P^{\star}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{\star}\circ\rho](z)$ (2.17) $\displaystyle\qquad\qquad\qquad+\bar{\lambda}(R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n})\Lambda_{n}z^{n}m|$ Now choosing the argument of $\lambda$ in the right hand side of (2) such that $\displaystyle|B[P^{\star}\circ\sigma](z)+\phi_{n}$ $\displaystyle\left(R,r,\alpha,\beta\right)B[P^{\star}\circ\rho](z)+\bar{\lambda}(R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n})\Lambda_{n}z^{n}m|$ $\displaystyle=|B[P^{\star}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{\star}\circ\rho](z)|$ $\displaystyle\qquad\qquad\qquad-|\bar{\lambda}||R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}||z|^{n}m$ for $|z|=1,$which is possible by Lemma 2.4,we get $\displaystyle|B[P\circ\sigma](z)$ $\displaystyle+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)|-|\lambda||1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|m$ $\displaystyle\leq$ $\displaystyle|B[P^{\star}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{\star}\circ\rho](z)|$ $\displaystyle\qquad\qquad\qquad-|\lambda||R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}||z|^{n}m$ Equivalently, $\displaystyle|B[P\circ\sigma](z)$ $\displaystyle+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)|$ $\displaystyle\leq$ $\displaystyle|B[P^{\star}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{\star}\circ\rho](z)|$ (2.18) $\displaystyle\quad-|\lambda|\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m.$ Letting $|\lambda|\rightarrow 1$ in (2) we obtain inequality (2.6) and this completes the proof of Lemma 2.6. ∎ Next we describe a result of Arestov [2]. For $\gamma=\left(\gamma_{0},\gamma_{1},\cdots,\gamma_{n}\right)\in\mathbb{C}^{n+1}\,\,\,\,\mbox{}\,\,\,\text{and}\,\,\,P(z)=\sum_{j=0}^{n}a_{j}z^{j}$, we define $C_{\gamma}P(z)=\sum_{j=0}^{n}\gamma_{j}a_{j}z^{j}.$ The operator $C_{\gamma}$ is said to be admissible if it preserves one of the following properties: 1. (i) $P(z)$ has all its zeros in $\left\\{z\in\mathbb{C}:|z|\leq 1\right\\}$, 2. (ii) $P(z)$ has all its zeros in $\left\\{z\in\mathbb{C}:|z|\geq 1\right\\}$. The result of Arestov may now be stated as follows. ###### Lemma 2.7. [2, Theorem 2] Let $\phi(x)=\psi(\log x)$ where $\psi$ is a convex non- decreasing function on $\mathbb{R}$. Then for all $P\in\mathscr{P}_{n}$ and each admissible operator $\Lambda_{\gamma}$, $\int_{0}^{2\pi}\phi\left(|C_{\gamma}P(e^{i\theta})|\right)d\theta\leq\int_{0}^{2\pi}\phi\left(c(\gamma,n)|P(e^{i\theta})|\right)d\theta$ where $c(\gamma,n)=\max\left(|\gamma_{0}|,|\gamma_{n}|\right)$. In particular Lemma 2.7 applies with $\phi:x\rightarrow x^{p}$ for every $p\in(0,\infty)$ and $\phi:x\rightarrow\log x$ as well. Therefore, we have for $0\leq p<\infty$, (2.19) $\left\\{\int_{0}^{2\pi}\phi\left(|C_{\gamma}P(e^{i\theta})|^{p}\right)d\theta\right\\}^{1/p}\leq c(\gamma,n)\left\\{\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}d\theta\right\\}^{1/p}.$ From Lemma 2.7, we deduce the following result. ###### Lemma 2.8. If $P\in\mathscr{P}_{n}$ and $P(z)$ does not vanish in $\left|z\right|<1$, then for each $p>0$, $R>1$ and $\eta$ real, $0\leq\eta<2\pi$, $\displaystyle\int_{0}^{2\pi}|\big{(}B[P\circ\sigma](e^{i\theta})$ $\displaystyle+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](e^{i\theta})\big{)}e^{i\eta}$ $\displaystyle+\big{(}B[P^{*}\circ\sigma]^{*}(e^{i\theta})+\phi_{n}(R,r,\bar{\alpha},\bar{\beta})B[P^{*}\circ\rho]^{*}(e^{i\theta})\big{)}|^{p}d\theta$ $\displaystyle\leq|(R^{n}+\phi_{n}(R,r,$ $\displaystyle\alpha,\beta)r^{n})\Lambda_{n}e^{i\eta}+(1+\phi_{n}(R,r,\bar{\alpha},\bar{\beta}))\bar{\lambda_{0}}|^{p}\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}d\theta$ where $B\in\mathcal{B}_{n}$, $\sigma(z):=Rz$, $\rho(z):=rz$, $B[P^{*}\circ\sigma]^{*}(z):=(B[P^{*}\circ\sigma](z))^{*}$, $\Lambda_{n}$ and $\phi_{n}\left(R,r,\alpha,\beta\right)$ are defined by (1.12) and (1.7) respectively. ###### Proof. Since $P(z)$ does not vanish in $\left|z\right|<1$ and $P^{*}(z)=z^{n}\overline{P(1/\bar{z})}$, by Lemma 2.5, we have for $R>r\geq 1$, $\displaystyle|B[P\circ\sigma](z)+\phi_{n}$ $\displaystyle\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)|$ (2.20) $\displaystyle\leq|B[P^{*}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{*}\circ\rho](z)|$ Also, since $P^{*}(Rz)+\phi_{n}\left(R,r,\alpha,\beta\right)P^{*}(rz)=R^{n}z^{n}\overline{P(1/R\bar{z})}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}z^{n}\overline{P(1/r\bar{z})}$, therefore, $\displaystyle B[P^{*}\circ\sigma](z)+\phi_{n}(R,r,\alpha,\beta)B[P^{*}\circ\rho](z)$ $\displaystyle=\lambda_{0}\big{(}R^{n}z^{n}\overline{P(1/R\bar{z})}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}z^{n}\overline{P(1/r\bar{z})}\big{)}+\lambda_{1}\left(\frac{nz}{2}\right)\Big{(}nR^{n}z^{n-1}\overline{P(1/R\bar{z})}$ $\displaystyle\quad-R^{n-1}z^{n-2}\overline{P^{\prime}(1/R\bar{z})}+\phi_{n}\left(R,r,\alpha,\beta\right)\big{(}nr^{n}z^{n-1}\overline{P(1/r\bar{z})}-r^{n-1}z^{n-2}\overline{P^{\prime}(1/r\bar{z})}\big{)}\Big{)}$ $\displaystyle\quad+\frac{\lambda_{2}}{2!}\left(\frac{nz}{2}\right)^{2}\Big{(}n(n-1)R^{n}z^{n-2}\overline{P(1/R\bar{z})}-2(n-1)R^{n-1}z^{n-3}\overline{P^{\prime}(1/R\bar{z})}$ $\displaystyle\quad+R^{n-2}z^{n-4}\overline{P^{\prime\prime}(1/R\bar{z})}+\phi_{n}\left(R,r,\alpha,\beta\right)\big{(}n(n-1)r^{n}z^{n-2}\overline{P(1/r\bar{z})}$ $\displaystyle\quad-2(n-1)r^{n-1}z^{n-3}\overline{P^{\prime}(1/r\bar{z})}+r^{n-2}z^{n-4}\overline{P^{\prime\prime}(1/r\bar{z})}\big{)}\Big{)}$ and hence, $\displaystyle B[P^{*}\circ\sigma]^{*}$ $\displaystyle(z)+\phi\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{*}\circ\rho]^{*}(z)$ $\displaystyle=$ $\displaystyle\big{(}B[P^{*}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{*}\circ\rho](z)\big{)}^{*}$ $\displaystyle=$ $\displaystyle\left(\bar{\lambda_{0}}+\bar{\lambda_{1}}\frac{n^{2}}{2}+\bar{\lambda_{2}}\frac{n^{3}(n-1)}{8}\right)\left(R^{n}P(z/R)+\phi\left(R,r,\bar{\alpha},\bar{\beta}\right)r^{n}P(z/r)\right)$ $\displaystyle-\left(\bar{\lambda_{1}}\frac{n}{2}+\bar{\lambda_{2}}\frac{n^{2}(n-1)}{4}\right)\Big{(}R^{n-1}zP^{\prime}(z/R)+\phi\left(R,r,\bar{\alpha},\bar{\beta}\right)r^{n-1}zP^{\prime}(z/r)\Big{)}$ (2.21) $\displaystyle+\bar{\lambda_{2}}\frac{n^{2}}{8}\Big{(}R^{n-2}z^{2}P^{\prime\prime}(z/R)+\phi\left(R,r,\bar{\alpha},\bar{\beta}\right)r^{n-2}z^{2}P^{\prime\prime}(z/r)\Big{)}.$ Also, for $|z|=1$ $\displaystyle|B[P^{*}\circ\sigma](z)+$ $\displaystyle\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{*}\circ\rho](z)|$ $\displaystyle=|B[P^{*}\circ\sigma]^{*}(z)+\phi\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{*}\circ\rho]^{*}(z)|.$ Using this in (2), we get for $|z|=1$ and $R>r\geq 1$, $\displaystyle|B[P\circ\sigma](z)+$ $\displaystyle\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)|$ $\displaystyle\leq|B[P^{*}\circ\sigma]^{*}(z)+\phi\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{*}\circ\rho]^{*}(z)|.$ Since all the zeros of $P^{*}(z)$ lie in $|z|\leq 1$, as before, all the zeros of $P^{*}(Rz)+\phi_{n}(R,r,\alpha,\beta)P^{*}(rz)$ lie in $|z|<1$ for all real or complex numbers $\alpha,\beta$ with $|\alpha|\leq 1$, $|\beta|\leq 1$ and $R>r\geq 1$. Hence by Lemma 2.2, all the zeros of $B[P^{*}\circ\sigma](z)+\phi_{n}(R,r,\alpha,\beta)B[P^{*}\circ\rho](z)$ lie in $|z|<1$, therefore, all the zeros of $B[P^{*}\circ\sigma]^{*}(z)+\phi_{n}(R,r,\bar{\alpha},\bar{\beta})B[P^{*}\circ\rho]^{*}(z)$ lie in $|z|>1$. Hence by the maximum modulus principle, $\displaystyle|B[P\circ\sigma](z)+$ $\displaystyle\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{*}\circ\rho](z)|$ (2.22) $\displaystyle<|B[P^{*}\circ\sigma]^{*}(z)+\phi\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{*}\circ\rho]^{*}(z)|\quad\textrm{for}\quad|z|<1.$ A direct application of Rouche’s theorem shows that $\displaystyle C_{\gamma}P(z)=$ $\displaystyle\big{(}B[P\circ\sigma](z)+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](z)\big{)}e^{i\eta}$ $\displaystyle+\big{(}B[P^{*}\circ\sigma]^{*}(z)+\phi_{n}(R,r,\bar{\alpha},\bar{\beta})B[P^{*}\circ\rho]^{*}(z)\big{)}$ $\displaystyle=$ $\displaystyle\left\\{(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n})\Lambda_{n}e^{i\eta}+(1+\phi_{n}(R,r,\bar{\alpha},\bar{\beta}))\bar{\lambda_{0}}\right\\}a_{n}z^{n}$ $\displaystyle+\cdots+\left\\{(R^{n}+\phi_{n}(R,r,\bar{\alpha},\bar{\beta})r^{n})\bar{\Lambda_{n}}+e^{i\eta}(1+\phi_{n}(R,r,\alpha,\beta))\lambda_{0}\right\\}a_{0}$ does not vanish in $|z|<1$. Therefore, $C_{\gamma}$ is an admissible operator. Applying (2.19) of Lemma 2.7, the desired result follows immediately for each $p>0$. ∎ We also need the following lemma [4]. ###### Lemma 2.9. If $A,B,C$ are non-negative real numbers such that $B+C\leq A,$ then for each real number $\gamma,$ $|(A-C)e^{i\gamma}+(B+C)|\leq|Ae^{i\gamma}+B|.$ ## 3\. Proof of the Theorems ###### Proof of Theorem 1.2. By hypothesis $P(z)$ does not vanish in $|z|<1,$ therefore by Lemma 2.6, we have $\displaystyle\left|B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\right|$ $\displaystyle\qquad\leq\left|B[P^{\star}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{\star}\circ\rho](z)\right|$ (3.1) $\displaystyle\qquad\quad-\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m,$ for $|z|=1,$ $|\alpha|\leq 1$ and $R>r\geq 1$ where $P^{\star}(z)=z^{n}\overline{P(1/\overline{z})}.$ Since $B[P^{\star}\circ\sigma]^{\star}(z)+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(z)$ is the conjugate of $B[P^{\star}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{\star}\circ\rho](z)$ and $\displaystyle|B[P^{\star}\circ\sigma]^{\star}(z)$ $\displaystyle+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(z)|$ $\displaystyle=|B[P^{\star}\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P^{\star}\circ\rho](z)|$ Thus (3) can be written as $\displaystyle\big{|}B$ $\displaystyle[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\big{|}$ $\displaystyle\qquad\qquad+\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}$ $\displaystyle\leq\left|B[P^{\star}\circ\sigma]^{\star}(z)+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(z)\right|$ (3.2) $\displaystyle\qquad\qquad-\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2},$ for $|z|=1.$ Taking $A=\left|B[P^{\star}\circ\sigma]^{\star}(z)+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(z)\right|$ $B=\big{|}B[P\circ\sigma](z)+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](z)\big{|},$ and $C=\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}$ in Lemma 2.9 and noting by (3) that $B+C\leq A-C\leq A,$ we get for every real $\gamma$, $\displaystyle\Bigg{|}\Bigg{\\{}\big{|}B[P^{\star}$ $\displaystyle\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}$ $\displaystyle\qquad-\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{\\}}e^{i\gamma}$ $\displaystyle+\Bigg{\\{}\big{|}B$ $\displaystyle[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}$ $\displaystyle\qquad+\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{|}$ $\displaystyle\leq$ $\displaystyle\Big{|}\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}e^{i\gamma}$ $\displaystyle\qquad\qquad\qquad\qquad\quad+\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}\Big{|}.$ This implies for each $p>0,$ $\displaystyle\int\limits_{0}^{2\pi}\Bigg{|}\Bigg{\\{}\big{|}B[P^{\star}$ $\displaystyle\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}$ $\displaystyle\qquad-\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{\\}}e^{i\gamma}$ $\displaystyle+\Bigg{\\{}\big{|}B$ $\displaystyle[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}$ $\displaystyle\qquad+\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{|}^{p}d\theta$ $\displaystyle\leq\int\limits_{0}^{2\pi}$ $\displaystyle\Big{|}\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}e^{i\gamma}$ (3.3) $\displaystyle\quad\quad\qquad\qquad\quad+\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}\Big{|}^{p}d\theta.$ Integrating both sides of (3) with respect to $\gamma$ from $0$ to $2\pi,$ we get with the help of Lemma 2.8 for each $p>0,$ $\displaystyle\int\limits_{0}^{2\pi}\int\limits_{0}^{2\pi}\Bigg{|}\Bigg{\\{}\big{|}B[P^{\star}$ $\displaystyle\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}$ $\displaystyle-\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{\\}}e^{i\gamma}$ $\displaystyle+\Bigg{\\{}\big{|}B$ $\displaystyle[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}$ $\displaystyle+\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{|}^{p}d\theta d\gamma$ $\displaystyle\leq\int\limits_{0}^{2\pi}\int\limits_{0}^{2\pi}\Big{|}\big{|}B[$ $\displaystyle P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}e^{i\gamma}$ $\displaystyle\quad\quad\qquad\qquad+\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}\Big{|}^{p}d\theta d\gamma$ $\displaystyle\leq\int\limits_{0}^{2\pi}\Bigg{\\{}\int\limits_{0}^{2\pi}\Big{|}$ $\displaystyle\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}e^{i\gamma}$ $\displaystyle\quad\quad\qquad\qquad+\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}\Big{|}^{p}d\gamma\Bigg{\\}}\theta$ $\displaystyle\leq\int\limits_{0}^{2\pi}\Bigg{\\{}\int\limits_{0}^{2\pi}$ $\displaystyle\Bigg{|}\Big{(}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\Big{)}e^{i\gamma}$ $\displaystyle\quad\quad\qquad\qquad+\Big{(}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\Big{)}\Bigg{|}^{p}d\gamma\Bigg{\\}}\theta$ $\displaystyle\leq\int\limits_{0}^{2\pi}\Bigg{\\{}\int\limits_{0}^{2\pi}$ $\displaystyle\Bigg{|}\Big{(}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\Big{)}e^{i\gamma}$ $\displaystyle\quad\quad\qquad\qquad+\Big{(}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\Big{)}\Bigg{|}^{p}d\theta\Bigg{\\}}\gamma$ $\displaystyle\leq\int\limits_{0}^{2\pi}$ $\displaystyle\Big{|}(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n})\Lambda_{n}e^{i\gamma}+(1+\phi_{n}(R,r,\bar{\alpha},\bar{\beta}))\bar{\lambda_{0}}\Big{|}^{p}d\gamma$ (3.4) $\displaystyle\qquad\qquad\qquad\qquad\times\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}d\theta$ Now it can be easily verified that for every real number $\gamma$ and $s\geq 1$, $\left|s+e^{i\alpha}\right|\geq\left|1+e^{i\alpha}\right|.$ This implies for each $p>0$, (3.5) $\int_{0}^{2\pi}\left|s+e^{i\gamma}\right|^{p}d\gamma\geq\int_{0}^{2\pi}\left|1+e^{i\gamma}\right|^{p}d\gamma.$ If $\displaystyle\big{|}B[P\circ\sigma]$ $\displaystyle(e^{i\theta})+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](e^{i\theta})\big{|}$ $\displaystyle+$ $\displaystyle\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\neq 0,$ we take $s=\dfrac{\begin{multlined}\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}\\\ +\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\end{multlined}\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}\\\ +\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}}{\begin{multlined}\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](e^{i\theta})\big{|}\\\ +\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\end{multlined}\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](e^{i\theta})\big{|}\\\ +\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}},$ then by (3), $s\geq 1$ and we get with the help of (3.5), $\displaystyle\int\limits_{0}^{2\pi}\Bigg{|}\Bigg{\\{}$ $\displaystyle\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}$ $\displaystyle\quad\quad-\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{\\}}e^{i\gamma}$ $\displaystyle+\Bigg{\\{}$ $\displaystyle\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}$ $\displaystyle\quad\quad+\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{\\}}\Bigg{|}^{p}d\gamma$ $\displaystyle=\Bigg{|}$ $\displaystyle\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}$ $\displaystyle\quad\quad+\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{|}^{p}$ (3.10) $\displaystyle\times\int\limits_{0}^{2\pi}$ $\displaystyle\left|e^{i\gamma}+\dfrac{\begin{multlined}\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}\\\ -\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\end{multlined}\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}\\\ -\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}}{\begin{multlined}\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](e^{i\theta})\big{|}\\\ +\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\end{multlined}\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](e^{i\theta})\big{|}\\\ +\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}}\right|^{p}d\gamma$ $\displaystyle=\Bigg{|}$ $\displaystyle\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}$ $\displaystyle\quad\quad+\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{|}^{p}$ (3.15) $\displaystyle\times\int\limits_{0}^{2\pi}$ $\displaystyle\left|e^{i\gamma}+\left|\dfrac{\begin{multlined}\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}\\\ -\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\end{multlined}\big{|}B[P^{\star}\circ\sigma]^{\star}(e^{i\theta})+\phi_{n}\left(R,r,\bar{\alpha},\bar{\beta}\right)B[P^{\star}\circ\rho]^{\star}(e^{i\theta})\big{|}\\\ -\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}}{\begin{multlined}\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](e^{i\theta})\big{|}\\\ +\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\end{multlined}\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](e^{i\theta})\big{|}\\\ +\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}}\right|^{p}\,\right|d\gamma$ $\displaystyle\geq$ $\displaystyle\Bigg{|}\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}$ (3.16) $\displaystyle+$ $\displaystyle\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{|}^{p}\int\limits_{0}^{2\pi}|1+e^{i\gamma}|^{p}d\gamma.$ For $\displaystyle\big{|}B[P\circ\sigma]$ $\displaystyle(e^{i\theta})+\phi_{n}(R,r,\alpha,\beta)B[P\circ\rho](e^{i\theta})\big{|}$ $\displaystyle+$ $\displaystyle\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\neq 0,$ then (3) is trivially true. Using this in (3), we conclude for every $\alpha,\beta\in\mathbb{C}$ with $|\alpha|\leq 1,|\beta|\leq 1$ $R>r\geq 1$ and $p>0$, $\displaystyle\int\limits_{0}^{2\pi}$ $\displaystyle\Bigg{|}\big{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})\big{|}$ $\displaystyle+\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{|}^{p}d\theta\int\limits_{0}^{2\pi}|1+e^{i\gamma}|^{p}d\gamma$ $\displaystyle\leq\int\limits_{0}^{2\pi}\Big{|}(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n})\Lambda_{n}e^{i\gamma}+(1+\phi_{n}(R,r,\bar{\alpha},\bar{\beta}))\bar{\lambda_{0}}\Big{|}^{p}d\gamma\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}d\theta$ This gives for every $\delta,\alpha,\beta$ with $|\delta|\leq 1,$ $|\alpha|\leq 1,$ $|\beta|\leq 1,$ $R>r\geq 1$ and $\gamma$ real $\displaystyle\int\limits_{0}^{2\pi}$ $\displaystyle\Bigg{|}B[P\circ\sigma](e^{i\theta})+\phi_{n}\left(R,r,\alpha,\beta\right)B[P\circ\rho](e^{i\theta})$ $\displaystyle+\delta$ $\displaystyle\dfrac{\Big{(}|R^{n}+\phi_{n}\left(R,r,\alpha,\beta\right)r^{n}||\Lambda_{n}|-|1+\phi_{n}\left(R,r,\alpha,\beta\right)||\lambda_{0}|\Big{)}m}{2}\Bigg{|}^{p}d\theta\int\limits_{0}^{2\pi}|1+e^{i\gamma}|^{p}d\gamma$ (3.17) $\displaystyle\leq\int\limits_{0}^{2\pi}\Big{|}(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n})\Lambda_{n}e^{i\gamma}+(1+\phi_{n}(R,r,\bar{\alpha},\bar{\beta}))\bar{\lambda_{0}}\Big{|}^{p}d\gamma\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}d\theta$ Since $\displaystyle\int\limits_{0}^{2\pi}$ $\displaystyle\Big{|}(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n})\Lambda_{n}e^{i\gamma}+(1+\phi_{n}(R,r,\bar{\alpha},\bar{\beta}))\bar{\lambda_{0}}\Big{|}^{p}d\gamma\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}d\theta$ $\displaystyle=\int\limits_{0}^{2\pi}\Big{|}|(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n})\Lambda_{n}|e^{i\gamma}+|(1+\phi_{n}(R,r,\bar{\alpha},\bar{\beta}))\bar{\lambda_{0}}|\Big{|}^{p}d\gamma\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}d\theta$ $\displaystyle=\int\limits_{0}^{2\pi}\Big{|}|(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n})\Lambda_{n}|e^{i\gamma}+|(1+\phi_{n}(R,r,\alpha,\beta))\lambda_{0}|\Big{|}^{p}d\gamma\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}d\theta,$ (3.18) $\displaystyle=\int\limits_{0}^{2\pi}\Big{|}(R^{n}+\phi_{n}(R,r,\alpha,\beta)r^{n})\Lambda_{n}e^{i\gamma}+(1+\phi_{n}(R,r,\alpha,\beta))\lambda_{0}\Big{|}^{p}d\gamma\int_{0}^{2\pi}\left|P(e^{i\theta})\right|^{p}d\theta,$ the desired result follows immediately by combining (3) and (3). This completes the proof of Theorem 1.2 for $p>0$. To establish this result for $p=0$, we simply let $p\rightarrow 0+$. ∎ ## References * [1] N.C. Ankeny and T.J.Rivli, On a theorm of S.Bernstein, Pacific J. Math., 5(1955), 849 - 852. * [2] V.V. Arestov, On integral inequalities for trigonometric polynimials and their derivatives, Izv. Akad. Nauk SSSR Ser. Mat. 45 (1981),3-22[in Russian]. English translation; Math.USSR-Izv.,18 (1982), 1-17. * [3] A. Aziz, A new proof and a generalization of a theorem of De Bruijn, proc. Amer Math. Soc., 106(1989), 345-350. * [4] A. Aziz and N.A. Rather, $L^{p}$ inequalities for polynomials,Glas. Math., 32 (1997), 39-43. * [5] A. Aziz and N.A. Rather, Some new generalizations of Zygmund-type inequalities for polynomials, Math. Ineq. Appl., 15(2012), 469-486. * [6] R.P. Boas, Jr. and Q.I. Rahman , $L^{p}$ inequalities for polynomials and entire functions, Arch. Rational Mech. Anal., 11(1962),34-39. * [7] N.G. Bruijn, Inequalities concerning polynomials in the complex domain, Nederal. Akad.Wetensch. Proc.,50(1947), 1265-1272. * [8] G.H. Hardy, The mean value of the modulus of an analytic functions, Proc. London Math. Soc., 14(1915), 269-277. * [9] P.D. Lax, Proof of a conjecture of P.Erdös on the derivative of a polynomial, Bull. Amer. Math.Soc.,50(1944), 509-513. * [10] M. Marden, Geometry of polynomials, Math. Surveys, No.3, Amer. Math.Soc. Providence, RI, 1949. * [11] G.V. Milovanovic, D.S. Mitrinovic and Th.M. Rassias, Topics in Polynomials: Extremal Properties, Inequalities, Zeros, World scientific Publishing Co., Singapore,(1994). * [12] G. Polya and G. Szegö, Aufgaben und lehrsätze aus der analysis, Springer-Verlag, Berlin (1925). * [13] Q.I. Rahman, Functions of exponential type, Trans. Amer. Math. Soc., 135(1969), 295-309. * [14] Q.I. Rahman and G. Schmeisser, $L^{p}$ inequalities for polynomials, J. Approx. Theory, 53(1988), 26-32. * [15] Q.I. Rahman and G. Schmeisser, Analytic Theory of Polynomials, Oxford University Press, New York, 2002. * [16] N.A. Rather and M.A. Shah, On an operator preserving $L_{p}$ inequalities between polynomials, 399 (2013), 422-432. * [17] N.A. Rather and Suhail Gulzar, Integral mean estimates for an operator preserving inequalities between polynomials, J. Inequal. Spec. Funct., 3 (2012), 24 - 41. * [18] A.C. Schaffer, Inequalities of A.Markov and S.Bernstein for polynomials and related functions, Bull.Amer. Math. Soc., 47(1941), 565-579. * [19] W.M.Shah and A.Liman, Integral estimates for the family of B-operators, Operators and Matrices, 5(2011), 79-87. * [20] A. Zygmund, A remark on conjugate series, Proc. London Math. Soc., 34(1932),292-400.
arxiv-papers
2013-04-01T13:44:11
2024-09-04T02:49:43.731526
{ "license": "Public Domain", "authors": "Nisar. A. Rather, Suhail Gulzar, K. A. Thakur", "submitter": "Suhail Gulzar Mattoo", "url": "https://arxiv.org/abs/1304.0444" }
1304.0600
Software for creating pictures in the LaTeX environment R. V. Bezhencev, [email protected] ###### Abstract To create a text with graphic instructions for output pictures into LaTeX document, we offer software that allows us to build a picture in WIZIWIG mode and for setting the text with these graphical instructions. Keywords: LaTeX, TeX, GUI, drawing. ## Introduction As we know, for drawing picture in LaTeX environment, user has to write commands, which contain itself a set of primitives, which together completed drawing. How creating LaTeX-integrated graphics and animations wrote Francesc Sunol [1]. About drawing problems in LaTeX and motivation don’t integrated final image is well described in the thesis Jie Xiao [2]. Since the process of creating images in the LaTeX environment is not a WYSIWYG (“What You See Is what You Get”), and reduced to manual writing graphics output commands in the TeX language, the user has only to imagine how it will look finished drawing, and approximately select control points. This paper describes the software developed by the author of PaintTeX, designed to solve this problem. It was developed in C and WinAPI, using the methods of multi-threading, which guarantees the performance of the program. To simplify the creation of drawings by other authors also develops software Graphviz [2] for drawing graphs, Drawlets [2] for drawing arbitrary graphics and FeynEdit [3] and JaxoDraw [4] for drawing Feynman diagrams. ## 1 Output line segment To display the line segment or vector in the user text in addition to the coordinates of reference point, it is necessary to specify a slope angle with a width to height ratio. In the TeX language command output segment is as follows: \put(60,50){\line(1,-2){20}} where (60,50) - the coordinates of the start point of the segment, (1,-2) \- angle as the ratio of length to height, 20 - the length of the projection on the axis $OX$. Values in a proportion of given inclination should not exceed 6 in absolute value of segments, 4 of vectors, and don’t have common divisors other than 1. Details can be found in the books of [5] and [6]. Created by the author software PaintTeX provides WYSIWYG interface for drawing images using primitives, and then converts each primitive in the appropriate command output graphics TeX language. For example, to draw the image shown in picture 1, you need a long time to calculate the coordinates of control points and other parameters of output commands for each graphic primitive, or fit them around. This picture was painted in the program Paint TeX, the output code is as follows: \begin{picture}(215,283) \qbezier(99,172)(105,172)(112,172) \qbezier(112,172)(108,174)(105,175) \qbezier(112,172)(108,171)(105,169) \qbezier(63,193)(82,170)(102,147) \qbezier(102,147)(100,151)(99,155) \qbezier(102,147)(98,149)(95,151) \qbezier(0,14)(111,14)(209,14) \qbezier(209,14)(205,16)(202,17) \qbezier(209,14)(205,13)(202,11) \qbezier(168,22)(89,129)(8,234) \qbezier(8,22)(93,22)(168,22) \qbezier(8,234)(8,128)(8,22) \qbezier(0,13)(0,145)(0,276) \qbezier(0,276)(-1,273)(-3,269) \qbezier(0,276)(1,273)(3,270) \put(64,192){\circle{38}} \put(101,160){V} \put(8,2){O} \put(10,283){Y} \put(215,0){X} \end{picture} VOYX Picture 1 - Example of a picture in LaTeX Let us consider PaintTeX in action. The user selects the desired primitive and draws it, pointing coordinates of the reference points on which the program draws the primitive and stores them in memory. When user save a drawing program inserts into the file text of outputting commands of the primitive with stored coordinates of reference points. Complex primitives are displayed in the form of a composition of simpler primitives, for example, vector - is three straight lines, connections of the ends at the one point, which forms the arrow, and rectangle - 4 straight. This method can display a myriad of shapes, including three-dimensional. ## 2 How the program works The principle of a program under development is as follows. When the program starts, a window appears with menus, toolbar and drawing area. The user selects the primitive on the toolbar, and then sets the coordinates of the mouse control points. Control points are stored in an instance of the class selected shape and it draws primitive. When you select “Save”, the program saves output commands primitives in results file, inserting the necessary parameters (coordinates, radius) from the coordinates of the control points. For each primitive in the program is allocated class object of the primitive. At the current stage of development, there are 7 classes: VETREX, LINE, LABEL, BIZE, SQVR, CIRKLE, FISH. Each of these classes is a child of the base FIGURE class. FIGURE class content that: class FIGURE { public: POINT *pt; FIGURE *nextFig; Ψvirtual void print() = 0; }; Due to the mechanism of inheritance, each child class inherits from a base pointer types POINT, FIGURE and virtual function print (). When you create a primitive, start initialization function, which converts a pointer *pt to the array points, required for a given dimension of the primitive. That is, if you create line segment, in the constructor LINE works command pt = new POINT[2], and if the rectangle - pt = new POINT[4] in the constructor SQVR. Pointer *nextFig serves to form a stack of primitives. Through the mechanism of inheritance it can point to any class of the primitive. Each description of classes of primitives in their own redefined output function print(). This function writhen the primitive drawing commands into a text file, from which a set of commands, and then you can copy in the article and compile LaTeX tools. In each class, this function outputs in the file own command and parameters, contained in the selected object. Below, for example, is the content of a class of primitives “label”: class LABEL : public FIGURE { public: Ψchar *lab; Ψvoid ini (int x, int y, char *str, int len, HDC hdc) Ψ{ ΨΨpt = new POINT; ΨΨpt[0].x = x; ΨΨpt[0].y = y; ΨΨlab = new char[len+1]; ΨΨstrcpy(lab, str); ΨΨTextOutA(hdc, pt->x, pt->y, lab, strlen(lab)); Ψ} ΨLABEL (){} Ψvoid print() Ψ{ Ψofile << "\\put(" << pt[0].x - Canv_left << ","Ψ << Canv_top - pt[0].y << "){" << lab << "}" << endl; Ψ} }*label; This class contains a pointer *lab, which is converted to a string for storing text of the label, the initialization function, which stores the data in the structure and draws the text, the function print(), a transformative figure in the commands of graphics output with the crop, and a pointer *label, responsible for work stack. Function to create a primitive “label” is as follows: LABEL *new_label(int x, int y, char *str, int len, HDC hdc) { ΨLABEL *label_new = new LABEL; Ψlabel_new->ini(x, y, str, len, hdc); Ψif (!labelcount++) label_new->nextFig = 0; Ψelse label_new->nextFig = label; Ψreturn label_new; } When the user draws a primitive, in this case, the label, the function of creating passed the coordinates to reference point, text string, the length of the string and device handle, which will be drawn text. Since for each new primitive memory is allocated dynamically, it have to use for initialize the initialization function, not the designer. When you save commands, the program for each class of primitive creates a separate thread. Each thread runs a function that using mutex synchronizes the output of each command. Declaration of the function follows: void save(FIGURE *curfig, int counter) As you can see, the argument * curfig - stack pointer primitives, and counter - their total number. Through the mechanism of inheritance, each class primitive is a class of FIGURE, which means for synchronous output primitives of any class is sufficient to use a single function. So, thanks to the virtual function print (), with curfig-¿ print (); You can access the output function of each primitive, and the program will know what kind of entity it is necessary to bring in a file. Mathematical models have been taken from the book “ Mathematical Foundations of Computer Graphics” cite momg. For example, a Bezier curve - parametric curve given by the expression $B(t)=\sum_{i=0}^{n}P_{i}b_{i,n}(t),0<t<1$ Where $P_{i}$ \- function of the components of the reference peaks, and $b_{i,n}(t)$ \- basic functions of a Bezier curve, also called the Bernstein polynomials. $b_{i,n}(t)=\left(n\atop i\right)t^{i}(1-t)^{n-i}$ Where $\left(n\atop i\right)=\frac{n!}{I!(Ni)!}$ \- Number of combinations of $n$ on $i$, where $n$ \- polynomial degree, $i$ \- number of reference peaks. Since the syntax TeX can display curves only by three points, the formula for the output has been simplified. X = (1 - t)*(1 - t) * pt[0].x + 2*t*(1-t)*pt[1].x + t*t*pt[2].x; Y = (1 - t)*(1 - t) * pt[0].y + 2*t*(1-t)*pt[1].y + t*t*pt[2].y; Where pt[0].x, pt[1].x, pt[2].x - control points along the axis of $OX$, and pt[0].y, pt[1].y, pt[2].y - coordinates of the reference points on the axis $OY$. In the construction of the curve, the program increments t = t + 0.01 finds points on the curve, and then joins them small segments. ## 3 The problems in during the implementation the software While working on the software adds the following problem. Since the values are responsible for the slope in the primitive “segment” and “vector” must be integers, and their number is very limited, and then the slope of the primitive there is limited number of angles. A forthcoming software user draws segments and vectors by specifying the coordinates of the starting and ending point. Convert their coordinates in the output instruction in the TeX language was not possible, so to print straight lines, it was decided to use Bezier curves, defining the beginning of a line, a middle and an end. Since the withdrawal of the Bezier curves does not specify a value for the slope and length of the projection, the curves can be output through the straight segments and vectors at any angle. Just had a problem with the definition of the figure. In the LaTeX drawing area is defined manually, and the user, as well as entities that also have to pick up some, determining what sizes will be drawing. Thanks to the automatic cutting PaintTeX defines the boundaries of the rectangle (canvas), which was painted the image and crop a picture to fit your needs, inserting the appropriate parameters in the command beginpicture(). Another problem - work with coordinates Windows and LaTeX. As the starting point coordinates in Windows is the upper left edge of the window, and in the LaTeX bottom left, when converting images to files saved coordinates Windows, and then compile the image look in the mirror image vertically. Now PaintTeX while saving the figure takes into account this nuance. ## References * [1] F. Sunol, Tools for creating LaTeX-integrated graphics and animations under GNU/Linux. - The PracTeX Journal, N 1 (2010), P. 1-12. * [2] X. Jie,Extending Two Drawing Frameworks to Create : Presented in partial Fulfillment of the requirements for the degree of master of computer science, Concordia University Monreal, Quebec, Canada, 2005. - 151 p. * [3] T. Hahn, P. Lang, “FeynEdit - a tool for drawing Feynman diagrams”, Munich, 2007. 9p. Preprint, arXiv:0711.1345v1 [hep-ph], Cornell Univ. http://arxiv.org/abs/0711.1345v1 * [4] D. Binosi, J. Colins, C. Kaufhold, L. Theussl, “JaxoDraw: A graphical user interface for drawing Feynman diagrams. Version 2.0 release notes.”, Comput. Phys. Commun. 2008. 17p. Preprint, arXiv:0811.4113v1 [hep-ph], Cornell Univ. http://arxiv.org/abs/0811.4113v1 * [5] S. M. Lvovsky, Typesetting set in the LaTeX system, St. Petersburg: Piter, 2003. - 448 p. * [6] D. E. Knuth, The TeXbook, part A series Computers and Typesetting. - Addison-Wesley, 1994, 640 p. * [7] J. A. Adams, D. F. Rogers, Computer-aided Heat Transfer Analysis, McGraw, N. Y., 1973. - 604 p.
arxiv-papers
2013-04-02T11:55:33
2024-09-04T02:49:43.745700
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Bezhentcev Roman Vadimovich", "submitter": "Roman Bezhencev Vadimovich", "url": "https://arxiv.org/abs/1304.0600" }
1304.0670
# Prospects for Localization of Gravitational Wave Transients by the Advanced LIGO and Advanced Virgo Observatories J. Aasi1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Abadie1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. P. Abbott1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Abbott1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. D. Abbott2 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Abernathy3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Accadia4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Acernese5ac 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Adams6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Adams7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Addesso8 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. X. Adhikari1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Affeldt9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Agathos11a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA O. D. Aguiar12 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Ajith1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Allen9,13,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Allocca14ac 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Amador Ceron13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Amariutei15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. B. Anderson1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. G. Anderson13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Arai1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. C. 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Coughlin57 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J.-P. Coulon34a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Countryman26 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Couvares23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. M. Coward33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Cowart6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. C. Coyne1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Craig3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. D. E. Creighton13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. D. Creighton44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Cumming3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Cunningham3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Cuoco22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Dahl9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Damjanic9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. L. Danilishin33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. D’Antonio49a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Danzmann9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Dattilo22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Daudert1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Daveloza44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Davier31a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. S. Davies3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. J. Daw58 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Dayanga36 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. De Rosa5ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Debreczeni59 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Degallaix35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. Del Pozzo11a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Deleeuw15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Denker10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Dent9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Dergachev1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. DeRosa2 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. DeSalvo8 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Dhurandhar60 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Di Fiore5a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Di Lieto14ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Di Palma9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Di Virgilio14a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Díaz44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Dietz4,16 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Donovan24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. L. Dooley9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Doravari1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Drago61ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Drasco20 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. W. P. Drever62 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. C. Driggers1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Z. Du46 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J.-C. Dumas33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Dwyer24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Eberle9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Edwards7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Effler2 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Ehrens1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. S. Eikenberry15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Endrőczi59 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Engel1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Essick24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Etzel1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Evans3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Evans24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Evans6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Factourovich26 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Fafone49ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Fairhurst7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Q. Fang33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. F. Farr63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. Farr63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Favata13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Fazi63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Fehrmann9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Feldbaum15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Ferrante14ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Ferrini22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Fidecaro14ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. S. Finn64 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Fiori22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. P. Fisher23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Flaminio35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Foley24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Forsi6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. A. Forte5a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Fotopoulos1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J.-D. Fournier34a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Franc35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Franco31a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Frasca17ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Frasconi14a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Frede9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. A. Frei48 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Z. Frei65 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Freise19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Frey39 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. T. Fricke9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Friedrich9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Fritschel24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. V. Frolov6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M.-K. Fujimoto66 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. J. Fulda15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Fyffe6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Gair57 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Galimberti35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Gammaitoni37ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Garcia18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Garufi5ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. E. Gáspár59 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Gehrels32 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Gelencser65 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Gemme52 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Genin22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Gennai14a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Á. Gergely67 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Ghosh36 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. A. Giaime2,6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Giampanis13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. D. Giardina6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Giazotto14a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Gil-Casanova42 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Gill3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Gleason15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Goetz9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. González2 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Gordon3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. L. Gorodetsky30 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Gossan51 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Goßler9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Gouaty4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Graef9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. B. Graff32 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Granata35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Grant3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Gras24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Gray18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. J. S. Greenhalgh68 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. M. Gretarsson69 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Griffo70 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Grote9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Grover19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Grunewald20 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. M. Guidi38ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Guido6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. K. Gustafson1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Gustafson47 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Hammer13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Hammond3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Hanks18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Hanna71 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Hanson6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Haris72 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Harms62 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. M. Harry73 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. W. Harry23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. D. Harstad39 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. T. Hartman15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Haughian3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Hayama66 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Heefner1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Heidmann40 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. C. Heintze6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Heitmann34a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Hello31a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Hemming22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. A. Hendry3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. S. Heng3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. W. Heptonstall1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Heurs9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Hewitson9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Hild3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Hoak43 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. A. Hodge1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Holt6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Holtrop74 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Hong51 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Hooper33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Hough3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. J. Howell33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Huang101 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. A. Huerta23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Hughey69 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. H. Huttner3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Huynh13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Huynh–Dinh6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. R. Ingram18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Inta54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Isogai24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Ivanov1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. R. Iyer75 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Izumi66 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Jacobson1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. James1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Jang76 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Y. J. Jang63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Jaranowski28d 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Jesse69 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. W. Johnson2 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Jones18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. I. Jones77 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Jones3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R.J.G. Jonker11a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Ju33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Kalmus1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Kalogera63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Kandhasamy78 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Kang76 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. B. Kanner32 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Kasprzack22,31a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Kasturi79 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Katsavounidis24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. Katzman6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Kaufer9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Kawabe18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Kawamura66 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Kawazoe9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Keitel9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Kelley23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. Kells1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. G. Keppel9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Khalaidovski9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Y. Khalili30 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. A. Khazanov80 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. K. Kim76 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Kim76 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Kim81 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Kim27 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Y. M. Kim53 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. J. King1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. L. Kinzel6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. S. Kissel24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Klimenko15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Kline13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Kokeyama2 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Kondrashov1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Koranda13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. Z. Korth1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Kowalska28b 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Kozak1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Kozameh82 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Kremin78 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Kringel9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Krishnan10,9 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Królak28ae 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Kucharczyk27 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Kuehn9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Kumar23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Kumar3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. J. Kuper70 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Kurdyumov27 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Kwee24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Landry18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Lantz27 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. D. Lasky56 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Lawrie3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Lazzarini1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Le Roux6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Leaci20 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. H. Lee53 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. K. Lee81 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. M. Lee83 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Lee70 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. R. Leong9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Leroy31a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Letendre4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Levine18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Lhuillier18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. G. F. Li11a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. C. Lin27 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Litvine1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Y. Liu46 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Z. Liu15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. A. Lockerbie84 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Lodhia19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Loew69 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Logue3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. L. Lombardi41 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Lorenzini49ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Loriette31b 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Lormand6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Losurdo38a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Lough23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Lubinski18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Lück9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. P. Lundgren9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Macarthur3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Macdonald7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Machenschalk9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. MacInnis24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. M. Macleod7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Magana-Sandoval70 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Mageswaran1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Mailand1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Majorana17a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Maksimovic31b 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Malvezzi49a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Man34a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Manca20 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Mandel19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Mandic78 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Mantovani14a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Marchesoni37ac 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Marion4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Márka26 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Z. Márka26 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Markosyan27 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Maros1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Marque22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Martelli38ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. W. Martin3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. M. Martin15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Martonov1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. N. Marx1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Mason24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Masserot4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Matichard24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Matone26 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. A. Matzner85 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Mavalvala24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. May15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Mazzolo9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. McAuley29 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. McCarthy18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. E. McClelland54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. C. McGuire86 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. McIntyre1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. McIver43 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. D. Meadors47 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Mehmet9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Meidam11a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Meier10,9 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Melatos56 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Mendell18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. A. Mercer13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Meshkov1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Messenger7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. S. Meyer6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Miao51 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Michel35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Milano5ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Miller54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Y. Minenkov49a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. M. F. Mingarelli19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Mitra60 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. P. Mitrofanov30 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Mitselmakher15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Mittleman24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Moe13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Mohan22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. R. P. Mohapatra23,48 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Mokler10,9 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Moraru18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Moreno18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Morgado35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Mori66 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. R. Morriss44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Mossavi9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Mours4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. M. Mow–Lowry9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. L. Mueller15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Mueller15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Mukherjee44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Mullavey2,54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Munch87 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Murphy26 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. G. Murray3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Mytidis15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Nanda Kumar15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Nash1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Naticchioni17ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Nayak88 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Necula15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Neri37ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Newton3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Nguyen54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Nishida66 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Nishizawa66 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Nitz23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Nocera22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Nolting6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. E. Normandin44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Nuttall7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Ochsner13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. O’Dell68 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Oelker24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. H. Ogin1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. J. Oh89 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. H. Oh89 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Ohme7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Oppermann9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. O’Reilly6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. O’Shaughnessy13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Osthelder1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. D. Ott51 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. J. Ottaway87 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. S. Ottens15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Ou101 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Overmier6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. J. Owen64 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Padilla70 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Page19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Pai72 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Palladino49ac 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Palomba17a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Y. Pan41 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Pankow13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Paoletti14a,22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Paoletti14ac 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. A. Papa20,13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Paris18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Parisi5ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. Parkinson90 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Pasqualetti22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Passaquieti14ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Passuello14a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Pedraza1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Penn79 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Peralta20 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Perreca23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Phelps1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Pichot34a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Pickenpack9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Piergiovanni38ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Pierro8 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Pinard35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. M. Pinto8 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Pitkin3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. J. Pletsch9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Poggiani14ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Pöld9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Postiglione91 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Poux1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Predoi7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Prestegard78 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. R. Price1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Prijatelj9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Privitera1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. A. Prodi61ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. G. Prokhorov30 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA O. Puncken44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Punturo37a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Puppo17a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Quetschke44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Quintero1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Quitzow-James39 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. J. Raab18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. S. Rabeling11ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Rácz59 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Radkins18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Raffai26 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Raja92 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Rakhmanov44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Ramet6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Rapagnani17ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Raymond1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Re49ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. M. Reed18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Reed93 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Regimbau34a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Reid94 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. H. Reitze1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Ricci17ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Riesen6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Riles47 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Roberts27 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. A. Robertson1,3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Robinet31a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. L. Robinson20 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Rocchi49a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Roddy6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Rodriguez63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Rodriguez85 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Rodruck18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Rolland4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. G. Rollins1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. D. Romano44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Romano5ac 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. H. Romie6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Rosińska28cf 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Röver9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Rowan3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Rüdiger9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Ruggi22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Ryan18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Salemi9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Sammut56 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Sandberg18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Sanders47 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Sankar24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Sannibale1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Santamaría1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Santiago-Prieto3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Saracco35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Sassolas35 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. S. Sathyaprakash7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. R. Saulson23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. L. Savage18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Schilling9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Schnabel9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. M. S. Schofield39 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Schuette9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Schulz9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. F. Schutz20,7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Schwinberg18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Scott3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. M. Scott54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Seifert1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Sellers6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. S. Sengupta95 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Sentenac22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Sergeev80 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. A. Shaddock54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Shah96 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Shaltev9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Z. Shao1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Shapiro27 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Shawhan41 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. H. Shoemaker24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. L Sidery19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA X. Siemens13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Sigg18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Simakov9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Singer1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Singer1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. M. Sintes42 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. R. Skelton13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. J. J. Slagmolen54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Slutsky9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. R. Smith70 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. R. Smith1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. J. E. Smith19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. D. Smith-Lefebvre1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. J. Son89 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Sorazu3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Souradeep60 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Sperandio49ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Stefszky54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Steinert18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Steinlechner9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Steinlechner9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Steplewski36 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Stevens63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Stochino54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Stone44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. A. Strain3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. E. Strigin30 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. S. Stroeer44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Sturani38ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. L. Stuver6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Z. Summerscales97 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Susmithan33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. J. Sutton7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Swinkels22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Szeifert65 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Tacca22 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Taffarello61c 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Talukder39 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. B. Tanner15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. P. Tarabrin9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Taylor1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. P. M. ter Braack11a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Thomas6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Thomas18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. A. Thorne6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. S. Thorne51 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Thrane1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA V. Tiwari15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. V. Tokmakov84 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Tomlinson58 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Toncelli14ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Tonelli14ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA O. Torre14ac 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. V. Torres44 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. I. Torrie1,3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA E. Tournefier4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Travasso37ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Traylor6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Tse26 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Ugolini98 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. S. Unnikrishnan99 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Vahlbruch10,9 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Vajente14ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Vallisneri51 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. F. J. van den Brand11ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Van Den Broeck11a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. van der Putten11a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. V. van der Sluys63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. A. van Veggel3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Vass1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Vasuth59 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Vaulin24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Vavoulidis31a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Vecchio19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Vedovato61c 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Veitch7 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Venkateswara100 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Verkindt4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Verma33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Vetrano38ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Viceré38ab 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Vincent-Finley86 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J.-Y. Vinet34a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Vitale24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Vitale11a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Vo18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Vocca37a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Vorvick18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. D. Vousden19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. P. Vyatchanin30 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Wade54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Wade13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Wade13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. J. Waldman24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Wallace1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA Y. Wan46 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Wang101 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Wang19 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA X. Wang46 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Wanner9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. L. Ward25,54 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Was9,10,31a 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Weinert9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. J. Weinstein1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Weiss24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Welborn6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Wen33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. Wessels9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. West23 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Westphal9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Wette9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. T. Whelan48 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. J. White58 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. F. Whiting15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA K. Wiesner9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Wilkinson18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA P. A. Willems1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Williams15 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Williams1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA T. Williams90 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. L. Willis102 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA B. Willke9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Wimmer9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Winkelmann9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA W. Winkler9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. C. Wipf24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. G. Wiseman13 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Wittel9,10 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA G. Woan3 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA R. Wooley6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Worden18 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Yablon63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA I. Yakushin6 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Yamamoto1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. C. Yancey41 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Yang51 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA D. Yeaton-Massey1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA S. Yoshida90 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Yum63 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Yvert4 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA A. Zadrożny28e 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. Zanolin69 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J.-P. Zendri61c 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA F. Zhang24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA L. Zhang1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA C. Zhao33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA H. Zhu64 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA X. J. Zhu33 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA N. Zotov93 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA M. E. Zucker24 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA J. Zweizig1 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA (The LIGO Scientific Collaboration and the Virgo Collaboration) 1LIGO - California Institute of Technology, Pasadena, CA 91125, USA ###### Abstract We present a possible observing scenario for the Advanced LIGO and Advanced Virgo gravitational wave detectors over the next decade, with the intention of providing information to the astronomy community to facilitate planning for multi-messenger astronomy with gravitational waves. We determine the expected sensitivity of the network to transient gravitational-wave signals, and study the capability of the network to determine the sky location of the source. For concreteness, we focus primarily on gravitational-wave signals from the inspiral of binary neutron star (BNS) systems, as the source considered likely to be the most common for detection and also promising for multimessenger astronomy. We find that confident detections will likely require at least 2 detectors operating with BNS sensitive ranges of at least 100 Mpc, while ranges approaching 200 Mpc should give at least $\sim$1 BNS detection per year even under pessimistic predictions of signal rates. The ability to localize the source of the detected signals depends on the geographical distribution of the detectors and their relative sensitivity, and can be as large as thousands of square degrees with only 2 sensitive detectors operating. Determining the sky position of a significant fraction of detected signals to areas of 5 deg2 to 20 deg2 will require at least 3 detectors of sensitivity within a factor of $\sim$ 2 of each other and with a broad frequency bandwidth. Should one of the LIGO detectors be relocated in India as expected, many gravitational-wave signals will be localized to a few square degrees by gravitational-wave observations alone. ## 1 Introduction Advanced LIGO (aLIGO) [1] and Advanced Virgo (AdV) [2, 3] are kilometer-scale gravitational wave (GW) detectors that are expected to yield direct observations of gravitational waves. In this document we describe the currently projected schedule, sensitivity, and sky localization accuracy for the GW detector network. The purpose of this document is to provide information to the astronomy community to assist in the formulation of plans for the upcoming era of GW observations. In particular, we intend this document to provide the information required for assessing the features of programs for joint observation of GW events using electromagnetic, neutrino, or other observing facilities. The full science of aLIGO and AdV is broad [4], and is not covered in this document. We concentrate solely on candidate GW transient signals. We place particular emphasis on the coalescence of neutron-star binary systems, which are the GW source with the most reliable predictions on the prospects of detection. Although our collaborations have amassed a great deal of experience with GW detectors and analysis, it is still very difficult to make predictions for both improvements in search methods and for the rate of progress for detectors which are not yet fully installed or operational. We stress that the scenarios of LIGO and Virgo detector sensitivity evolution and observing times given here represent our best estimates at present. They should not be considered as fixed or firm commitments. As the detectors’ construction and commissioning progresses, we intend to release updates versions of this document. ## 2 Commissioning and Observing Phases We divide the roadmap for the aLIGO and AdV observatories into three phases: 1. 1. Construction includes the installation and testing of the detectors. This phase ends with acceptance of the detectors. Acceptance means that the interferometers can lock for periods of hours: light is resonant in the arms of the interferometer with _no guaranteed gravitational-wave sensitivity._ Construction will likely involve several short engineering runs with no expected astrophysical output as the detectors progress towards acceptance. 2. 2. Commissioning will take the detectors from their configuration at acceptance through progressively better sensitivity to the ultimate second-generation detector sensitivity. Engineering and science runs in the commissioning phase will allow us to understand our detectors and analyses in an observational mode. It is expected that science runs will produce astrophysical results, including upper limits on the rate of sources and quite possibly the first detections of GWs. During this phase, exchange of GW candidates with partners outside the LSC and Virgo collaborations will be governed by memoranda of understanding (MOUs) [5]. 3. 3. Observing runs begin when the detectors are at a sensitivity which makes detections likely. We anticipate that there will be a gradual transition from the commissioning to the observing phases. If it has not happened previously, the first few GW signals will be observed and the LSC and Virgo will be engaged in a long-term campaign to observe the GW sky. After the first four detections [5] we expect free exchange of GW event candidates with the astronomical community and the maturation of GW astronomy. The progress in sensitivity as a function of time will affect the duration of the runs that we plan at any stage, as we strive to minimize the time to the first gravitational wave detection. Commissioning is a complex process which involves both scheduled improvements to the detectors and tackling unexpected new problems. While our experience makes us cautiously optimistic regarding the schedule for the advanced detectors, we note that we are targeting an order of magnitude improvement in sensitivity relative to the previous generation of detectors over a much wider frequency band. Consequently it is not possible to make concrete predictions for sensitivity as a function of time. We can, however, use our previous experience as a guide to plausible scenarios for the detector operational states that will allow us to reach the desired sensitivity. Unexpected problems could slow down the commissioning, but there is also the possibility that progress may happen faster than predicted here. As the detectors begin to be commissioned, information on the cost in time and benefit in sensitivity will become more apparent and drive the schedule of runs. More information on event rates, including the first detection, will also very likely change the schedule and duration of runs. In section 2.1 we present the commissioning plans for the aLIGO and AdV detectors. A summary of expected science runs is in section 2.2. ### 2.1 Commissioning and Observing Roadmap The anticipated strain sensitivity evolution for aLIGO and AdV is shown in Fig. 1. A standard figure of merit for the sensitivity of an interferometer is the binary neutron star (BNS) range: the volume- and orientation-averaged distance at which a compact binary coalescence consisting of two $\mathrm{1.4\,M_{\odot}}$ neutron stars gives a matched filter signal-to-noise ratio of 8 in a single detector [6]111 Another often quoted number is the BNS _horizon_ —the distance at which an optimally oriented and located BNS system would be observed with a signal to noise ratio of 8. The horizon is a factor of 2.26 larger than the range. . The BNS ranges for the various stages of aLIGO and AdV expected evolution are also provided in Fig. 1. Figure 1: aLIGO (left) and AdV (right) target strain sensitivity as a function of frequency. The average distance to which binary neutron star (BNS) signals could be seen is given in Mpc. Current notions of the progression of sensitivity are given for early, middle, and late commissioning phases, as well as the final design sensitivity target and the BNS-optimized sensitivity. While both dates and sensitivity curves are subject to change, the overall progression represents our best current estimates. The installation of aLIGO is well underway. The plan calls for three identical 4 km interferometers, referred to as H1, H2, and L1. In 2011, the LIGO Lab and IndIGO consortium in India proposed installing one of the aLIGO Hanford detectors, H2, at a new observatory in India (LIGO-India). As of early 2013 LIGO Laboratory has begun preparing the H2 interferometer for shipment to India. Funding for the Indian portion of LIGO-India is in the final stages of consideration by the Indian government. The first aLIGO science run is expected in 2015. It will be of order three months in duration, and will involve the H1 and L1 detectors (assuming H2 is placed in storage for LIGO-India). The detectors will _not_ be at full design sensitivity; we anticipate a possible BNS range of 40 – 80 Mpc. Subsequent science runs will have increasing duration and sensitivity. We aim for a BNS range of 80 – 170 Mpc over 2016–18, with science runs of several months. Assuming that no unexpected obstacles are encountered, the aLIGO detectors are expected to achieve a 200 Mpc BNS range circa 2019. After the first observing runs, circa 2020, it might be desirable to optimize the detector sensitivity for a specific class of astrophysical signals, such as BNSs. The BNS range may then become 215 Mpc. The sensitivity for each of these stages is shown in Fig. 1. Because of the planning for the installation of one of the LIGO detectors in India, the installation of the H2 detector has been deferred. This detector will be reconfigured to be identical to H1 and L1 and will be installed in India once the LIGO-India Observatory is complete. The final schedule will be adopted once final funding approvals are granted. It is expected that the site development would start in 2014, with installation of the detector beginning in 2018. Assuming no unexpected problems, first runs are anticipated circa 2020 and design sensitivity at the same level as the H1 and L1 detectors is anticipated for no earlier than 2022. The commissioning timeline for AdV [3] is still being defined, but it is anticipated that in 2015 AdV might join the LIGO detectors in their first science run depending on the sensitivity attained. Following an early step with sensitivity corresponding to a BNS range of 20 – 60 Mpc, commissioning is expected to bring AdV to a 60 – 85 Mpc in 2017–18. A configuration upgrade at this point will allow the range to increase to approximately 65 – 115 Mpc in 2018–20. The final design sensitivity, with a BNS range of 130 Mpc, is anticipated circa 2021. The corresponding BNS-optimised range would be 145 Mpc. The sensitivity curves for the various AdV configurations are shown in Fig. 1. The GEO600 [7] detector will likely be operational in the early to middle phase of the AdV and aLIGO science runs, i.e. from 2015–2017. The sensitivity that potentially can be achieved by GEO in this timeframe is similar to the AdV sensitivity of the early and mid scenarios at frequencies around 1 kHz and above. Around 100 Hz GEO will be at least 10 times less sensitive than the early AdV and aLIGO detectors. Japan has recently begun the construction of an advanced detector, KAGRA [8]. KAGRA is designed to have a BNS range comparable to AdV at final sensitivity. While we do not consider KAGRA in this document, we note that the addition of KAGRA to the worldwide GW detector network will improve both sky coverage and localization capabilities beyond those envisioned here. ### 2.2 Estimated observing schedule Keeping in mind the mentioned important caveats about commissioning affecting the scheduling and length of science runs, the following is a plausible scenario for the operation of the LIGO-Virgo network over the next decade: * • 2015: A 3 month run with the two-detector H1L1 network at early aLIGO sensitivity (40 – 80 Mpc BNS range). Virgo in commissioning at $\sim$ 20 Mpc with a chance to join the run. * • 2016–17: A 6 month run with H1L1 at 80 – 120 Mpc and Virgo at 20 – 60 Mpc. * • 2017–18: A 9 month run with H1L1 at 120 – 170 Mpc and Virgo at 60 – 85 Mpc. * • 2019+: Three-detector network with H1L1 at full sensitivity of 200 Mpc and V1 at 65 – 130 Mpc. * • 2022+: Four-detector H1L1V1+LIGO-India network at full sensitivity (aLIGO at 200 Mpc, AdV at 130 Mpc). The observational implications of this scenario are discussed in section 4. ## 3 Searches for gravitational-wave transients Data from gravitational wave detectors are searched for many types of possible signals [4]. Here we focus on signals from compact binary coalescences (CBC), including BNS systems, and on generic transient or burst signals. See [9, 10, 11] for recent observational results from LIGO and Virgo for such systems. The gravitational waveform from a binary neutron star coalescence is well modelled and matched filtering can be used to search for signals and measure the system parameters. For systems containing black holes, or in which the component spin is significant, uncertainties in the waveform model can reduce the sensitivity of the search. Searches for bursts make few assumptions on the signal morphology, using time-frequency decompositions to identify statistically significant excess power transients in the data. Burst searches generally perform best for short-duration signals ($\lesssim$1 s); their astrophysical targets include core-collapse supernovae, magnetar flares, black hole binary coalescence, cosmic string cusps, and possibly as-yet-unknown systems. In the era of advanced detectors, the LSC and Virgo will search in near real- time for CBC and burst signals for the purpose of rapidly identifying event candidates. A prompt notice of a potential GW transient by LIGO-Virgo might enable followup observations in the electromagnetic spectrum. A first followup program including low-latency analysis, event candidate selection, position reconstruction and the sending of alerts to several observing partners (optical, X-ray, and radio) was implemented and exercised during the 2009–2010 LIGO-Virgo science run [12, 13, 14]. Latencies of less than 1 hour were achieved and we expect to improve this in the advanced detector era. Increased detection confidence, improved sky localization, and identification of host galaxy and redshift are just some of the benefits of joint GW-electromagnetic observations. With this in mind, we focus on two points of particular relevance for followup of GW events: the source localization afforded by a GW network and the relationship between signal significance (or false alarm rate) and localization. ### 3.1 Localization The aLIGO-AdV network will determine the sky position of a GW transient source mainly by triangulation using the observed time delays between sites [15, 16]. The effective single-site timing accuracy is approximately $\sigma_{t}=\frac{1}{2\pi\rho\sigma_{f}}\,,$ (1) where $\rho$ is the signal-to-noise ratio in the given detector and $\sigma_{f}$ is the effective bandwidth of the signal in the detector, typically of order $100$ Hz. Thus a typical timing accuracy is on the order of $10^{-4}$ s (about $1/100$ of the light travel time between sites). This sets the localization scale. Equation (1) ignores many other relevant issues such as uncertainty in the emitted gravitational waveform, instrumental calibration accuracies, and correlation of sky location with other binary parameters [15, 17, 18, 19, 20, 21]. While many of these will affect the measurement of the time of arrival in individual detectors, such factors are largely common between two similar detectors, so the time difference between the two detectors is relatively uncorrelated with these “nuisance” parameters. The triangulation approach therefore provides a good leading order estimate to localizations. Source localization using only timing for a 2-site network yields an annulus on the sky; see Fig. 2. Additional information such as signal amplitude, spin, and precessional effects can sometimes resolve this to only parts of the annulus, but even then sources will only be localized to regions of hundreds to thousands of square degrees. For three detectors, the time delays restrict the source to two sky regions whose locations are mirror images in the plane formed by the three detectors. It is often possible to eliminate one of these regions by requiring consistent amplitudes in all detectors. For signals just above the detection threshold, this typically yields regions with areas of several tens of square degrees. If there is significant difference in sensitivity between detectors, the source is less well localized and we may be left with the majority of the annulus on the sky determined by the two most sensitive detectors. With four or more detectors, timing information alone is sufficient to localize to a single sky region, and the additional baselines help to limit the region to under 10 square degrees for some signals. Figure 2: Source localization by triangulation for the aLIGO-AdV network. The locus of constant time delay (with associated timing uncertainty) between two detectors forms an annulus on the sky concentric about the baseline between the two sites. For three detectors, these annuli may intersect in two locations. One is centered on the true source direction, $S$, while the other ($S^{\prime}$) is its mirror image with respect to the geometrical plane passing through the three sites. For four or more detectors there is a unique intersection region of all of the annuli. Figure adapted from [22]. From (1), it follows that the linear size of the localization ellipse scales inversely with the signal to noise ratio (SNR) of the signal and the frequency bandwidth of the signal in the detector. For GWs that sweep across the band of the detector, such as binary merger signals, the effective bandwidth is $\sim 100$ Hz, determined by the most sensitive frequencies of the detector. For shorter transients the bandwidth $\sigma_{f}$ depends on the specific signal. For example, GWs emitted by various processes in core-collapse supernovae are anticipated to have relatively large bandwidths, between 150-500 Hz [23, 24, 25, 26], largely independent of detector configuration. By contrast, the sky localization region for narrowband burst signals may consist of multiple disconnected regions; see for example [27, 12]. Finally, we note that some GW searches are triggered by electromagnetic observations, and in these cases localization information is known a priori. For example, in GW searches triggered by gamma-ray bursts [10] the triggering satellite provides the localization. The rapid identification of a GW counterpart to such a trigger could prompt further followups by other observatories. This is of particular relevance to binary mergers, which are considered the likely progenitors of most short gamma-ray bursts. It is therefore important to have high-energy satellites operating during the advanced detector era. Finally, it is also worth noting that all GW data are stored permanently, so that it is possible to perform retroactive analyses at any time. ### 3.2 Detection and False Alarm Rates The rate of BNS coalescences is uncertain, but is currently predicted to lie between $10^{-8}-10^{-5}$ Mpc-3 yr-1 [28]. This corresponds to between 0.4 and 400 signals above SNR 8 per year of observation for a single aLIGO detector at final sensitivity [28]. The predicted observable rates for NS-BH and BBH are similar. Expected rates for other transient sources are lower and/or less well constrained. The rate of false alarm triggers above a given SNR will depend critically upon the data quality of the advanced detectors; non-stationary transients or glitches will produce an elevated background of loud triggers. For low-mass binary coalescence searches, the waveforms are well modelled and signal consistency tests reduce the background significantly. For burst sources which are not well modelled, or which spend only a short time in the detectors’ sensitive band, it is more difficult to distinguish between the signal and a glitch, and so a reduction of the false alarm rate comes at a higher cost in terms of reduced detection efficiency. Figure 3: False alarm rate versus detection statistic for CBC and burst searches on 2009-2010 LIGO-Virgo data. Left: Cumulative rate of background events for the CBC search, as a function of the threshold ranking statistic $\rho_{c}$ [9]. Right: Cumulative rate of background events for the burst search, as a function of the coherent network amplitude $\eta$ [11]. In the large-amplitude limit $\eta$ is related to the combined SNR by $\rho_{c}\sim\sqrt{2K}\eta$, where $K$ is the number of detectors. The burst events are divided into two sets based on their central frequency. Figure 3 shows the noise background as a function of detection statistic for the low-mass binary coalescence and burst searches with the 2009–2010 LIGO- Virgo data [9, 11]. For binary mergers, the background rate decreases by a factor of $\sim$100 for every unit increase in combined SNR $\rho_{c}$, with no evidence of a tail even at low false alarm rates. Here, $\rho_{c}$ is a combined, re-weighted SNR. The re-weighting is designed to reduce the SNR of glitches while leaving signals largely unaffected. Consequently, for a signal $\rho_{c}$ is essentially the root-sum-square of the SNRs in the individual detectors. We conservatively estimate a $\rho_{c}$ threshold of 12 is required for a false rate below $\sim$ $10^{-2}$ yr-1 in aLIGO-AdV, where we have taken into account trials factors due to the increase in the number of template waveforms required to search the advanced detector data. In future sections, we quote results for this threshold. A combined SNR of 12 corresponds to a single detector SNR of 8.5 in each of two detectors or 7 in three detectors. At this threshold we estimate approximately a quarter of detected signals can be localized with 90% containment to areas of 20 deg2 or less by the H1L1V1 network at design sensitivity; see the 2019$+$ epoch in Table 1 for details. For a background rate of 1 yr-1 (100 yr-1) the threshold $\rho_{c}$ decreases by about 10% (20%), the number of signals above threshold increases by about 30% (90%), and the area localization for these low-threshold signals is degraded by approximately 20% (60%). Imperfections in the data can have a greater effect on the burst search. At frequencies above 200 Hz the rate of background events falls off steeply as a function of amplitude. At lower frequencies, however, the data often exhibit a significant tail of loud background events that are not removed by multi- detector consistency tests. While the extent of these tails varies, when present they typically begin at rates of approximately 1 yr-1, hindering the confident detection of low-frequency gravitational-wave transients. Although the advanced detectors are designed with many technical improvements, we must anticipate that burst searches will likely still have to deal with such tails in some cases, particularly at low frequencies. The unambiguous observation of an electromagnetic counterpart could increase the detection confidence in these cases. A study [27] of the localization capability of the burst search for the aLIGO- AdV network using a variety of waveform morphologies finds that at an SNR of $\rho_{c}\simeq 17$ (false rate of $\lesssim 0.1$ yr-1 from Fig. 3) the typical error box area for 50% (90%) containment is approximately 40 deg2 (400 deg2). The median 50% containment area increases to 100 deg2 at $\rho_{c}\simeq 12$, and drops to approximately 16 deg2 at $\rho_{c}\simeq 25$. These results are broadly consistent with a study of two burst detection algorithms using real LIGO-Virgo data from 2009 [12], which shows that for signals near the nominal search threshold (coherent network amplitude $\eta\gtrsim 6$, corresponding $\rho_{c}\gtrsim 15$ [11]) median containment regions are typically between 30 deg2 and 200 deg2, dropping to approximately 10 deg2 at large amplitudes. See Fig. 4 for an example. Figure 4: (left) Plot of typical uncertainty region sizes for the burst search, as a function of GW strain amplitude at Earth, for a mix of ad hoc Gaussian, sine-Gaussian, and broadband white-noise burst waveforms [12]. The “searched area” is the area of the skymap with a likelihood value greater than the likelihood value at the true source location. The solid line represents the median (50%) performance, while the upper and lower limits of the shaded area show the 75% and 25% quartile values. The detection threshold of $\eta~{}\simeq 6$ corresponds to signal root-sum-square amplitudes ($h_{\mathrm{rss}}^{2}=\int[h_{+}^{2}+h_{\times}^{2}]dt$) of approximately $h_{\text{rss}}\sim 0.5\times 10^{-21}\,\text{Hz}^{-1/2}$ to $\sim 2\times 10^{-21}\,\text{Hz}^{-1/2}$ [11], depending on signal frequency. Median uncertainty regions at these amplitudes are typically between 30 deg2 and 200 deg2. (right) Typical uncertainty region sizes for two specific signal models: short-duration Gaussian-modulated sinusoids (sine-Gaussians) with central frequency 153 Hz or 1053 Hz and bandwidths of 17 Hz or 117 Hz. The larger- bandwidth signal is more precisely localized, as expected from the discussion in Sect. 3.1. See [12] for more details. ## 4 Observing Scenario In this section we estimate the sensitivity, possible number of detections, and localization capability for each of the observing scenarios laid out in section 2.2. We discuss each future science run in turn and also summarize the results in Table 1. We estimate the expected number of binary neutron star coalescence detections using both the lower and upper estimates on the BNS source rate density, $10^{-8}-10^{-5}$ Mpc-3 yr-1 [28]. Similar estimates may be made for neutron star – black hole (NS-BH) binaries using the fact that the NS-BH range is approximately a factor of 2 larger222This assumes a black hole mass of $10\,M_{\odot}$. than the BNS range, though the uncertainty in the NS-BH source rate density is slightly larger [28]. We assume a nominal $\rho_{c}$ threshold of 12, at which the expected false alarm rate is $10^{-2}$ yr-1. However, such a stringent threshold may not be appropriate for selecting candidates triggers for electromagnetic followup. For example, selecting CBC candidates at thresholds corresponding to a higher background rate of 1 yr-1 (100 yr-1) would increase the number of true signals subject to electromagnetic followup by about 30% (90%). The area localization for these low-threshold signals is only fractionally worse than for the high-threshold population – by approximately 20% (60%). The localization of NS-BH signals is expected to be similar to that of BNS signals. For typical burst sources the GW waveform is not well known. However, the performance of burst searches is largely independent of the detailed waveform morphology [11], allowing us to quote an approximate sensitive range determined by the total energy $E_{\mathrm{GW}}$ emitted in GWs, the central frequency $f_{0}$ of the burst, the detector noise spectrum $S(f_{0})$, and the single-detector SNR threshold $\rho_{\mathrm{det}}$ [29]: $D\simeq\left(\frac{G}{2\pi^{2}c^{3}}\frac{E_{\mathrm{GW}}}{S(f_{0})f_{0}^{2}\rho_{\mathrm{det}}^{2}}\right)^{\frac{1}{2}}\,.$ In this document we quote ranges using $E_{\mathrm{GW}}=10^{-2}M_{\odot}c^{2}$ and $f_{0}=150$ Hz. We note that $E_{\mathrm{GW}}=10^{-2}M_{\odot}c^{2}$ is an optimistic value for GW emission by various processes (see e.g. [10]); for other values the distance reach scales as $E_{\mathrm{GW}}^{1/2}$. We use a single-detector SNR threshold of 8, corresponding to a typical $\rho_{c}\simeq 12$ and false alarm rates of $\sim$0.3 yr-1. Due to the tail of the low- frequency background-rate-vs.-amplitude distribution in Fig. 3, we see that varying the selection threshold from a background of $0.1$ yr-1 ($\rho_{c}\gtrsim 15$) to even 3 yr-1 ($\rho_{c}\gtrsim 10$) would increase the number of true signals selected for electromagnetic followup by a factor $(15/10)^{3}\sim 3$, though the area localization for low-SNR bursts may be particularly challenging. The run durations discussed below are in calendar time. Based on prior experience, we can reasonably expect a duty cycle of $\sim$80% for each instrument after a few science runs. Assuming downtime periods are uncorrelated among detectors, this means 50% coincidence time in a 3-detector network. Our estimates of expected number of detections account for these duty cycles. They also account for the uncertainty in the detector sensitive ranges as indicated in Fig. 1. ### 4.1 2015 run: aLIGO 40 – 80 Mpc, AdV 20 Mpc This is envisioned as the first advanced detector science run, lasting three months. The aLIGO sensitivity is expected to be similar to the “early” curve in Fig. 1, with a BNS range of 40 – 80 Mpc and a burst range of 40 – 60 Mpc. The Virgo detector will be in commissioning, but may join the run with a $\sim$ 20 Mpc BNS range. A three month run gives a BNS search volume333 The search volume is ${4\over 3}\pi R^{3}\times T$, where $R$ is the range and $T$ the observing time. of $(0.4-3)\times 10^{5}$ Mpc3 yr at the confident detection threshold of $\rho_{c}=12$. We therefore expect $0.0004-3$ BNS detections. A detection is likely only if the most optimistic astrophysical rates hold. With the 2-detector H1-L1 network any detected events would not be well localized, and even if AdV joins the run this will continue to be the case due to its lower sensitivity. Follow-up observations of a GW signal would therefore likely rely on localizations provided by another instrument, such as a gamma-ray burst satellite. ### 4.2 2016–17 run: aLIGO 80 – 120 Mpc, AdV 20 – 60 Mpc This is envisioned to be a six month run with three detectors. The aLIGO performance is expected to be similar to the “mid” curve in Fig. 1, with a BNS range of 80 – 120 Mpc and a burst range of 60 – 75 Mpc. The AdV range may be similar to the “early” curve, approximately 20 – 60 Mpc for BNS and 20 – 40 Mpc for bursts. This gives a BNS search volume of $(0.6-2)\times 10^{6}$ Mpc3 yr, and an expected number of $0.006-20$ BNS detections. Source localization for various points in the sky for CBC signals for the 3-detector network is illustrated in Fig. 5. ### 4.3 2017–18 run: aLIGO 120 – 170 Mpc, AdV 60 – 85 Mpc This is envisioned to be a nine month run with three detectors. The aLIGO (AdV) sensitivity will be similar to the “late” (“mid”) curve of Fig. 1, with BNS ranges of 120 – 170 Mpc and 60 – 85 Mpc respectively and burst ranges of 75 – 90 Mpc and 40 – 50 Mpc respectively. This gives a BNS search volume of $(3-10)\times 10^{6}$ Mpc3 yr, and an expected $0.04-100$ BNS detections. Source localization for CBC signals is illustrated in Fig. 5. While the greater range compared to the 2016–17 run increases the expected number of detections, the detector bandwidths are marginally smaller. This slightly degrades the localization capability for a source at a fixed signal-to-noise ratio. ### 4.4 2019+ run: aLIGO 200 Mpc, AdV 65 – 130 Mpc At this point we anticipate extended runs with the detectors at or near design sensitivity. The aLIGO detectors are expected to have a sensitivity curve similar to the “design (2019)” curve of Fig. 1. AdV may be operating similarly to the “late” curve, eventually reaching the “design” sensitivity c.2021. This gives a per-year BNS search volume of $2\times 10^{7}$ Mpc3 yr, giving an expected (0.2 - 200) confident BNS detections annually. Source localization for CBC signals is illustrated in Fig. 5. The fraction of signals localized to areas of a few tens of square degrees is greatly increased compared to previous runs. This is due to the much larger detector bandwidths, particularly for AdV; see Fig. 1. ### 4.5 2022+ run: aLIGO (including India) 200 Mpc, AdV 130 Mpc The four-site network incorporating LIGO-India at design sensitivity will have both improved sensitivity and better localization capabilities. The per-year BNS search volume increases to $4\times 10^{7}$ Mpc3 yr, giving an expected $0.4-400$ BNS detections annually. Source localization is illustrated in Fig. 5. The addition of a fourth detector site allows for good source localization over the whole sky. Figure 5: Network sensitivity and localization accuracy for face-on BNS systems with advanced detector networks. The ellipses show 90% confidence localization areas, and the red crosses show regions of the sky where the signal would not be confidently detected. The top two plots show the localization expected for a BNS system at 80 Mpc by the HLV network in the 2016–17 run (left) and 2017–18 run (right). The bottom two plots show the localization expected for a BNS system at 160 Mpc by the HLV network in the 2019+ run (left) and by the HILV network in 2022+ with all detectors at final design sensitivity (right). The inclusion of a fourth site in India provides good localization over the whole sky. | Estimated | $E_{\mathrm{GW}}=10^{-2}M_{\odot}c^{2}$ | | Number | % BNS Localized ---|---|---|---|---|--- | Run | Burst Range (Mpc) | BNS Range (Mpc) | of BNS | within Epoch | Duration | LIGO | Virgo | LIGO | Virgo | Detections | $5\deg^{2}$ | $20\deg^{2}$ 2015 | 3 months | 40 – 60 | – | 40 – 80 | – | 0.0004 – 3 | – | – 2016–17 | 6 months | 60 – 75 | 20 – 40 | 80 – 120 | 20 – 60 | 0.006 – 20 | 2 | 5 – 12 2017–18 | 9 months | 75 – 90 | 40 – 50 | 120 – 170 | 60 – 85 | 0.04 – 100 | 1 – 2 | 10 – 12 2019+ | (per year) | 105 | 40 – 80 | 200 | 65 – 130 | 0.2 – 200 | 3 – 8 | 8 – 28 2022+ (India) | (per year) | 105 | 80 | 200 | 130 | 0.4 – 400 | 17 | 48 Table 1: Summary of a plausible observing schedule, expected sensitivities, and source localization with the advanced LIGO and Virgo detectors, which will be strongly dependent on the detectors’ commissioning progress. The burst ranges assume standard-candle emission of $10^{-2}M_{\odot}c^{2}$ in GWs at 150 Hz and scale as $E_{\mathrm{GW}}^{1/2}$. The burst and binary neutron star (BNS) ranges and the BNS localizations reflect the uncertainty in the detector noise spectra shown in Fig. 1. The BNS detection numbers also account for the uncertainty in the BNS source rate density [28], and are computed assuming a false alarm rate of $10^{-2}$ yr-1. Burst localizations are expected to be broadly similar to those for BNS systems, but will vary depending on the signal bandwidth. Localization and detection numbers assume an 80% duty cycle for each instrument. ## 5 Conclusions We have presented a possible observing scenario for the Advanced LIGO and Advanced Virgo network of gravitational wave detectors, with emphasis on the expected sensitivities and sky localization accuracies. This network is expected to begin operations in 2015. Unless the most optimistic astrophysical rates hold, two or more detectors with an average range of at least 100 Mpc and with a run of several months will be required for detection. Electromagnetic followup of GW candidates may help confirm GW candidates that would not be confidently identified from GW observations alone. However, such follow-ups would need to deal with large position uncertainties, with areas of many tens to thousands of square degrees. This is likely to remain the situation until late in the decade. Optimizing the EM follow-up and source identification is an outstanding research topic. Triggering of focused searches in GW data by EM-detected events can also help in recovering otherwise hidden GW signals. Networks with at least 2 detectors with sensitivities of the order of 200 Mpc are expected to yield detections with a year of observation based purely on GW data even under pessimistic predictions of signal rates. Sky localization will continue to be poor until a third detector reaches a sensitivity within a factor of $\sim$ 2 of the others and with a broad frequency bandwidth. With a four-site detector network at final design sensitivity, we may expect a significant fraction of GW signals to be localized to as well as a few square degrees by GW observations alone. The purpose of this document is to provide information to the astronomy community to facilitate planning for multi-messenger astronomy with advanced gravitational-wave detectors. While the scenarios described here are our best current projections, they will likely evolve as detector installation and commissioning progresses. We will therefore update this document regularly. The authors gratefully acknowledge the support of the United States National Science Foundation for the construction and operation of the LIGO Laboratory, the Science and Technology Facilities Council of the United Kingdom, the Max- Planck-Society, and the State of Niedersachsen/Germany for support of the construction and operation of the GEO600 detector, and the Italian Istituto Nazionale di Fisica Nucleare and the French Centre National de la Recherche Scientifique for the construction and operation of the Virgo detector. The authors also gratefully acknowledge the support of the research by these agencies and by the Australian Research Council, the International Science Linkages program of the Commonwealth of Australia, the Council of Scientific and Industrial Research of India, the Istituto Nazionale di Fisica Nucleare of Italy, the Spanish Ministerio de Educación y Ciencia, the Conselleria d’Economia Hisenda i Innovació of the Govern de les Illes Balears, the Foundation for Fundamental Research on Matter supported by the Netherlands Organisation for Scientific Research, the Polish Ministry of Science and Higher Education, the FOCUS Programme of Foundation for Polish Science, the Royal Society, the Scottish Funding Council, the Scottish Universities Physics Alliance, The National Aeronautics and Space Administration, the Carnegie Trust, the Leverhulme Trust, the David and Lucile Packard Foundation, the Research Corporation, and the Alfred P. Sloan Foundation. 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arxiv-papers
2013-04-02T15:40:39
2024-09-04T02:49:43.754218
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/4.0/", "authors": "The LIGO Scientific Collaboration, the Virgo Collaboration, and the\n KAGRA Collaboration: B. P. Abbott, R. Abbott, T. D. Abbott, S. Abraham, F.\n Acernese, K. Ackley, C. Adams, V. B. Adya, C. Affeldt, M. Agathos, K.\n Agatsuma, N. Aggarwal, O. D. Aguiar, L. Aiello, A. Ain, P. Ajith, T. Akutsu,\n G. Allen, A. Allocca, M. A. Aloy, P. A. Altin, A. Amato, A. Ananyeva, S. B.\n Anderson, W. G. Anderson, M. Ando, S. V. Angelova, S. Antier, S. Appert, K.\n Arai, Koya Arai, Y. Arai, S. Araki, A. Araya, M. C. Araya, J. S. Areeda, M.\n Ar\\`ene, N. Aritomi, N. Arnaud, K. G. Arun, S. Ascenzi, G. Ashton, Y. Aso, S.\n M. Aston, P. Astone, F. Aubin, P. Aufmuth, K. AultONeal, C. Austin, V.\n Avendano, A. Avila-Alvarez, S. Babak, P. Bacon, F. Badaracco, M. K. M. Bader,\n S. W. Bae, Y. B. Bae, L. Baiotti, R. Bajpai, P. T. Baker, F. Baldaccini, G.\n Ballardin, S. W. Ballmer, S. Banagiri, J. C. Barayoga, S. E. Barclay, B. C.\n Barish, D. Barker, K. Barkett, S. Barnum, F. Barone, B. Barr, L. Barsotti, M.\n Barsuglia, D. Barta, J. Bartlett, M. A. Barton, I. Bartos, R. Bassiri, A.\n Basti, M. Bawaj, J. C. Bayley, M. Bazzan, B. B\\'ecsy, M. Bejger, I.\n Belahcene, A. S. Bell, D. Beniwal, B. K. Berger, G. Bergmann, S. Bernuzzi, J.\n J. Bero, C. P. L. Berry, D. Bersanetti, A. Bertolini, J. Betzwieser, R.\n Bhandare, J. Bidler, I. A. Bilenko, S. A. Bilgili, G. Billingsley, J. Birch,\n R. Birney, O. Birnholtz, S. Biscans, S. Biscoveanu, A. Bisht, M. Bitossi, M.\n A. Bizouard, J. K. Blackburn, C. D. Blair, D. G. Blair, R. M. Blair, S.\n Bloemen, N. Bode, M. Boer, Y. Boetzel, G. Bogaert, F. Bondu, E. Bonilla, R.\n Bonnand, P. Booker, B. A. Boom, C. D. Booth, R. Bork, V. Boschi, S. Bose, K.\n Bossie, V. Bossilkov, J. Bosveld, Y. Bouffanais, A. Bozzi, C. Bradaschia, P.\n R. Brady, A. Bramley, M. Branchesi, J. E. Brau, T. Briant, J. H. Briggs, F.\n Brighenti, A. Brillet, M. Brinkmann, V. Brisson, P. Brockill, A. F. Brooks,\n D. A. Brown, D. D. Brown, S. Brunett, A. Buikema, T. Bulik, H. J. Bulten, A.\n Buonanno, D. Buskulic, C. Buy, R. L. Byer, M. Cabero, L. Cadonati, G.\n Cagnoli, C. Cahillane, J. Calder\\'on Bustillo, T. A. Callister, E. Calloni,\n J. B. Camp, W. A. Campbell, M. Canepa, K. Cannon, K. C. Cannon, H. Cao, J.\n Cao, E. Capocasa, F. Carbognani, S. Caride, M. F. Carney, G. Carullo, J.\n Casanueva Diaz, C. Casentini, S. Caudill, M. Cavagli\\`a, F. Cavalier, R.\n Cavalieri, G. Cella, P. Cerd\\'a-Dur\\'an, G. Cerretani, E. Cesarini, O.\n Chaibi, K. Chakravarti, S. J. Chamberlin, M. Chan, M. L. Chan, S. Chao, P.\n Charlton, E. A. Chase, E. Chassande-Mottin, D. Chatterjee, M. Chaturvedi, K.\n Chatziioannou, B. D. Cheeseboro, C. S. Chen, H. Y. Chen, K. H. Chen, X. Chen,\n Y. Chen, Y. R. Chen, H.-P. Cheng, C. K. Cheong, H. Y. Chia, A. Chincarini, A.\n Chiummo, G. Cho, H. S. Cho, M. Cho, N. Christensen, H. Y. Chu, Q. Chu, Y. K.\n Chu, S. Chua, K. W. Chung, S. Chung, G. Ciani, A. A. Ciobanu, R. Ciolfi, F.\n Cipriano, A. Cirone, F. Clara, J. A. Clark, P. Clearwater, F. Cleva, C.\n Cocchieri, E. Coccia, P.-F. Cohadon, D. Cohen, R. Colgan, M. Colleoni, C. G.\n Collette, C. Collins, L. R. Cominsky, M. Constancio Jr., L. Conti, S. J.\n Cooper, P. Corban, T. R. Corbitt, I. Cordero-Carri\\'on, K. R. Corley, N.\n Cornish, A. Corsi, S. Cortese, C. A. Costa, R. Cotesta, M. W. Coughlin, S. B.\n Coughlin, J.-P. Coulon, S. T. Countryman, P. Couvares, P. B. Covas, E. E.\n Cowan, D. M. Coward, M. J. Cowart, D. C. Coyne, R. Coyne, J. D. E. Creighton,\n T. D. Creighton, J. Cripe, M. Croquette, S. G. Crowder, T. J. Cullen, A.\n Cumming, L. Cunningham, E. Cuoco, T. Dal Canton, G. D\\'alya, S. L.\n Danilishin, S. D'Antonio, K. Danzmann, A. Dasgupta, C. F. Da Silva Costa, L.\n E. H. Datrier, V. Dattilo, I. Dave, M. Davier, D. Davis, E. J. Daw, D. DeBra,\n M. Deenadayalan, J. Degallaix, M. De Laurentis, S. Del\\'eglise, W. Del Pozzo,\n L. M. DeMarchi, N. Demos, T. Dent, R. De Pietri, J. Derby, R. De Rosa, C. De\n Rossi, R. DeSalvo, O. de Varona, S. Dhurandhar, M. C. D\\'iaz, T. Dietrich, L.\n Di Fiore, M. Di Giovanni, T. Di Girolamo, A. Di Lieto, B. Ding, S. Di Pace,\n I. Di Palma, F. Di Renzo, A. Dmitriev, Z. Doctor, K. Doi, F. Donovan, K. L.\n Dooley, S. Doravari, I. Dorrington, T. P. Downes, M. Drago, J. C. Driggers,\n Z. Du, J.-G. Ducoin, P. Dupej, S. E. Dwyer, P. J. Easter, T. B. Edo, M. C.\n Edwards, A. Effler, S. Eguchi, P. Ehrens, J. Eichholz, S. S. Eikenberry, M.\n Eisenmann, R. A. Eisenstein, Y. Enomoto, R. C. Essick, H. Estelles, D.\n Estevez, Z. B. Etienne, T. Etzel, M. Evans, T. M. Evans, V. Fafone, H. Fair,\n S. Fairhurst, X. Fan, S. Farinon, B. Farr, W. M. Farr, E. J. Fauchon-Jones,\n M. Favata, M. Fays, M. Fazio, C. Fee, J. Feicht, M. M. Fejer, F. Feng, A.\n Fernandez-Galiana, I. Ferrante, E. C. Ferreira, T. A. Ferreira, F. Ferrini,\n F. Fidecaro, I. Fiori, D. Fiorucci, M. Fishbach, R. P. Fisher, J. M. Fishner,\n M. Fitz-Axen, R. Flaminio, M. Fletcher, E. Flynn, H. Fong, J. A. Font, P. W.\n F. Forsyth, J.-D. Fournier, S. Frasca, F. Frasconi, Z. Frei, A. Freise, R.\n Frey, V. Frey, P. Fritschel, V. V. Frolov, Y. Fujii, M. Fukunaga, M.\n Fukushima, P. Fulda, M. Fyffe, H. A. Gabbard, B. U. Gadre, S. M. Gaebel, J.\n R. Gair, L. Gammaitoni, M. R. Ganija, S. G. Gaonkar, A. Garcia, C.\n Garc\\'ia-Quir\\'os, F. Garufi, B. Gateley, S. Gaudio, G. Gaur, V. Gayathri, G.\n G. Ge, G. Gemme, E. Genin, A. Gennai, D. George, J. George, L. Gergely, V.\n Germain, S. Ghonge, Abhirup Ghosh, Archisman Ghosh, S. Ghosh, B. Giacomazzo,\n J. A. Giaime, K. D. Giardina, A. Giazotto, K. Gill, G. Giordano, L. Glover,\n P. Godwin, E. Goetz, R. Goetz, B. Goncharov, G. Gonz\\'alez, J. M. Gonzalez\n Castro, A. Gopakumar, M. L. Gorodetsky, S. E. Gossan, M. Gosselin, R. Gouaty,\n A. Grado, C. Graef, M. Granata, A. Grant, S. Gras, P. Grassia, C. Gray, R.\n Gray, G. Greco, A. C. Green, R. Green, E. M. Gretarsson, P. Groot, H. Grote,\n S. Grunewald, P. Gruning, G. M. Guidi, H. K. Gulati, Y. Guo, A. Gupta, M. K.\n Gupta, E. K. Gustafson, R. Gustafson, L. Haegel, A. Hagiwara, S. Haino, O.\n Halim, B. R. Hall, E. D. Hall, E. Z. Hamilton, G. Hammond, M. Haney, M. M.\n Hanke, J. Hanks, C. Hanna, M. D. Hannam, O. A. Hannuksela, J. Hanson, T.\n Hardwick, K. Haris, J. Harms, G. M. Harry, I. W. Harry, K. Hasegawa, C.-J.\n Haster, K. Haughian, H. Hayakawa, K. Hayama, F. J. Hayes, J. Healy, A.\n Heidmann, M. C. Heintze, H. Heitmann, P. Hello, G. Hemming, M. Hendry, I. S.\n Heng, J. Hennig, A. W. Heptonstall, M. Heurs, S. Hild, Y. Himemoto, T.\n Hinderer, Y. Hiranuma, N. Hirata, E. Hirose, D. Hoak, S. Hochheim, D. Hofman,\n A. M. Holgado, N. A. Holland, K. Holt, D. E. Holz, Z. Hong, P. Hopkins, C.\n Horst, J. Hough, E. J. Howell, C. G. Hoy, A. Hreibi, B. H. Hsieh, G. Z.\n Huang, P. W. Huang, Y. J. Huang, E. A. Huerta, D. Huet, B. Hughey, M. Hulko,\n S. Husa, S. H. Huttner, T. Huynh-Dinh, B. Idzkowski, A. Iess, B. Ikenoue, S.\n Imam, K. Inayoshi, C. Ingram, Y. Inoue, R. Inta, G. Intini, K. Ioka, B.\n Irwin, H. N. Isa, J.-M. Isac, M. Isi, Y. Itoh, B. R. Iyer, K. Izumi, T.\n Jacqmin, S. J. Jadhav, K. Jani, N. N. Janthalur, P. Jaranowski, A. C.\n Jenkins, J. Jiang, D. S. Johnson, A. W. Jones, D. I. Jones, R. Jones, R. J.\n G. Jonker, L. Ju, K. Jung, P. Jung, J. Junker, T. Kajita, C. V. Kalaghatgi,\n V. Kalogera, B. Kamai, M. Kamiizumi, N. Kanda, S. Kandhasamy, G. W. Kang, J.\n B. Kanner, S. J. Kapadia, S. Karki, K. S. Karvinen, R. Kashyap, M. Kasprzack,\n S. Katsanevas, E. Katsavounidis, W. Katzman, S. Kaufer, K. Kawabe, K.\n Kawaguchi, N. Kawai, T. Kawasaki, N. V. Keerthana, F. K\\'ef\\'elian, D.\n Keitel, R. Kennedy, J. S. Key, F. Y. Khalili, H. Khan, I. Khan, S. Khan, Z.\n Khan, E. A. Khazanov, M. Khursheed, N. Kijbunchoo, Chunglee Kim, C. Kim, J.\n C. Kim, J. Kim, K. Kim, W. Kim, W. S. Kim, Y.-M. Kim, C. Kimball, N. Kimura,\n E. J. King, P. J. King, M. Kinley-Hanlon, R. Kirchhoff, J. S. Kissel, N.\n Kita, H. Kitazawa, L. Kleybolte, J. H. Klika, S. Klimenko, T. D. Knowles, P.\n Koch, S. M. Koehlenbeck, G. Koekoek, Y. Kojima, K. Kokeyama, S. Koley, K.\n Komori, V. Kondrashov, A. K. H. Kong, A. Kontos, N. Koper, M. Korobko, W. Z.\n Korth, K. Kotake, I. Kowalska, D. B. Kozak, C. Kozakai, R. Kozu, V. Kringel,\n N. Krishnendu, A. Kr\\'olak, G. Kuehn, A. Kumar, P. Kumar, Rahul Kumar, R.\n Kumar, S. Kumar, J. Kume, C. M. Kuo, H. S. Kuo, L. Kuo, S. Kuroyanagi, K.\n Kusayanagi, A. Kutynia, K. Kwak, S. Kwang, B. D. Lackey, K. H. Lai, T. L.\n Lam, M. Landry, B. B. Lane, R. N. Lang, J. Lange, B. Lantz, R. K. Lanza, A.\n Lartaux-Vollard, P. D. Lasky, M. Laxen, A. Lazzarini, C. Lazzaro, P. Leaci,\n S. Leavey, Y. K. Lecoeuche, C. H. Lee, H. K. Lee, H. M. Lee, H. W. Lee, J.\n Lee, K. Lee, R. K. Lee, J. Lehmann, A. Lenon, M. Leonardi, N. Leroy, N.\n Letendre, Y. Levin, J. Li, K. J. L. Li, T. G. F. Li, X. Li, C. Y. Lin, F.\n Lin, F. L. Lin, L. C. C. Lin, F. Linde, S. D. Linker, T. B. 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McWilliams, D. Meacher, G. D. Meadors,\n M. Mehmet, A. K. Mehta, J. Meidam, A. Melatos, G. Mendell, R. A. Mercer, L.\n Mereni, E. L. Merilh, M. Merzougui, S. Meshkov, C. Messenger, C. Messick, R.\n Metzdorff, P. M. Meyers, H. Miao, C. Michel, Y. Michimura, H. Middleton, E.\n E. Mikhailov, L. Milano, A. L. Miller, A. Miller, M. Millhouse, J. C. Mills,\n M. C. Milovich-Goff, O. Minazzoli, Y. Minenkov, N. Mio, A. Mishkin, C.\n Mishra, T. Mistry, S. Mitra, V. P. Mitrofanov, G. Mitselmakher, R. Mittleman,\n O. Miyakawa, A. Miyamoto, Y. Miyazaki, K. Miyo, S. Miyoki, G. Mo, D. Moffa,\n K. Mogushi, S. R. P. Mohapatra, M. Montani, C. J. Moore, D. Moraru, G.\n Moreno, S. Morisaki, Y. Moriwaki, B. Mours, C. M. Mow-Lowry, Arunava\n Mukherjee, D. Mukherjee, S. Mukherjee, N. Mukund, A. Mullavey, J. Munch, E.\n A. Mu\\~niz, M. Muratore, P. G. Murray, K. Nagano, S. Nagano, A. Nagar, K.\n Nakamura, H. Nakano, M. Nakano, R. Nakashima, I. Nardecchia, T. Narikawa, L.\n Naticchioni, R. K. Nayak, R. 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Tanaka, Kazuyuki Tanaka, Kenta Tanaka, Taiki Tanaka, Takahiro\n Tanaka, S. Tanioka, D. B. Tanner, M. T\\'apai, E. N. Tapia San Martin, A.\n Taracchini, J. D. Tasson, R. Taylor, S. Telada, F. Thies, M. Thomas, P.\n Thomas, S. R. Thondapu, K. A. Thorne, E. Thrane, Shubhanshu Tiwari, Srishti\n Tiwari, V. Tiwari, K. Toland, T. Tomaru, Y. Tomigami, T. Tomura, M. Tonelli,\n Z. Tornasi, A. Torres-Forn\\'e, C. I. Torrie, D. T\\\"oyr\\\"a, F. Travasso, G.\n Traylor, M. C. Tringali, A. Trovato, L. Trozzo, R. Trudeau, K. W. Tsang, T.\n T. L. Tsang, M. Tse, R. Tso, K. Tsubono, S. Tsuchida, L. Tsukada, D. Tsuna,\n T. Tsuzuki, D. Tuyenbayev, N. Uchikata, T. Uchiyama, A. Ueda, T. Uehara, K.\n Ueno, G. Ueshima, D. Ugolini, C. S. Unnikrishnan, F. Uraguchi, A. L. Urban,\n T. Ushiba, S. A. Usman, H. Vahlbruch, G. Vajente, G. Valdes, N. van Bakel, M.\n van Beuzekom, J. F. J. van den Brand, C. Van Den Broeck, D. C. Vander-Hyde,\n L. van der Schaaf, J. V. van Heijningen, M. H. P. M. van Putten, A. 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Yamamoto, Kazuhiro Yamamoto, Kohei Yamamoto,\n T. Yamamoto, C. C. Yancey, L. Yang, M. J. Yap, M. Yazback, D. W. Yeeles, K.\n Yokogawa, J. Yokoyama, T. Yokozawa, T. Yoshioka, Hang Yu, Haocun Yu, S. H. R.\n Yuen, H. Yuzurihara, M. Yvert, A. K. Zadro\\.zny, M. Zanolin, S. Zeidler, T.\n Zelenova, J.-P. Zendri, M. Zevin, J. Zhang, L. Zhang, T. Zhang, C. Zhao, Y.\n Zhao, M. Zhou, Z. Zhou, X. J. Zhu, Z. H. Zhu, A. B. Zimmerman, M. E. Zucker,\n J. Zweizig", "submitter": "LVK Publication", "url": "https://arxiv.org/abs/1304.0670" }
1304.0716
11institutetext: University of Bucharest 11email: [email protected] # Fixed point theorems for nonconvex valued correspondences and applications in game theory Monica Patriche University of Bucharest, Faculty of Mathematics and Computer Science, 14 Academiei Street, 010014 Bucharest, Romania ###### Abstract In this paper, we introduce several types of correspondences: weakly naturally quasiconvex, *-weakly naturally quasiconvex, weakly biconvex and correspondences with *–weakly convex graph and we prove some fixed point theorems for these kinds of correspondences. As a consequence, using a version of W. K. Kim’s quasi-point theorem, we obtain the existence of equilibria for a quasi-game. ###### Keywords: Fixed point theorem, correspondences with *–weakly convex graph, weakly naturally quasiconvex correspondences, quasi game, quasi-quilibrium. 2010 Mathematics Subject Classification: 47H10, 91A47, 91A80. ## 1 Introduction The aim of this paper is to prove some fixed points theorems for correspondences which are not continuous or convex valued and to give applications in game theory. The significance of equilibrium theory stems from the fact that it develops important tools (as fixed point and selection theorems) to prove the existence of equilibrium for different types of games. In 1950, J. F. Nash [15] first proved a theorem of equilibrium existence for games where the player’s preferences were representable by continuous quasi-concave utilities. G. Debreu’s works on the existence of equilibrium in a generalized N-person game or on an abstract economy [6] were extended by several authors. In [16] W. Shafer and H. Sonnenschein proved the existence of equilibrium of an economy with finite dimensional commodity space and irreflexive preferences represented as correspondences with open graph. N. C. Yannelis and N. D. Prahbakar [19] developed new techniques based on selection theorems and fixed- point theorems. Their main result concerns the existence of equilibrium when the constraint and preference correspondences have open lower sections. They worked within different frameworks (countable infinite number of agents, infinite dimensional strategy spaces). K. J. Arrow and G. Debreu proved the existence of Walrasian equilibrium in [3]. In [20], X. Z. Yuan proposed a model of abstract economy more general than that introduced by Borglin and Keing in [4]. Within the last years, a lot of authors generalized the classical model of abstract economy. For example, K. Vind [18] defined the social system with coordination, X. Z. Yuan [20] proposed the model of the general abstract economy. Motivated by the fact that any preference of a real agent could be unstable by the fuzziness of consumers’ behaviour or market situation, W. K. Kim and K. K. Tan [12] defined the generalized abstract economies. Also W. K. Kim [13] obtained a generalization of the quasi fixed-point theorem due to I. Lefebvre [14], and as an application, he proved an existence theorem of equilibrium for a generalized quasi-game with infinite number of agents. W. K. Kim’s result concerns generalized quasi-games where the strategy sets are metrizable subsets in locally convex linear topological spaces. Biconvexity was studied by R. Aumann, S. Hart in [2] and J. Gorski, F. Pfeuffer and K. Klamroth in [10]. An open problem of the fixed point theory is to prove the existence of fixed points for correspondences without continuity or convex values. X. Ding and He Yiran introduced in [7] the correspondences with weakly convex graph to prove a fixed point theorem. The result concerning the existence of the affine selection on a special type of sets (simplex) proves to be redundant, since a correspondence $T:X\rightarrow 2^{Y}$ has an affine selection if and only if it has a weakly convex graph. This result is stronger than it needs in order to obtain a fixed point theorem. We try to weaken these conditions by defining several types of correspondences which are not continuous or convex valued: weakly naturally quasiconvex, *-weakly naturally quasiconvex, correspondences with *–weakly convex graph and weakly biconvex correspondences. We prove fixed point theorems for these kinds of correspondences and using a version of W. K. Kim’s quasi-point theorem, we prove the existence of equilibria for a quasi- game. We use the continuous selection technique introduced by N. C. Yannelis and N. D. Prahbakar in [19]. The paper is organized in the following way: Section 2 contains preliminaries and notation. The fixed point theorems are given in Section 3 and the equilibrium theorems are stated in Section 4. ## 2 Preliminaries and notation Throughout this paper, we shall use the following notations and definitions: Let $A$ be a subset of a topological space $X$. 1\. 2A denotes the family of all subsets of $A$. 2\. cl $A$ denotes the closure of $A$ in $X$. 3\. If $A$ is a subset of a vector space, co$A$ denotes the convex hull of $A$. 4\. If $F$, $T:$ $A\rightarrow 2^{X}$ are correspondences, then co$T$, cl $T$, $T\cap F$ $:$ $A\rightarrow 2^{X}$ are correspondences defined by $($co$T)(x)=$co$T(x)$, $($cl$T)(x)=$cl$T(x)$ and $(T\cap F)(x)=T(x)\cap F(x)$ for each $x\in A$, respectively. 5\. The graph of $T:X\rightarrow 2^{Y}$ is the set Gr$(T)=\\{(x,y)\in X\times Y\mid y\in T(x)\\}$ 6\. The correspondence $\overline{T}$ is defined by $\overline{T}(x)=\\{y\in Y:(x,y)\in$clX×YGr$T\\}$ (the set clX×YGr$(T)$ is called the adherence of the graph of T). It is easy to see that cl$T(x)\subset\overline{T}(x)$ for each $x\in X.\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Definition 1 Let $X$, $Y$ be topological spaces and $T:X\rightarrow 2^{Y}$ be a correspondence. $T$ is said to be upper semicontinuous if for each $x\in X$ and each open set $V$ in $Y$ with $T(x)\subset V$, there exists an open neighborhood $U$ of $x$ in $X$ such that $T(x)\subset V$ for each $y\in U$. Let $X\subset E_{1}$ and $Y\subset E_{2}$ be two nonempty convex sets, $E_{1},E_{2}$ be topological vector spaces and let $B\subset X\times Y.$ ###### Definition 2 (2) The set $B\subset X\times Y$ is called a biconvex set on $X\times Y$ if the section $B_{x}=\left\\{y\in Y:(x,y)\in B\right\\}$ is convex for every $x\in X$ and the section $B_{y}=\left\\{x\in X:(x,y)\in B\right\\}$ is convex for every $y\in Y.\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Definition 3 (2) Let $(x_{i},y_{i})\in X\times Y$ for $i=1,2,...n.$ A convex combination $(x,y)=\mathop{\textstyle\sum}\limits_{i=1}^{n}\lambda_{i}(x_{i},y_{i})$, (with $\mathop{\textstyle\sum}\limits_{i=1}^{n}\lambda_{i}=1,$ $\lambda_{i}\geq 0$ $i=1,2,...,n$) is called biconvex combination if $x_{1}=x_{2}=...=x_{n}=x$ or $y_{1}=y_{2}=...=y_{n}=y.\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Theorem 2.1 (Aumann and Hart [2]). A set $B\subseteq X\times Y$ is biconvex if and only if $B$ contains all biconvex combinations of its elements. ###### Definition 4 (2) Let $A\subseteq X\times Y$ be a given set. The set $H:=\mathop{\textstyle\bigcap}\\{A_{I}:A\subseteq A_{I},$ $A_{I}$ is biconvex} is called biconvex hull of $A$ and is denoted biconv$(A).\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Theorem 2.2 (Aumann and Hart [2]). The biconvex hull of a set $A$ is biconvex. Furthermore, it is the smallest biconvex set (in the sens of set inclusion), which contains $A.\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Lemma 1 (Gorski, Pfeuffer and Klamroth [10]). Let $A\subseteq X\times Y$ be a given set. Then biconv$(A)\subseteq$conv$(A).\vskip 6.0pt plus 2.0pt minus 2.0pt$ NOTATION. We denote the standard $(n-1)$\- dimensional simplex by $\Delta_{n-1}=\\{(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\mathbb{R}^{n}:\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}=1,\lambda_{i}\geqslant 0,i=1,2,...,n\\}$. ## 3 Selection theorems and fixed point theorems An open problem of the fixed point theory is to prove the existence of fixed points for correspondences without continuity or convex values. In this section we introduce some types of correspondences which are not continuous or convex valued and prove selection theorems and fixed point theorems. First, we introduce the concept of weakly naturally quasiconvex correspondence. ###### Definition 5 Let $X,Y$ be nonempty convex subsets of topological vector spaces $E,$ respectively $F$. The correspondence $T:X\longrightarrow 2^{Y}$ is said to be _weakly naturally quasiconvex (WNQ)_ if for each $n\in\mathbb{N}$ and for each finite set $\\{x_{1},x_{2},...,x_{n}\\}\subset X$, there exists $y_{i}\in T(x_{i})$ , $(i=1,2,...,n)$ and $g=(g_{1},g_{2},...,g_{n}):\Delta_{n-1}\rightarrow\Delta_{n-1}$ a bijective function depending on $x_{1},x_{2},...,x_{n}$ with $g_{i}$ continuous, $g_{i}(1)=1,$ $g_{i}(0)=0$ for each $i=1,2,...n$, such that for every $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$, there exists $y\in T(\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}x_{i})$ and $y=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}g_{i}(\lambda_{i})y_{i}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ ###### Remark 1 A weakly naturally quasiconvex correspondence may not be continuous or convex valued. We give an economic interpretation of the weakly naturally quasiconvex correspondences. We consider an abstract economy $\Gamma=(X_{i},A_{i},P_{i})_{i\in I}$ with $I$ \- the set of agents. Each agent can choose a strategy from the set $X_{i}$ and has a preferrence correspondence $P_{i}:X=\mathop{\textstyle\prod}\limits_{i\in I}X_{i}\rightarrow 2^{X_{i}}$ and a constraint correspondence $A_{i}:X=\mathop{\textstyle\prod}\limits_{i\in I}X_{i}\rightarrow 2^{X_{i}}.$ The traditional approach considers that the preferrence of agent $i$ is characterized by a binary relation $\succeq_{i}$ on the set $X_{i}.$ A real valued function $u_{i}:X\rightarrow\mathbb{R}$ that satisfies $x\succeq_{i}y$ $\Leftrightarrow$ $u_{i}(x)\geq u_{i}(y)$ is called an utility function of the preferrence $\succeq_{i}.$ The relation between the utility function $u_{i}$ and the preferrence correspondence $P_{i}$, for each agent $i$ is: $P_{i}(x)=\left\\{y_{i}\in X_{i}:u_{i}(x,y_{i})>u_{i}(x,x_{i})\right\\},$ where, in this case, $u_{i}:X\times X_{i}\rightarrow\mathbb{R}.$ The aim of the equilibrium theory is to maximize each agent’s utility on a strategy set. For the case that, for each index $i$, $P_{i}$ is a weakly naturally quasiconvex correspondence, the interpretation is the following: for all certain amounts $x^{1},x^{2},...x^{n}\in X,$ the agent $i$ with the correspondence $P_{i}$ will always prefer $y_{i},$ the weighted average of some quantities $y_{i}^{k}\in P_{i}(x^{k}),$ $k=1,n.$ This implies that there exist $y_{i}^{1}\in P_{i}(x^{1}),y_{i}^{2}\in P_{i}(x^{2}),...,y_{i}^{n}\in P_{i}(x^{n})$ and $g=(g_{1},g_{2},...,g_{n}):\Delta_{n-1}\rightarrow\Delta_{n-1}$ a bijective function depending on $x^{1},x^{2},...,x^{n}$ with $g_{i}$ continuous for each $i=1,2,...,n,$ such that, for each $\lambda\in\Delta_{n-1},$ there exists $y_{i}=\overset{n}{\underset{k=1}{\mathop{\textstyle\sum}}}g_{i}(\lambda_{k})y_{i}^{k}$ and $y_{i}\in P_{i}(\overset{n}{\underset{k=1}{\mathop{\textstyle\sum}}}\lambda_{k}x^{k})$ (i.e., if there exist utility functions $u_{i}:X\times X_{i}\rightarrow\mathbb{R}$ such that, if $u_{i}(x^{k},y_{i}^{k})>u_{i}(x^{k},x_{i}^{k})$ for every $k\in\\{1,2,...n\\},$ we have that $y_{i}\in A_{i}(\overset{n}{\underset{k=1}{\mathop{\textstyle\sum}}}\lambda_{k}x^{k})$ and $u_{i}(\overset{n}{\underset{k=1}{\mathop{\textstyle\sum}}}\lambda_{k}x^{k},y_{i})>u_{i}(\overset{n}{\underset{k=1}{\mathop{\textstyle\sum}}}\lambda_{k}x^{k},(\overset{n}{\underset{k=1}{\mathop{\textstyle\sum}}}\lambda_{k}x^{k})_{i}).$ ###### Theorem 3.1 (selection theorem). Let $K$ be a simplex in a topological vector space $F$ and $Y$ be a non-empty convex subset of a topological vector space $E.$ Let $T:K\rightarrow 2^{Y}$ be a weakly naturally quasiconvex correspondence. Then, $T$ has a continuous selection on $K$. Proof. Assume that $K$ is a simplex, i.e., the convex hull of an affinely independent set $\\{a_{1},a_{2},...,a_{n}\\}.$ Since $T$ is weakly naturally quasiconvex, there exist $b_{i}\in T(a_{i})$, $(i=1,2,...,n)$ and $g=(g_{1},g_{2},...,g_{n}):\Delta_{n-1}\rightarrow\Delta_{n-1}$ a bijective function with $g_{i}$ continuous for each $i=1,2,...,n$, such that for every $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$, there exists $y\in T(\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}a_{i})$ with $y=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}g_{i}(\lambda_{i})y_{i}.$ Since $K$ is a $(n-1)$-dimensional simplex with the vertices $a_{1},...,a_{n},$ there exists unique continuous functions $\lambda_{i}:K\rightarrow\mathbb{R},$ $i=1,2,...,n$ such that for each $x\in K,$ we have $(\lambda_{1}(x),\lambda_{2}(x),...,\lambda_{n}(x))\in\Delta_{n-1}$ and $x=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}(x)a_{i}.$ Let’s define $f:K\rightarrow Y$ by $f(a_{i})=b_{i}$ $(i=1,...,n)$ and $f(\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}a_{i})=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}g_{i}(\lambda_{i})b_{i}\in T(x).$ We show that $f$ is continuous. Let $(x_{m})_{m\in N}$ be a sequence which converges to $x_{0}\in K,$ where $x_{m}=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}(x_{m})a_{i}$ and $x_{0}=$ $\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}(x_{0})a_{i}.$ By the continuity of $\lambda_{i},$ it follows that for each $i=1,2,...,n$, $\lambda_{i}(x_{m})\rightarrow\lambda_{i}(x_{0})$ as $m\rightarrow\infty.$ Since $\ g_{1},g_{2},...,g_{n}$ are continuous, we have $g_{i}(\lambda_{i}(x_{m}))\rightarrow g_{i}(\lambda_{i}(x_{0}))$ as $m\rightarrow\infty.$ Hence, $f(x_{m})\rightarrow f(x_{0})$ as $m\rightarrow\infty,$ i.e. $f$ is continuous. We proved that $T$ has a continuous selection on $K.\vskip 6.0pt plus 2.0pt minus 2.0pt$ By Brouwer’s fixed point theorem, we obtain the following fixed point theorem for weakly naturally quasiconvex correspondences. ###### Theorem 3.2 Let $K$ be a simplex in a topological vector space $F.$ Let $T:K\rightarrow 2^{K}$ be a weakly naturally quasiconvex correspondence. Then, $T$ has a fixed point in $K$. Proof. By Theorem 3, $T$ has a continuous selection on $K,$ $f:K\rightarrow K.$ Since $f$ has a fixed point $x^{\ast}\in K,$ we have that $x^{\ast}=f(x^{\ast})\in T(x^{\ast}).$ NOTATION. For the correspondence $T:X\rightarrow 2^{Y}$ and for the set $V\in Y,$ we denote $T_{V}$ the correspondence $T_{V}:X\rightarrow 2^{Y}$, defined by $T_{V}(x)=(T(x)+V)\cap Y$ for each $x\in X.$ If $Y=K,$ we obtain the following fixed point theorem: ###### Theorem 3.3 Let $K$ be a simplex in a topological vector space $F$ and let $T:K\rightarrow 2^{K}$ be a correspondence. Assume that for each neighborhood $V$ of the origin in $F$, there is $T^{V}:K\rightarrow 2^{K}$ a weakly naturally quasiconvex correspondence such that Gr$T^{V}\subset$clGr$T_{V}$. Then there exists a point $x^{\ast}\in K$ such that $x^{\ast}\in\overline{T}(x^{\ast}).$ To prove Theorem 5, we need the following lemma from [20]. ###### Lemma 2 (20) Let $X$ be a topological space, $Y$ be a non-empty subset of a topological vector space E, ß be a base of the neighborhoods of $0$ in $E$ and $T:X\rightarrow 2^{Y}.$ If $x^{\ast}\in X$ and $\widehat{y}\in Y$ are such that $\widehat{y}\in\cap_{V\in\text{\ss}}\overline{T_{V}}(x^{\ast}),$ then $\widehat{y}\in\overline{T}(x^{\ast}),$ where $\overline{T}$ $:X\rightarrow 2^{Y}$ is defined by $\overline{T}(x)=\\{y\in Y:(x,y)\in$clX×YGr$T\\}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Proof of Theorem 5. Let ß denote the family of all neighborhoods of zero in $F.$ Let $V\in$ß. By the fixed point theorem 4, it follows that for each neighborhood $V$ of the origin in $Y,$ there exists $x_{V}^{\ast}\in T^{V}(x_{V}^{\ast})\subset(T(x_{V}^{\ast})+V)\cap K.$ For each $V\in\text{\ss,\ we \ define }Q_{V}=\\{x\in K:$ $x\in(T(x)+V)\cap K\\}.$ $Q_{V}$ is nonempty since $x_{V}^{\ast}\in Q_{V},$ then cl$Q_{V}$ is nonempty. We prove that the family $\\{$cl$Q_{V}:V\in\text{\ss}\\}$ has the finite intersection property. Let $\\{V^{(1)},V^{(2)},...V^{(n)}\\}$ be any finite set of $\text{\ss}.$ Let $V=\underset{k=1}{\overset{n}{\cap}}V^{(k)}$, then $V\in\text{\ss}$. Clearly $Q_{V}\subset\underset{k=1}{\overset{n}{\cap}}Q_{V^{(k)}}$ so that $\underset{k=1}{\overset{n}{\cap}}Q_{V^{(k)}}\neq\emptyset.$ Then $\underset{k=1}{\overset{n}{\cap}}$cl$Q_{V^{(k)}}\neq\emptyset.$ Since $K$ is compact and the family $\\{$cl$Q_{V}:V\in\text{\ss}\\}$ has the finite intersection property, we have that $\cap\\{$cl$Q_{V}:V\in\text{\ss}\\}\neq\emptyset.$ Take any $x^{\ast}\in\cap\\{$cl$Q_{V}:V\in$ß$\\},$ then for each $V\in\text{\ss},$ $x^{\ast}\in$cl$\left\\{x^{\ast}\in K:x^{\ast}\in(T(x^{\ast})+V)\cap K\right\\}$. Hence $(x^{\ast},x^{\ast})\in$clGr($(T(x)+V)\cap K)$ for each $V\in$ß. By Lemma 2 __ we have that __ $x^{\ast}\in\overline{T}(x^{\ast}),$ i.e. $x^{\ast}$ is a fixed point for $\overline{T}$ $\Box$ The weakly convex correspondences are defined in [7]. ###### Definition 6 [7]. Let $X$ and $Y$ be nonempty convex subsets of a topological vector space $E.$ The correspondence $T:X\longrightarrow 2^{Y}$ is said to have _weakly convex graph_ (in short it is a WCG correspondence), if for each finite set $\\{x_{1},x_{2},...,x_{n}\\}\subset X$, there exists $y_{i}\in T(x_{i})$, $(i=1,2,...,n)$, such that (1) co$(\\{(x_{1},y_{1}),(x_{2},y_{2}),...,(x_{n},y_{n})\\})\subset$Gr$(T)$ The relation (1) is equivalent to (2) $\ \ \ \ \overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}y_{i}\in T(\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}x_{i})$ $(\forall(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}).$ It is clear that if either Gr$(T)$ is convex, or $\ \mathop{\textstyle\bigcap}\\{T(x):x\in X\\}\neq\emptyset$, then $T$ has a weakly convex graph. Remark 4\. Let $T:X\rightarrow 2^{Y}$ be a WCG correspondence and $X_{0}$ be a non-empty convex subset of $X$. Then, the restriction of $T$ on $X_{0}$, $T_{\mid X_{0}}:X_{0}\rightarrow 2^{Y}$ is a WCG correspondence, too. Now we introduce the following definition. ###### Definition 7 Let $E$, $F$ be topological vector spaces, $X$ and $Y$ be nonempty convex subsets of $E,$ respectively $F$ and $T:X\rightarrow 2^{Y}$ be a correspondence. $T$ is said to have a *-weakly convex graph if for each neighborhood $V$ of the origin in $F,$ the correspondence $T_{V}:X\rightarrow 2^{Y},$ defined by $T_{V}(x)=(T(x)+V)\cap Y$ for each $x\in X$ has an weakly convex graph. The next theorem (its proof follows the same lines as that of Theorem 5) is a fixed point result for a correspondence with *-weakly convex graph. ###### Theorem 3.4 Let $K$ be a simplex in a topological vector space $F.$ Let $T:K\rightarrow 2^{K}$ be a correspondence with *-weakly convex graph. Then, there exists a point $x^{\ast}\in K$ such that $x^{\ast}\in\overline{T}(x^{\ast}).$ We get the following corollary. ###### Corollary 1 Let $K$ be a simplex in a topological vector space $F.$ Let $S,T:K\rightarrow 2^{K}$ be two correspondences with the following conditions: (i) for each $x\in K,$ $\overline{S}(x)\subset T(x)$ and $S(x)\neq\emptyset,$ (ii) $S$ has *-weakly convex graph. Then, there exists a point $x^{\ast}\in K$ such that $x^{\ast}\in T(x^{\ast}).\vskip 6.0pt plus 2.0pt minus 2.0pt$ Now, we introduce the concept of *-weakly naturally quasiconvex correspondence. ###### Definition 8 Let $E$, $F$ be topological vector spaces, $X$ and $Y$ be nonempty convex subsets of $E,$ respectively $F$ and $T:X\rightarrow 2^{Y}$ be a correspondence. $T$ is said to be *-weakly naturally quasiconvex if for each neighborhood $V$ of the origin in $F,$ the corespondence $T_{V}:X\rightarrow 2^{Y},$ defined by $T_{V}(x)=(T(x)+V)\cap Y$ for each $x\in X$ is weakly naturally quasiconvex. Theorem 7 is a fixed point theorem for *-weakly naturally quasiconvex correspondences. ###### Theorem 3.5 Let $K$ be a non-empty simplex in a topological vector space $F.$ Let $T:K\rightarrow 2^{K}$ be a *-weakly naturally quasiconvex correspondence. Then there exists a point $x^{\ast}\in K$ such that $x^{\ast}\in\overline{T}(x^{\ast}).$ Proof. Let ß denote the family of all neighborhoods of zero in $F$ and let $V\in$ß. The corespondence $T_{V}:K\rightarrow 2^{K},$ defined by $T_{V}(x)=(T(x)+V)\cap K$ for each $x\in K$ is *-weakly naturally quasiconvex. Then there exists a continuous selection $f_{V}:K\rightarrow K$ such that $f_{V}(x)\in T_{V}(x).$ The proof follows the same line as in Theorem 5.$\Box$ Now we introduce the following definition. ###### Definition 9 Let $B\subset X\times Y$ be a biconvex set, $Z$ a nonempty convex subset of a topological vector space $F$ and $T:B\rightarrow 2^{Z}$ a correspondence. $T$ is called weakly biconvex if for each finite set $\\{(x_{1},y_{1}),(x_{2},y_{2}),...,(x_{n},y_{n})\\}\subset B$, there exists $z_{i}\in T(x_{i},y_{i})$, $(i=1,2,...,n)$ such that for every biconvex combination $(x,y)=\mathop{\textstyle\sum}\limits_{i=1}^{n}\lambda_{i}(x_{i},y_{i})\in B$ (with $\mathop{\textstyle\sum}\limits_{i=1}^{n}\lambda_{i}=1,$ $\lambda_{i}\geq 0$ $i=1,2,...,n$), there exists $y^{\prime}\in T(\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}(x_{i},y_{i}))$ and $y^{\prime}=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}z_{i}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ We state the following selection theorem for weakly biconvex correspondences. ###### Theorem 3.6 (selection theorem). Let $Y$ be a non-empty convex subset of a topological vector space $F$ and $K\subset E_{1}\times E_{2},$ where $E_{1},E_{2}$ are topological vector spaces. Suppose that $K$ is the biconvex hull of $\\{(a_{1},b_{1}),(a_{2},b_{2}),...,(a_{n},b_{n})\\}\subset E_{1}\times E_{2}$. Let $T:K\rightarrow 2^{Y}$ be a weakly biconvex correspondence. Then, $T$ has a continuous selection on $K$. Proof. Since $T$ is weakly biconvex, there exists $c_{i}\in T(a_{i},b_{i})$, $(i=1,2,...,n),$ such that for every $(\lambda_{1},\lambda_{2},...,\lambda_{n})\in\Delta_{n-1}$, there exists $z\in T(\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}(a_{i},b_{i}))$ with $z=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}z_{i}.$ Since $K$ is biconvex hull of $(a_{1},b_{1}),...,(a_{n},b_{n}),$ there exist unique continuous functions $\lambda_{i}:K\rightarrow\mathbb{R},$ $i=1,2,...,n$ such that for each $(x,y)\in K,$ we have $(\lambda_{1}(x,y),\lambda_{2}(x,y),...,\lambda_{n}(x,y))\in\Delta_{n-1}$ and $(x,y)=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}(x,y)(a_{i},b_{i}).$ Define $f:K\rightarrow 2^{Y}$ by $f(a_{i},b_{i})=c_{i}$ $(i=1,...,n)$ and $f(\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}(a_{i},b_{i}))=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}c_{i}\in T(x,y).$ We show that $f$ is continuous. Let $(x_{m},y_{m})_{m\in N}$ be a sequence which converges to $x_{0}\in K,$ where $(x_{m},y_{m})=\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}(x_{m},y_{m})(a_{i},b_{i})$ implies $a_{1}=a_{2}=...=a_{n}=a$ or $b_{1}=b_{2}=...=b_{n}=b$ and $(x_{0},y_{0})=$ $\overset{n}{\underset{i=1}{\mathop{\textstyle\sum}}}\lambda_{i}(x_{0})(a_{i},b_{i})$ with $a_{1}=a_{2}=...=a_{n}=a$ or $b_{1}=b_{2}=...=b_{n}=b.$ By the continuity of $\lambda_{i},$ it follows that for each $i=1,2,...,n$, $\lambda_{i}(x_{m},y_{m})\rightarrow\lambda_{i}(x_{0},y_{0})$ as $m\rightarrow\infty.$ Hence $f(x_{m},y_{m})\rightarrow f(x_{0},y_{0})$ as $m\rightarrow\infty,$ i.e. $f$ is continuous. We proved that $T$ has a continuous selection on $K.$ In order to prove the existence theorems of equilibria for a generalized quasi-game, we need the following version of Kim’s quasi fixed-point theorem: ###### Theorem 3.7 Let $I$ and $J$ be any (possible uncountable) index sets. For each $i\in I$ and $j\in J$, let $X_{i}$ and $Y_{j}$ be non-empty compact convex subsets of Hausdorff locally convex spaces $E_{i}$ and respectively $F_{j}$. Let $X:=\prod X_{i}$, $Y:=\underset{i\in I}{\prod}Y_{j}$ and $Z:=X\times Y$. For each $i\in I$ let $\Phi_{i}:Z\rightarrow 2^{X_{i}}$ be a correspondence such that the set $W_{i}=\left\\{(x,y)\in Z\text{ }\mid\Phi_{i}(x,y)\neq\emptyset\right\\}$ is open and $\Phi_{i}$ has a continuous selection fi on $W_{i}$. For each j$\in J$ let $\Psi_{j}:Z\rightarrow 2^{Y_{j}}$ be an upper semicontinuous correspondence with non-empty closed convex values. Then there exists a point $(x^{\ast},y^{\ast})\in Z$ such that for each $i\in I$, either $\Phi_{i}(x^{\ast},y^{\ast})=\emptyset$ or $\overset{\\_}{x}_{i}\in\Phi_{i}(x^{\ast},y^{\ast})$, and for each $j\in J$, $y_{j}^{\ast}\in\Psi_{j}(x^{\ast},y^{\ast})$. Proof. We first endow $\underset{i\in I}{\prod}E_{i}$ and $\underset{j\in J}{\prod}F_{j}$ with the product topologies; and then $\underset{i\in I}{\prod}E_{i}\times$ $\underset{j\in J}{\prod}F_{j}$ is also a locally convex Hausdorff topological vector space. For each $i\in I$, we define a correspondence $\Phi_{i}^{{}^{\prime}}:Z\rightarrow 2^{X_{i}}$ by $\Phi_{i}^{{}^{\prime}}(x,y):=\left\\{\begin{array}[]{c}\\{f_{i}(x,y)\\}\text{, if }(x,y)\in W_{i}\text{, }\\\ X_{i}\text{, \qquad if }(x,y)\notin W_{i}\text{;}\end{array}\right.$ Then for each $(x,y)\in Z$, $\Phi_{i}^{{}^{\prime}}(x,y)$ is a non-empty closed convex subset of $X_{i}$. Also, $\Phi_{i}^{{}^{\prime}}$ is an upper semicontinuous correspondence on $Z$. In fact, for each proper open subset $V$ of $X_{i}$, we have $U:=\\{(x,y)\in Z$ $\mid$ $\Phi_{i}^{{}^{\prime}}(x,y)\subset V\\}$ =$\\{(x,y)\in W_{i}$ $\mid$ $\Phi_{i}^{{}^{\prime}}(x,y)\subset V\cup(x,y)\in Z\setminus W_{i}$ $\mid$ $\Phi_{i}^{{}^{\prime}}(x,y)\subset V\\}$ …=$\left\\{(x,y)\in W_{i}\text{ }\mid\text{ }f_{i}(x,y)\in V\right\\}\cup\left\\{(x,y)\in Z\setminus W_{i}\text{ }\mid\text{ }X_{i}\subset V\right\\}$ =$\left\\{(x,y)\in W_{i}\text{ }\mid\text{ }f_{i}(x,y)\in V\right\\}=f_{i}^{-1}(V)\cap W_{i}$. Since $W_{i}$ is open and $f_{i}$ is a continuous map on $W_{i},U$ is open, and hence $\Phi_{i}^{{}^{\prime}}$ is upper semicontinuous on $Z$. Finally, we define a correspondence $\Phi:Z\rightarrow 2^{Z}$ by $\Phi(x,y):=\underset{i\in I}{\prod}\Phi_{i}^{{}^{\prime}}(x,y)\times\underset{j\in J}{\prod}\Psi_{j}(x,y)$ for each $(x,y)\in Z$. Then, by Lemma 3 in [8], $\Phi$ is an upper semicontinuous correspondence such that each $\Phi(x,y)$ is non-empty closed convex. Therefore, by the Fan- Glicksebrg fixed point theorem [9] there exists a fixed point $(x^{\ast}$,$y^{\ast})\in Z$ such that $(x^{\ast},y^{\ast})$ $\in\Phi(x,y)$, i.e., for each $i\in I$, $x_{i}^{\ast}\in\Phi_{i}^{{}^{\prime}}(x,y)$, and for each $j\in J$, $y_{j}^{\ast}\in\Psi_{j}(x,y)$. If $(x^{\ast},y^{\ast})\in W_{i}$ for some $i\in I$, then $x_{i}^{\ast}=f_{i}(x^{\ast},y^{\ast})\in\Phi_{i}(x^{\ast},y^{\ast})$; and if $(x^{\ast},y^{\ast})\notin W_{i}$ for some $i\in I$, then $\Phi_{i}(x^{\ast},y^{\ast})=\emptyset$. Therefore, we have that for each $i\in I$, either $\Phi_{i}(x^{\ast},y^{\ast})=\emptyset$ or $x_{i}^{\ast}\in\Phi_{i}(x^{\ast},y^{\ast})$. Also, for each $j\in J$, we already have $y_{j}^{\ast}\in\Psi_{j}(x^{\ast},y^{\ast})$. This completes the proofs. $\Box\vskip 6.0pt plus 2.0pt minus 2.0pt$ We have the following corollary. ###### Corollary 2 Let $I$ and $J$ be any (possible uncountable) index sets. For each $i\in I$ and $j\in J$, let $X_{i}$ and $Y_{j}$ be non-empty compact convex subsets of Hausdorff locally convex spaces $E_{i}$ and respectivelly $F_{j}$. Let $X:=\prod X_{i}$, $Y:=\underset{i\in I}{\prod}Y_{j}$ and $Z:=X\times Y$. For each $i\in I$ let $S_{i}:Z\rightarrow 2^{X_{i}}$ be a correspondence such that the set $W_{i}=\left\\{(x,y)\in Z\text{ }\mid S_{i}(x,y)\neq\emptyset\right\\}$ is the interior of the biconvex hull of $\\{(a_{1},b_{1}),(a_{2},b_{2}),...,(a_{n},b_{n})\\}\subset Z$ and $S_{i}$ is weakly biconvex on $W_{i}$. For each $\mathit{j}\in J$ let $T_{j}:Z\rightarrow 2^{Y_{j}}$ be an upper semicontinuous correspondence with non-empty closed convex values. Then there exists a point $(x^{\ast},y^{\ast})\in Z$ such that for each $i\in I$, either $S_{i}(x^{\ast},y^{\ast})=\emptyset$ or $x_{i}^{\ast}\in S_{i}(x^{\ast},y^{\ast})$, and for each $j\in J$, $y_{j}^{\ast}\in T_{j}(x^{\ast},y^{\ast})$. ## 4 Applications in the equilibrium theory In this paper, we study the following model of a generalized quasi-game. ###### Definition 10 Let $I$ be a nonempty set (the set of agents). For each $i\in I$, let $X_{i}$ be a non-empty topological vector space representing the set of actions and define $X:=\underset{i\in I}{\prod}X_{i}$; let $A_{i}$, $B_{i}:X\times X\rightarrow 2^{X_{i}}$ be the constraint correspondences and $P_{i}:X\times X\rightarrow 2^{X_{i}}$ the preference correspondence. A generalized quasi- game $\Gamma=(X_{i},A_{i},B_{i},P_{i})_{i\in I}$ is defined as a family of ordered quadruples $(X_{i},A_{i},B_{i},P_{i})$. In particular, when $I$=$\left\\{1\text{, }2\text{...}n\right\\}$, $\Gamma$ is called n-person quasi-game. ###### Definition 11 An equilibrium for $\Gamma$ is defined as a point $(x^{\ast},y^{\ast})\in X\times X$ such that for each $i\in I$, $y_{i}^{\ast}\in$cl$B_{i}(x^{\ast},y^{\ast})$ and $A_{i}(x^{\ast},y^{\ast})\cap P_{i}(x^{\ast},y^{\ast})=\emptyset$. If $A_{i}(x,y)=B_{i}(x,y)$ for each $(x,y)\in X\times X$ and $i\in I$, this model coincides with that one introduced by W. K. Kim [13]. If, in addition, for each $i\in I$, $\ A_{i},P_{i}$ are constant with respect to the first argument, this model coincides with the classical one of the abstract economy and the definition of equilibrium is that given in [4]. In this work, Kim established an existence result for a generalized quasi-game with a possibly uncountable set of agents, in a locally convex Hausdorff topological vector space. Here is his result: ###### Theorem 4.1 (11) Let $\Gamma=(X_{i},A_{i},B_{i},P_{i})_{i\in I}$ be a generalized quasi-game, where $I$ is a (possibly uncountable) set of agents such that for each $i\in I$ : (1) $X_{i}$ is a non-empty compact convex subset of a Hausdorff locally convex space $E_{i}$ and denote $X:=\underset{i\in I}{\prod}X_{i}$ and $Z:=X\times X$; (2) The correspondence $A_{i}:X\times X\rightarrow 2^{X_{i}}$ is upper semicontinuous such that $A_{i}(x,y)$ is a non-empty convex subset of $X_{i}$ for each $(x,y)\in Z$; (3) $A_{i}^{-1}\left(x_{i}\right)$ is (possibly empty) open for each $x_{i}\in X_{i}$; (4) the correspondence $P_{i}:Z\rightarrow 2^{X_{i}}$ is such that $(A_{i}\cap P_{i})^{-1}\left(x_{i}\right)$ is (possibly empty) open for each $x_{i}\in X_{i}$; (5) the set $W_{i}$ $:$ $=\left\\{(x,y)\in Z\text{ }\mid\text{ }\left(A_{i}\cap P_{i}\right)(x,y)\neq\emptyset\right\\}$ is perfectly normal; (6) for each $(x,y)\in W_{i}$, $x_{i}\notin coP_{i}(x,y)$. Then there exists an equilibrium point $(x^{\ast},y^{\ast})\in X\times X$ for $\Gamma$, $i.e$., for each $i\in I$, $y_{i}^{\ast}\in$cl$A_{i}(x^{\ast},y^{\ast})$ and $A_{i}(x^{\ast},y^{\ast})\cap P_{i}(x^{\ast},y^{\ast})=\emptyset$. As application of the selection theorems from section 3, we state a theorem on the existence of the equilibrium for a generalized quasi-game. ###### Theorem 4.2 Let $\Gamma=(X_{i},A_{i},B_{i},P_{i})_{i\in I}$ be a generalized quasi-game where $I$ is a (possibly uncountable) set of agents such that for each $i\in I:$ (1) $X_{i}$ is a non-empty compact convex set in a Hausdorff locally convex space $E_{i}$ and denote $X:=\underset{i\in I}{\prod}X_{i}$ and $Z:=X\times X$; (2) The correspondence $B_{i}:Z\rightarrow 2^{X_{i}}$ is non-empty, convex valued such that for each ($x,y)\in Z$, $A_{i}(x,y)\subset B_{i}(x,y)\ $and cl$B_{i}$ is upper semicontinuous; (3) the correspondence $A_{i}\cap P_{i}:W_{i}\rightarrow 2^{X_{i}}$ is weakly naturally quasiconvex; (4) the set $W_{i}:$ $=\left\\{(x,y)\in Z\text{ / }\left(A_{i}\cap P_{i}\right)(x,y)\neq\emptyset\right\\}$ is open and cl$W_{i}$ is a $(n-1)$ dimensional simplex in $Z$; (5) for each $(x,y)\in W_{i},$ $x_{i}\notin P_{i}(x,y)$. Then there exists an equilibrium point $(x^{\ast},y^{\ast})\in Z$ for $\Gamma$,$\ i.e.$, for each $i\in I$, $y_{i}^{\ast}\in$cl$B_{i}(x^{\ast},y^{\ast})$ and $A_{i}(x^{\ast},y^{\ast})\cap P_{i}(x^{\ast},y^{\ast})=\emptyset$. Proof. For each $i\in I$, we define $\Phi_{i}:Z\rightarrow 2^{X_{i}}$ by $\Phi_{i}(x,y)=\left\\{\begin{array}[]{c}(A_{i}\cap P_{i})(x,y)\text{, if }(x,y)\in W_{i}\text{, }\\\ \emptyset\text{, \qquad\qquad\qquad\ \ if }(x,y)\notin W_{i}\text{;}\end{array}\right.$ By applying Theorem 3 to the restrictions $A_{i}\cap P_{i}$ on $W_{i}$, we can obtain that there exists a continuous selection $f_{i}:W_{i}\rightarrow X_{i}$ such that $f_{i}(x,y)\in(A_{i}\cap P_{i})(x,y)$ for each $(x,y)\in W_{i}$. For each $j\in I$, we define $\Psi_{j}:Z\rightarrow 2^{X_{i}}$, by $\Psi_{j}(x,y)=$cl$B_{j}(x,y)$ for each $(x,y)\in Z$. Then $\Psi_{j}$ is an upper semicontinuous correspondence and $\Psi_{j}(x,y)$ is a non-empty, convex, closed subset of $X_{j}$ for each $(x,y)\in Z$. By Theorem 9, it follows that there exists $(x^{\ast},y^{\ast})\in Z$ such that for each $i\in I$, either $\Phi_{i}(x^{\ast},y^{\ast})=\emptyset$ or $x_{i}^{\ast}\in\Phi_{i}(x^{\ast},y^{\ast})$ and for each $j\in J$, $y_{j}^{\ast}\in\Psi_{j}(x^{\ast},y^{\ast})$. If $x_{i}^{\ast}\in\Phi_{i}(x^{\ast},y^{\ast})$ for some $i\in I$, then $x_{i}^{\ast}\in\Phi_{i}(x^{\ast},y^{\ast})=(A_{i}\cap P_{i})(x^{\ast},y^{\ast})\subset P_{i}(x^{\ast},y^{\ast})$ which contradicts the assumption (5). Therefore, for each $i\in I$, $\Phi_{i}(x,y)=\emptyset$ and then $(x^{\ast},y^{\ast})\notin W_{i}$. Hence, $(A_{i}\cap P_{i})(x^{\ast},y^{\ast})=\emptyset$ and for each $i\in I$, $y^{\ast}\in\Psi_{i}(x^{\ast},y^{\ast})=$cl$B_{i}(x^{\ast},y^{\ast})$. $\Box$ By using a similar type of proof and Theorem 8, we obtain Theorem 12. ###### Theorem 4.3 Let $\Gamma=(X_{i},A_{i},B_{i},P_{i})_{i\in I}$ be a generalized quasi-game where $I$ is a (possibly uncountable) set of agents such that for each $i\in I:$ (1) $X_{i}$ is a non-empty compact convex set in a Hausdorff locally convex space $E_{i}$ and denote $X:=\underset{i\in I}{\prod}X_{i}$ and $Z:=X\times X$; (2) The correspondence $B_{i}:Z\rightarrow 2^{X_{i}}$ is non-empty, convex valued such that for each ($x,y)\in Z$, $A_{i}(x,y)\subset B_{i}(x,y)\ $and cl$B_{i}$ is upper semicontinuous; (3) $A_{i}\cap P_{i}$ is a weakly biconvex correspondence on $W_{i}$; (4) the set $W_{i}:$ $=\left\\{(x,y)\in Z\text{ / }\left(A_{i}\cap P_{i}\right)(x,y)\neq\emptyset\right\\}$ is the interior of the biconvex hull of $\\{(a_{1},b_{1}),(a_{2},b_{2}),...,(a_{n},b_{n})\\}\subset Z$; (5) for each $(x,y)\in W_{i},$ $x_{i}\notin$co$P_{i}(x,y)$. Then there exists an equilibrium point $(x^{\ast},y^{\ast})\in Z$ for $\Gamma$,$\ i.e.$, for each $i\in I$, $y_{i}^{\ast}\in$cl$B_{i}(x^{\ast},y^{\ast})$ and $A_{i}(x^{\ast},y^{\ast})\cap P_{i}(x^{\ast},y^{\ast})=\emptyset$. ## References * (1) R. P. Agarwal, O’Regan, A Note on Equilibria for abstract economies, Mathematical and Computer Modelling 34 (2001), 331-343. * (2) R. Aumann, S. Hart, Bi-convexity and bi-martingales, Isr J Math 54, 2 (1986), 159-180. * (3) K. J. Arrow, G. Debreu, Existence of an Equilibrium for a Competitive Economy. Econometrica 22 (1954), 265-290. * (4) A. Borglin and H. Keiding, Existence of equilibrium action and of equilibrium:A note on the ”new” existence theorem. J. Math. Econom. 3 (1976), 313-316. * (5) F. E. Browder, A new generation of the Schauder fixed point theorems. Math. Ann. 174 (1967), 285-290. * (6) G. Debreu, A social equilibrium existence theorem. Proc. Nat. Acad. Sci. 38 (1952), 886-893. * (7) X. Ding, He Yiran, Best Approximation Theorem for Set-valued Mappings without Convex Values and Continuity. Appl Math. and Mech. English Edition, 19, 9 (1998), 831-836. * (8) K. Fan, Fixed-point and minimax theorems in locally convex topological linear spaces. Proc. Nat. Acad. Sci. U.S.A. 38 (1952), 121-126. * (9) K. Fan, A generalization of Tychonoff’s fixed point theorem, Math. Ann. 142 (1961), 305-310. * (10) J. Gorski, F. Pfeuffer, K. Klamroth, Biconvex sets and optimization with biconvex functions: a survey and extension, Math. Meth. Oper. Res. 66 (2007), 373-407. * (11) C.D. Horvath, Point fixes et coincidences pour les applications multivoques sans convexite, C. R. Acad. Sci. Paris 296 (1983), 403-406. * (12) W. K. Kim, K. K. Tan, New existence theorems of equilibria and applications. Nonlinear Anal. 47 (2001), 531-542. * (13) W. K. Kim, On a quasi fixed-point theorem. Bull. Korean Math. Soc. 40 (2003), 2, 301-307. * (14) I. Lefebvre, A quasi fixed-point theorem for a product of u.s.c. or l.s.c. correspondences with an economic application, Set-Valued Anal. 9 (2001), 273-288. * (15) J.F. Nash, Non-cooperative games. Ann. Math. 54 (1951), 286-295. * (16) W. Shafer, H. Sonnenschein, Equilibrium in abstract economies without ordered preferences. J. Math. Econom. 2 (1975), 345-348. * (17) G. Tian, Fixed points theorems for mappings with non-compact and non-convex domains, J. Math. An. and Appl. 158 (1991), 161-167. * (18) K. Vind, Equilibrium with coordination, J. Math. Econom. 12 (1983), 275-285. * (19) N. C. Yannelis and N. D. Prabhakar, Existence of maximal elements and equilibrium in linear topological spaces. J. Math. Econom. 12 (1983), 233-245. * (20) X. Z. Yuan, The Study of Minimax inequalities and Applications to Economies and Variational inequalities. Memoirs of the American Society 132, 625, (1988).
arxiv-papers
2013-04-02T18:05:12
2024-09-04T02:49:43.770061
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Monica Patriche", "submitter": "Monica Patriche", "url": "https://arxiv.org/abs/1304.0716" }
1304.0718
# A Peer-based Model of Fat-tailed Outcomes Ben Klemens US Census Bureau [email protected] paper originated as work done at Caltech, under the guidance of Matt Jackson, Kim Border, and Peter Bossaerts. The agent-based modeling work was done at the Brookings Institution’s Center for Social and Economic Dynamics, and the author thanks the CSED’s members for their support. Thanks also to Josh Tokle and Taniecea Arceneaux of the United States Census Bureau. ###### Abstract It is well known that the distribution of returns from various financial instruments are leptokurtic, meaning that the distributions have “fatter tails” than a Normal distribution, and have skew toward zero. This paper presents a graceful micro-level explanation for such fat-tailed outcomes, using agents whose private valuations have Normally-distributed errors, but whose utility function includes a term for the percentage of others who also buy. ## 1 Introduction Many researchers have pointed out that day-to-day returns on equities have “fat tails,” in the sense that extreme events happen much more frequently than would be predicted by a Normal distribution, and have skew toward zero, meaning that extreme negative returns are more likely than extreme positive returns. This has been re-verified by many of the sources listed below. The fat tails of actual equity return distributions is far from academic trivia: if extreme events are more likely than predicted by a Normal distribution, models based on Normally-distributed returns can systematically under-predict risk. Here, I present an explanation for the non-Normality of equity returns using a micro-level model where agents observe and emulate the behavior of others. There are several reasons for rational agents to take note of the actions of other rational agents; the model here is agnostic as to which best describes real-world agents, but given some motivation to emulate others, I show that the wider-than-Normal distribution of equity returns follows. From the tulip bubble of 1637 to the housing bubble of 2007, herding behavior has been used to explain extreme market movements (Mackay, 1841; Schiller, 2008). Most of the literature discussed below focuses on models where the herd almost always leads itself to an extreme outcome, where goods are blockbusters or flops. Typically, agents in these models have private information or preferences that are easily drowned out by observing the behavior of others (and in some cases they have no private information at all). Conversely, the model here shows that when agents have an evaluation strategy that is a mix of both private preferences and public actions or information, then outcome distributions look much like that of day-to-day equity returns: they may have kurtosis and skew that are arbitrarily large, but they remain unimodal. As the individual utility function is adjusted so that private information is of little value, the model outcomes replicate the blockbusters, flops, and market bifurcations in the literature. Section 2 will give a quick overview of the mostly empirical literature that has demonstrated that equity returns are fat-tailed, and that equity traders (and those who advise equity traders) demonstrate emulative behavior. Epstein and Axtell (1996, p 20, emphasis in original.) wrote “Perhaps one day people will interpret the question ‘Can you explain it?’ as asking ‘Can you grow it?”’ Section 3 will demonstrate that once we take emulative behavior as given, it is easy to grow fat-tailed outcomes. Section 4 concludes, pointing out that, because situations where outcomes are fat-tailed but not entirely off the charts are common, we may be able to use emulative preferences to explain more than they have been used for in the past. ## 2 Literature This section gives an overview of two threads of the economics literature that do not quite meet. The first is an overview of the existing literature on the distribution of equity returns; the second is a survey of the situations posited in the finance literature where individuals gain utility from emulating others. ### 2.1 Fitting non-Normal distributions The second central moment, also known as the variance, is defined as: $\mu_{2}=\sigma^{2}=\int_{-\infty}^{\infty}(x-\mu)^{2}f(x)dx,$ where $x\in{\mathbb{R}}$ is a random variable, $f(x)$ is the probability distribution function (PDF) on $x$, and $\mu$ is the mean of $x$ $\left(\int_{-\infty}^{\infty}xf(x)dx\right)$. One could similarly define the third and fourth central moments: $\displaystyle\mu_{3}$ $\displaystyle=$ $\displaystyle\int_{-\infty}^{\infty}(x-\mu)^{3}f(x)dx,\hbox{ and}$ $\displaystyle\mu_{4}$ $\displaystyle=$ $\displaystyle\int_{-\infty}^{\infty}(x-\mu)^{4}f(x)dx.$ Depending on the author, the skew is sometimes the third central moment, ${\cal{S}}\equiv\mu_{3}$, and sometimes ${\cal{S}}\equiv\mu_{3}/\sigma^{3}$. The kurtosis may be $\kappa\equiv\mu_{4}$, $\kappa\equiv\mu_{4}/\sigma^{4}$, or $\kappa\equiv\mu_{4}/\sigma^{4}-3$. In this paper, I will use $\displaystyle{\cal{S}}$ $\displaystyle\equiv$ $\displaystyle\mu_{3}\hbox{, and}$ $\displaystyle\kappa$ $\displaystyle\equiv$ $\displaystyle\mu_{4}/\sigma^{4}.$ I will refer to $\kappa$ as normalized kurtosis to remind the reader that it is divided by variance squared. The more elaborate normalizations make it easy to compare these moments to a Normal distribution, because for a Normal distribution with mean $\mu$ and standard deviation $\sigma$, $\mu_{4}/\sigma^{4}=3$. A Normal distribution is symmetric and therefore has zero skew (whether normalized or not). One can use these facts to check empirical distributions for deviations from the Normal. Fama (1965) ran such a test on equity returns, and found that they were leptokurtic, meaning that $\mu_{4}\gg 3\sigma^{4}$, and were skewed. However, he is not the first to notice these features—Mandelbrot (1963, footnote 3) traces awareness of the non-Normality of return distributions as far back as 1915. Many of the papers cited in the following few paragraphs reproduce the results using their own data sets. Bakshi et al. (2003) gathered data on several index and equity returns, and (with few exceptions) found a skew toward zero (i.e., negative skew, meaning that extreme downward events are more likely than extreme upward events). Most of the explanations for the deviation from the Normal have focused on finding a closed-form PDF that better fits the data. Mandelbrot (1963) showed that a stable Paretian (aka symmetric-stable) distribution fit better than the Normal. Blattberg and Gonedes (1974) showed that a renormalized Student’s $t$ distribution fit better than a symmetric-stable distribution. Kon (1984) found that a mixture of Normal distributions fit better than a Student’s $t$. The mixture model produces an output distribution by summing a first Normal distribution, ${\cal N}(\mu_{1}$, $\sigma_{1})$, with an independent second Normal distribution, ${\cal N}(\mu_{2}$, $\sigma_{2})$. Depending on the values of the five input parameters (two means, two standard deviations, and a mixing parameter), the distribution produced by summing the two can take on a wide range of mean, standard deviation, skew, and kurtosis. The mixture model raises a few critiques. Kon found that the sum of two distributions satisfactorily matches only about half of the equity return distributions he tests. Others require as many as four input distributions—and thus eleven input parameters—to explain the four moments of the distribution to be matched. Barbieria et al. (2010, pp 1095–96) tested a set of four broad equity indices (MSCI’s USA, Europe, UK, and Japan indices) against a comparable model claiming Normality with variances changing over time, and rejected the model for all four indices. As with all of the distribution models, the use of a sum of several distributions raises the question of how the given distributions go beyond being a good fit to being a valid explanation of market behavior. After all, one could fit a Fourier sequence to a data series to arbitrary precision, but it is not necessarily an explanation of market behavior. This brings us to the second thread of the literature, covering the micro-level behavior of market actors. ### 2.2 Emulation The literature provides many rational motivations for emulating others, variously termed herding, information cascades, network effects, peer effects, spillovers—not to mention simple questions of fashion. This section provides a sample of some of the theoretical results for such models, and a discussion of herding in the finance context. None of these models were written with the stated intention of describing an observed leptokurtic distribution, but this section will calculate the kurtosis of the output distributions implied by some of these models to see how they fare. #### The restaurant problem Among the most common of the models where agents emulate others are the herding or information cascade models, e.g. Banerjee (1992) or Bikhchandani et al. (1992). In these models, agents use the prior choices of other agents as information when making decisions. A sequence of agents chooses to eat at restaurant $A$ or $B$. The first will use its private information to choose. The second will use its private information, plus the information revealed by the observable choice made by the first agent. The third agent will add to its private information the information provided by observing where the first two entrants are eating. Thus, if the first two agents are eating at restaurant $A$, the third may ignore a preference for restaurant $B$ and eat at $A$. Once the preponderance of prior choices leans toward restaurant $A$, we can expect that all future arrivals will choose it as well. The next day, both restaurants start off empty again, and early arrivals in the sequence might have private information that restaurant $B$ is better, so subsequent arrivals would all go to restaurant $B$. Network externalities are a property of goods where consumption by others increases the utility of the good, such as a social networking web site whose utility depends on how many others are also subscribed, computer equipment that needs to interoperate with others’ equipment, or coordination problems like the choice of whether to drive on the right or left side of the road. The typical analysis (e.g., that of Choi (1997)) matches that of the restaurant problem. Both the information and the direct utility stories can be shown to produce a bifurcated distribution of results with probability one: over many days, restaurant $A$ will show either about 0% attendance or about 100% attendance every day. Many goods show such a blockbuster/flop dichotomy, such as movies (de Vaney and Walls, 1996). But for our purposes, a sharply bimodal distribution is not desirable. First, one would be hard-pressed to find an equity whose returns are truly bimodal. More importantly, such a bifurcated outcome distribution is typically platykurtic, the opposite of the leptokurtosis we seek. Consider an ideal bimodal distribution with density $r\in(0,1)$ at $a$ and density $1-r$ at $b$ (for any values of $a,b\in{\mathbb{R}}$, $a\neq b$). The distribution has normalized kurtosis equal to $\frac{1}{r-r^{2}}-3.$ For a symmetric distribution, $r=0.5$, the normalized kurtosis is one, and it remains less than three for any $r\in(.211,.789)$. Thus, a model that predicts a bifurcated distribution can only show a large fourth moment if the distribution is lopsided, which is not sustainable for equity returns. #### Distribution models Brock and Durlauf (2001) specify a model similar to the one presented here. In the first round, a prior percentage of actors is given, and people act iff that percentage would be large enough to give them a positive utility from acting. In subsequent rounds, individuals use the percentage of people who chose to act in the prior round to decide whether to act or not. The specific details of Brock and Durlauf’s assumptions lead to two possible outcomes. One is a bifurcation, much like the outcomes for the restaurant problem models above. The other, due to the specific form of the assumptions, is that the output distribution is the input distribution transformed via the hyperbolic tangent. The $\tanh$ transformation reduces the normalized kurtosis, and is therefore inappropriate for deriving leptokurtic equity returns. Glaeser et al. (1996) point out that the more people emulate others, the more likely are extreme outcomes, which they measure via “excess variance.” They do this via a Binomial model: if being the victim of a crime is a draw from a Bernoulli trial with probability $p$, then the mean of $n$ such trials is $np$, and the variance is $np(1-p)$. Thus, given $n$ and the sample mean (or equivalently, $n$ and $p$) we can solve for the expected variance, and if the observed variance is significantly greater, then we can reject the hypothesis of independent Bernoulli trials. However, this process says nothing about whether the observed victimization rates are Normally distributed or not: excess variance is not excess kurtosis or skew. #### Finance Within the theoretical finance literature, papers abound regarding herding behavior (e.g., Grossman (1976, 1981), Radner (1979), Choi (1997), Minehart and Scotchmer (1999)), although they concern themselves not with explaining herding, but with the information aggregation issues entailed by herding. Many stories regarding the emulation of others apply to the situation of the rational, self-interested manager of an asset portfolio: * • Pricing is partly based on the value of the underlying asset and partly on what others are willing to pay for the asset. At the extreme, people will buy a stock which pays zero dividends only if they are confident that there are other people who will also buy the stock; as more people are willing to buy, the value of the stock to any individual rises. * • It has long been a lament of the fund manager that if the herd does badly but he breaks even, he sees little benefit; but if the herd does well and he breaks even, then he gets fired. Therefore, behaving like others may explicitly appear in a risk-averse fund manager’s utility function. * • Since an undercapitalized company is likely to fail, the success of a public offering may depend on how well-subscribed it is, providing another justification for putting the behavior of others in the fund manager’s utility function. * • If a large number of banks take simultaneous large losses, then they may be bailed out; since a bail-out is unlikely if only one bank takes a loss, this may also serve as an incentive for financiers to take risks together. * • Simply following the herd: “[…] elements such as fashion and sense of honour affected the banks’ decision to take part in a syndicated loan. Banks are certainly not insensitive to prevailing trends, and if it is ‘the in thing’ to take part in syndicated loans[…], people sometimes consent too readily.” (Jepma et al., 1996, p 337) The model of this paper is a reduced form model which simply assumes that a financier’s expected utility from an action is increasing with the percentage of other people acting. I make no effort to explain which of the above motivations are present at any time, but assert that given these effects, the model below is applicable. Empirical studies of analyst recommendations find that they do indeed herd. For example, Graham (1999) finds evidence of herding among investment newsletter recommendations, and finds that the more reputable ones are more likely to herd. Meanwhile, Hong et al. (2000) finds evidence of herding among investment analysts, and finds that inexperienced analysts are “more likely to be terminated for bold forecasts that deviate from consensus,” and therefore less reputable analysts are more likely to herd. Welch (2000) finds that an analyst recommendation has a strong impact on the next two recommendations for the same security by other analysts, and that this effect is uncorrelated with whether the recommendations prove to be correct or not. Although these papers disagree in the details, they all find empirical evidence that analysts are inclined to behave like other analysts (and therefore the people who listen to analysts are likely to also behave alike), so the model below is apropos. ## 3 The model One run of the model below finds an output equilibrium demand given an input distribution of individual preferences. Repeating a single run thousands of times gives a distribution of equilibrium outcomes, which will have large kurtosis and skew under certain conditions. One run of the model consists of a plurality of agents (the simulations below use 10,000), each privately deciding whether to purchase a good. Each has an individual taste for consuming, $t\in{\mathbb{R}}$, where $t\sim{\cal N}(\epsilon,1)$ and $\epsilon$ is a small non-negative offset, fixed at zero or 0.05 in the simulations to follow. Let the proportion of the population consuming be $k\in[0,1]$, and let the desire to emulate others be represented by a coefficient $\alpha\in[0,\infty)$. Then the utility from consuming is $U_{c}=t+\alpha k.$ (1) The utility from not consuming is $U_{nc}=\alpha(1-k).$ (2) That is, agents who do not consume get utility from emulating the $1-k$ agents who also do not consume, but have a taste for non-consumption normalized to zero. One can show that this normalization is without loss of generality. Agents consume iff $U_{c}>U_{nc}$. A Bayesian Nash equilibrium is a set of acting agents, comprising the proportion $k_{a}$ percent of the population, where all acting agents have $U_{c}>U_{nc}$ given $k_{a}$ percent acting, and all agents outside the acting set have $U_{c}\leq U_{nc}$ given $k_{a}$ percent acting. It can be shown that, given the assumptions here, the game has a cutoff-type equilibrium, where there is a cutoff value $T$ such that every agent with private tastes greater than $T$ acts and every agent with $t\leq T$ does not act. An agent with private taste $t$ equal to the cutoff $T$ will have $U_{c}=U_{nc}$. One could embed this model of the distribution of demand into a larger model, such as a simple supply-demand model where supply remains fixed and demand shifts as per the model here, and prices thus vary with demand. To maintain focus on the core concept, this paper will cover only the core model describing the distribution of $\hat{k}$. ### 3.1 Implementation Recall the restaurant problem, where we measured the turnout to restaurant $A$ every day for a few weeks or months. Each day gave us another draw of diners from the population, and it was the aggregate of turnouts over several days that added up to the bimodal distribution. Similarly, the literature on equities did not claim that if we surveyed willingness to pay by all members of the market at some instant in time, the distribution would be leptokurtic; rather, the claim is that every day there is a new distribution of willingness to pay, which produces a single outcome for the day, and tallying those outcomes over time generates a leptokurtic distribution. This model draws a sample distribution (which one could think of as today’s market, and which will be close to a Normal distribution), finds the equilibrium value $\hat{k}$, and then repeats until there are enough samples of $\hat{k}$ that we can estimate the moments of $\hat{k}$’s distribution. We must first solve for the equilibrium percent acting for a single run. Briefly switching from the equilibrium percent acting $k$ to the equilibrium cutoff taste $T$, one can find the equilibrium for a single distribution by finding the value of $T$ such that an agent with that value is indifferent between action and inaction, given that the cutoff is at that value (that is, $U_{c}$ in Equation 1 equals $U_{nc}$ in Equation 2). Write the proportion not acting given cutoff $T$ as $\hbox{CDF}(T)$ (i.e. the cumulative distribution function of the empirical distribution of tastes up to the cutoff $T$); then any value of $T$ that satisfies $T=\alpha(1-2\hbox{CDF}(T))$ (3) is an equilibrium. There are typically no closed-form solutions for $T$, so the work will require a numeric search. I use an agent-based simulation to organize the draws. For each step, the simulation draws 10,000 agents from the fixed distribution, then the simulation algorithm solves for equilibrium via tatônnement, as detailed below. The equilibrium reached via market simulation is a Bayesian Nash equilibrium as in Equation 3. There are other search strategies for finding the equilibrium given the draws of $t$, but the agent-based model has the advantages of always finding the equilibrium and providing a realistic story of what happens in the market. Repeating the process for thousands of draws from the fixed distribution, starting each simulation with a new set of random draws of tastes $t$ from the same distribution, will produce a distribution of the statistics $\hat{T}$ and $\hat{k}$, including multiple modes when there are multiple equilibria. The algorithm for a single run of the simulation is displayed in Figure 1. In each step, agents consume or do not based on the value of $k$ from the last step, and the process repeats until the value of $k$ no longer changes. The output of the process is the equilibrium value of $\hat{T}$ and the equilibrium percent acting $\hat{k}$. With a sufficiently large number of runs (in the simulations here, 20,000), it is possible to calculate the moments ${\cal{S}}(\hat{k})$ and $\kappa(\hat{k})$. –Fix $N$ and $\epsilon$. –Generate a new population of agents: Hey.–Set the initial value of $k=\frac{1}{2}$. Hey.–For each agent: Hey.Hey.–Draw a taste $t$ from a ${\cal N}(\epsilon,1)$ distribution. –While $k$ this period is not equal to $k$ last period: Hey.–For each agent: Hey.Hey.–Consume iff $U_{k}\geq U_{nk}$. Hey.–Recalculate $k$. –Record the equilibrium percent acting $k$. Figure 1: The algorithm for finding the equilibrium level of consumption for one run. The code itself is a short script written in C using the open source Apophenia library (Klemens, 2008), and is available upon request. 0 0.005 0.01 0.015 0.02 0.025 0.03 0.035 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 $\alpha=1$ $\alpha=1.3$ $\alpha=1.6$ Figure 2: Above, three distributions of the equilibrium percent acting $k$, for 20,000 runs with $\alpha$ equal to 1 (unimodal), 1.3 (bimodal with modes near 0.3 and 0.7), and 1.6 (bimodal with modes near 0.1 and 0.9). Below, a full sequence of such distributions, for $\alpha=0.5$ in front up to $\alpha=2$ at the back. Vertical axis is the percent of runs (out of 20,000 per $\alpha$) whose equilibrium is in the given histogram bin. The three slices in the 2-D plot are indicated by a line on the floor of the 3-D plot. 1 1.5 2 2.5 3 3.5 0 0.5 1 1.5 2 2.5 Normalized kurtosis ($\kappa/\sigma^{4}$) Emulation parameter ($\alpha$) Figure 3: The normalized kurtosis reveals the narrow range of transition from Normal-type distribution ($\kappa/\sigma^{4}=3$) to bimodal-type distribution ($\kappa/\sigma^{4}=1$). ### 3.2 Results It is instructive to begin with the symmetric case, where $\epsilon=0$, so agents’ private tastes are drawn from a ${\cal N}(0,1)$ distribution. Figure 2 shows a sequence of distributions of the equilibrium percent acting $k$, from the distribution given $\alpha=1$ up to the distribution for $\alpha=2.5$, with distributions for three specific values of $\alpha$ highlighted. Small values of $\alpha$ (where utility is mostly private valuation) result in a Normal output distribution of prices, while large values of $\alpha$ (where utility is mostly public) give a coordination-game style bifurcation. As $\alpha$ goes from the Normal range to the bifurcated range, there is a small range of $\alpha$ where the transition occurs, and the distribution is neither fully bifurcated nor Normal. At large $\alpha$, the value of $k$ between the sink that sends the simulation to the lower equilibrium and the sink that sends the simulation to the higher equilibrium (near 0.5) is an unstable equilibrium; in theory it occurs with probability zero, but in a finite simulation it occurs with small probability.222The figures are the aggregate of 20,000 runs of the simulation. If an equilibrium was reached even once, then it appears as a mark in the 3-D plot. The 2-D plots have lower resolution, and unlikely events may blend with the axes. Below, we will see that these distributions with a small middle mode behave like a bifurcated distribution, so I will refer to them as such. The small transition range is especially clear when we look at the normalized kurtosis of each $\alpha$’s distribution, which is not at all a uniform shift. As in Figure 3, the normalized kurtosis is consistently three for small values of $\alpha$ (as for a Normal distribution), is consistently one for large values of $\alpha$ (as for a symmetric bimodal distribution), and has a quick period of transition between $\alpha\approx 1$ and $\alpha\approx 1.4$.333The units on $\alpha$ are utils per percent acting, so exact values of $\alpha$ are basically meaningless. Rescaling $t$ (by changing its variance) would produce entirely different values of $\alpha$, but the qualitative effects described here would still hold. 0 0.005 0.01 0.015 0.02 0.025 0.03 0.035 0.04 0.045 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 $\alpha=1$ $\alpha=1.3$ $\alpha=1.6$ Figure 4: Two views of the $\alpha$-to-cutoff-frequency relation. PDFs of cutoffs for three given levels of $\alpha$ (1=unimodal near center, 1.3=unimodal to right, 1.6=bimodal) are displayed in 2-D form at top. At bottom is a series of PDFs for a range of values of $\alpha$ from $\alpha=0.5$ at front to $\alpha=2$ at rear. 0 50 100 150 200 250 0 0.5 1 1.5 2 2.5 Normalized kurtosis ($\kappa/\sigma^{4}$) Emulation parameter ($\alpha$) -12 -10 -8 -6 -4 -2 0 2 0 0.5 1 1.5 2 2.5 Normalized skew (${\cal{S}}/\sigma^{3}$) Emulation parameter ($\alpha$) Figure 5: The relationship between $n$ (on the horizontal axis) and $\kappa/\sigma^{4}$ (on the vertical axis, top) or ${\cal{S}}/\sigma^{3}$ (on the vertical axis, bottom). Figure 4 shows the sequence of distributions where $\epsilon=0.05$. For $\alpha\approx 0$, the distribution is roughly equivalent to the $\epsilon=0$ situation but shifted upward slightly; for $\alpha\approx 2$ and above, where the outcome distribution is bifurcated, the slight shift in the distribution’s center causes positive outcomes to be more likely than negative outcomes. However, between these two outcomes lies a range of $\alpha$ where the $\epsilon=0$ case would have led to a bifurcation, but the lower tail of the distribution is suppressed because the nobody-acts equilibrium is not feasible. In this range, we have an asymmetric but unimodal distribution. Figure 5 plots normalized kurtosis for each $\alpha$’s distribution. The neighborhood of $\alpha\approx 1.3$ is again salient, because the normalized kurtosis in that range is an order of magnitude larger than three. The model’s exceptional success in generating a leptokurtic outcome makes the plot’s vertical scale rather large, so it may be difficult to discern that the kurtosis up to the peak is three, and after the peak is one, as in the $\epsilon=0$ case. The bottom plot of Figure 5 shows that normalized skew follows the same story relative to $\alpha$ as did kurtosis: it spikes around 1.3, where the distribution of equilibrium percent acting has heavily negative skew. Thus, given a realistic value of $\epsilon$ (i.e., anything but exactly zero), and a value of $\alpha$ that is not too small to be equivalent to the private preferences case and not too large to be equivalent to the full herding case, the distribution of outcomes is unimodal, leptokurtic, and has a negative skew. ## 4 Conclusion There are several explanations for why rational agents would choose to emulate others, all of which advise that a utility function meant to describe a trader in the finance markets should include a term for the desire to emulate others. Meanwhile, we know that equity return distributions show certain consistent deviations from the Normal distribution implied by naïve application of a Central Limit Theorem. Adding a term for the emulation of others to individual utilities produces aggregate outcome distributions that show these same deviations from Normal: extreme outcomes happen more often, and do so asymmetrically. However, the story is not quite as simple as saying that people tend to imitate others. The type of distribution observed in equity returns appears in a middle-ground between two extreme types of utility function. With $\alpha$ small, the distribution of cutoffs is more-or-less that of a situation of purely private utility. With $\alpha$ large, the distribution follows the story of agents that simply follow the herd. But between these two situations, there is a transition range where the distribution of cutoffs has the desired characteristics of being unimodal, having large kurtosis, and skew toward zero. Thus, the model explains this type of distribution via an interplay between private and emulative utility. This paper has shown that peer effects can generate leptokurtic outcomes under certain conditions. This creates the possibility that an observed leptokurtic distribution can be explained by peer effects. For example, Jones et al. (2003) found leptokurtic outcomes in Congressional actions such as budget allocations; I suggest in this paper that a model of Congressional representatives who emulate each other can generate such an outcome distribution. When outcomes have a blockbuster/flop bimodality, there is little doubt that peer effects are at play, but the model here shows that even more subtle outcomes, with unimodal distributions but fat tails, may also be the result of agents who gain direct or indirect utility from emulating each other. ## References * Bakshi et al. [2003] Gurdip Bakshi, Nikunj Kapadia, and Dilip Madan. Stock return characteristics, skew laws, and the differential pricing of individual equity options. _The Review of Financial Studies_ , 16(1):101–143, Spring 2003. * Banerjee [1992] Abhijit V Banerjee. A simple model of herd behavior. _The Quarterly Journal of Economics_ , 107(3):797–817, Aug 1992. * Barbieria et al. 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Herd behavior, the “penguin effect,” and the suppression of informational diffusion: an analysis of information externalities and payoff interdependency. _RAND Journal of Economics_ , 28(3):407–425, Autumn 1997. * de Vaney and Walls [1996] Arthur de Vaney and W David Walls. Bose-Einstein dynamics and adaptive contracting in the motion picture industry. _The Economics Journal_ , 47:1493–1514, November 1996. * Epstein and Axtell [1996] Joshua M Epstein and Robert Axtell. _Growing Artificial Societies: Social Science from the Bottom Up_. Brookings Institution Press and MIT Press, 1996. * Fama [1965] Eugene Fama. The behavior of stock prices. _Journal of Business_ , 47:244–80, January 1965. * Glaeser et al. [1996] Edward L Glaeser, Bruce Sacerdote, and Jose A Scheinkman. Crime and social interactions. _The Quarterly Journal of Economics_ , 111(2):507–48, May 1996. * Graham [1999] John R Graham. Herding among investment newsletters: Theory and evidence. _Journal of Finance_ , 54(1):237–268, February 1999. * Grossman [1981] Sanford J Grossman. An introduction to the theory of rational expectations under asymmetric information. _Review of Economic Studies_ , 48:541–559, 1981. * Grossman [1976] Sanford J Grossman. On the efficiency of competitive stock markets where trades have diverse information. _The Journal of Finance_ , 31(2):573–585, May 1976. * Hong et al. [2000] Harrison Hong, Jeffrey D Kubik, and Amit Solomon. Security analysts’ career concerns and herding of earnings forecasts. _RAND Journal of Economics_ , 31(1):121–144, Spring 2000. * Jepma et al. [1996] C J Jepma, H Jager, and E Kamphuis. _Introduction to International Economics_. Addison–Wesley, 1996. * Jones et al. [2003] Bryan D Jones, Tracy Sulkin, and Heather A Larsen. Policy punctuations in American political institutions. _American Political Science Review_ , 97(1):151–169, February 2003. * Klemens [2008] Ben Klemens. _Modeling with Data: Tools and Techniques for Statistical Computing_. Princeton University Press, 2008. * Kon [1984] Stanley J Kon. Models of stock returns–a comparison. _The Journal of Finance_ , 39(1):147–165, 1984\. * Mackay [1841] Charles Mackay. _Popular Delusions and the Madness of Crowds_. Richard Bentley, 1841. * Mandelbrot [1963] Benoit Mandelbrot. The variation of certain speculative prices. _The Journal of Business_ , 36(4):394–419, 1963\. * Minehart and Scotchmer [1999] Deborah Minehart and Suzanne Scotchmer. Ex post regret and the decentralized sharing of information. _Games and Economic Behavior_ , 27:114–131, 1999. * Radner [1979] Roy Radner. Rational expectations equilibrium: Generic existence and the information revealed by prices. _Econometrica_ , 47(3):655–678, May 1979. * Schiller [2008] Robert J Schiller. 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arxiv-papers
2013-04-02T18:07:18
2024-09-04T02:49:43.778256
{ "license": "Public Domain", "authors": "Ben Klemens", "submitter": "Ben Klemens", "url": "https://arxiv.org/abs/1304.0718" }
1304.0753
# A generalization of the Shafer-Fink inequality Jacopo D’Aurizio Università di Pisa [email protected] (02-03-2013) In this article we will prove some generalizations and extensions of the Shafer-Fink ([3]) double inequality for the arctangent function: ###### Theorem 1. For any positive real number $x$, $\frac{3x}{1+2\sqrt{1+x^{2}}}<\arctan x<\frac{\pi x}{1+2\sqrt{1+x^{2}}}$ holds. ###### Proof. Following the lines of ([2]), we consider the substitution $x=\tan\theta$, that gives the following, equivalent form of the inequality: $\forall\theta\in I=(0,\pi/2),\qquad\theta(\cos\theta+2)-\pi\sin\theta<0<\theta(\cos\theta+2)-3\sin\theta.$ If now we set $f_{K}(\theta)=(\cos\theta+2)-K\,\frac{\sin\theta}{\theta}$ we have: $\theta^{2}\,\frac{df_{K}}{d\theta}=(K-\theta^{2})\sin\theta-K\theta\cos\theta.$ Since for any $\theta\in I$ we have: $\frac{\theta}{\tan\theta}<1-\frac{\theta^{2}}{3}<1-\frac{\theta^{2}}{\pi},$ $f_{3}(\theta)$ ed $f_{\pi}(\theta)$ are both non-decreasing on $I$, in virtue of $\frac{df_{K}}{d\theta}\geq 0$; moreover, $f_{K}^{\prime}(0)=0$ and $f_{K}^{\prime}$ cannot be zero on $I$. Since: $f_{3}(0)=0,\quad f_{3}(\pi/2)>0,\quad f_{\pi}(0)<0,\quad f_{\pi}(\pi/2)=0,$ the claim follows. ∎ We give now a different proof of this inequality, that relies on the bisection formula for the cotangent function and the associated Weierstrass product. From the logarithmic derivative of the Weierstrass product for the sine function we know that for any $x\in[0,\pi/2]$ $f(x)=x\cot x=1-2\sum_{k=1}^{+\infty}\frac{\zeta(2k)}{\pi^{2k}}\,x^{2k}$ holds. Since $f(x)$ is an even function, there exists a suitable linear combination $g_{1}(x)$ of $f(x)$ and $f(x/2)$ that satisfies: $g_{1}(x)=A_{0}f(x)+A_{1}f(x/2)=1-\sum_{k\geq 2}C^{(1)}_{k}\,x^{2k}.$ With the choices $A_{0}=-\frac{1}{3},A_{1}=\frac{4}{3}$ the previous identity holds, and, for any $k\geq 2$: $C^{(1)}_{k}=\left(A_{0}+\frac{A_{1}}{4^{k}}\right)\frac{\zeta(2k)}{\pi^{2k}}<0,$ so $g_{1}(x)$ is an increasing and convex function over $I=[0,\pi/2]$. From that, $\forall x\in I,\quad\left(-\frac{1}{3}x\cot x+\frac{2}{3}x\cot\frac{x}{2}\right)\in[g_{1}(0),g_{1}(\pi/2)]=[1,\pi/3]$ follows. If now we consider the bisection formula for the cotangent function: $\cot\frac{x}{2}=\cot x+\sqrt{1+\cot^{2}x}$ we have a different proof of the Shafer-Fink inequality. We consider now $g_{2}(x)$ as a linear combination of $f(x),f(x/2)$ and $f(x/4)$ such that: $g_{2}(x)=A_{0}f(x)+A_{1}f(x/2)+A_{2}f(x/4)=1-\sum_{k\geq 3}C^{(2)}_{k}\,x^{2k}.$ From the annihilation of the coefficient of $x^{2}$ in the RHS we deduce the constraint $A_{0}+A_{1}\cdot\frac{1}{4}+A_{2}\cdot\frac{1}{16}=0$, and from the annihilation of the coefficient of $x^{4}$ we deduce the constraint $A_{0}+A_{1}\cdot\frac{1}{16}+A_{2}\cdot\frac{1}{256}=0$. If we take $p_{2}(x)=A_{0}+A_{1}x+A_{2}x^{2}$, such constraints translate into $p_{2}(1/4)=p_{2}(1/16)=0$, from which: $p_{2}(x)=K_{2}\left(x-\frac{1}{4}\right)\left(x-\frac{1}{16}\right),$ with $K_{2}=(1-1/4)^{-1}\cdot(1-1/16)^{-1}$ in order to grant $A_{0}+A_{1}+A_{2}=p_{2}(1)=1$. Since $C^{(2)}_{k}=\frac{\zeta(2k)}{\pi^{2k}}p_{2}(4^{-k})$, all the non-zero coefficients of the Taylor series of $g_{2}(x)$, except (at most) the first one, have the same sign, so $g_{2}(x)$ is a monotonic function over $I$. In particular: $\displaystyle\forall x\in I,\qquad\frac{\pi(3+8\sqrt{2})}{45}=g_{2}(\pi/2)\leq g_{2}(x)$ $\displaystyle=\frac{1}{45}\left(f(x)-20f(x/2)+64f(x/4)\right)$ $\displaystyle=\frac{x}{45}\left(\cot x-10\cot(x/2)+16\cot(x/4)\right)\leq 1,$ from which we get: $\pi(3+8\sqrt{2})\leq x\left(\cot x-10\cot(x/2)+16\cot(x/4)\right)\leq 45.$ By using twice the bisection formula for the cotangent, we have the following strengthening of the Shafer-Fink inequality: ###### Theorem 2 (D’Aurizio). For any positive real number $x$ $\pi(3+8\sqrt{2})\cdot f(x)<\arctan x<45\cdot f(x)$ holds, where: $f(x)=\frac{x}{7+6\,\sqrt{1+x^{2}}+16\sqrt{2}\,\sqrt{1+x^{2}+\sqrt{1+x^{2}}}}.$ The same approach leads to an arbitrary strengthening of the Shafer-Fink inequality: ###### Theorem 3 (D’Aurizio). For any positive real number $x$ and for any positive natural number $n$, once defined: $f(x)=x\cot x=1-2\sum_{k=1}^{+\infty}\frac{\zeta(2k)}{\pi^{2k}}\,x^{2k},$ $p_{n}(x)=\prod_{k=1}^{n}\frac{(4^{k}x-1)}{(4^{k}-1)}=A_{0}+A_{1}x+\ldots+A_{n}x^{n},$ $g_{n}(x)=\sum_{k=0}^{n}A_{k}\,f(2^{-k}x)=x\sum_{k=0}^{n}\frac{A_{k}}{2^{k}}\,\cot(2^{-k}x),$ $e_{j}(x_{1},\ldots,x_{k})=\sum_{sym}x_{1}\cdot\ldots\cdot x_{j},$ $L_{0}(x)=1,\qquad L_{n+1}(x)=L_{n}(x)+\sqrt{x^{2}+L_{n}(x)^{2}},$ we have: $K_{low}\cdot a_{n}(x)<\arctan(x)<K_{high}\cdot a_{n}(x),$ where $K_{low}=\min(g_{n}(0),g_{n}(\pi/2))$, $K_{high}=\max(g_{n}(0),g_{n}(\pi/2))$ and: $a_{n}(x)=x\cdot\left(\sum_{j=0}^{n}(-1)^{n-j}\cdot L_{j}(x)\cdot 2^{j}\cdot e_{j}(1,4,\ldots,4^{n-1})\right)^{-1}.$ Moreover, $K_{high}-K_{low}<\frac{1}{4^{n}}$. ###### Proof. By taking $p_{n}(x)=\prod_{k=1}^{n}\frac{(4^{k}x-1)}{(4^{k}-1)}=A_{0}+A_{1}x+\ldots+A_{n}x^{n}$ we have $p_{n}(1)=1$ and $p_{n}(4^{-j})=0$ for every $j\in[1,n]$. In particular, the Taylor series of $g_{n}(x)=\sum_{k=0}^{n}A_{k}\,f(2^{-k}x)=x\sum_{k=0}^{n}\frac{A_{k}}{2^{k}}\,\cot(2^{-k}x).$ is equal to: $1-2\sum_{k=1}^{+\infty}\frac{\zeta(2k)p_{n}(4^{-k})}{\pi^{2k}}\,x^{2k}=1-2\sum_{k>n}C^{(k)}_{n}\,x^{2k},$ and all the $C^{(k)}_{n}$ with $k>n$ have the same sign, so $g_{n}(x)$ is monotonic over $[0,\pi/2]$, with $g_{n}(0)=1$. In particular, we have: $\forall x\in[0,\pi/2],\qquad x\cdot\sum_{j=0}^{n}(-1)^{n-j}\cot\left(\frac{x}{2^{j}}\right)2^{j}\,e_{j}(1,4,\ldots,4^{n-1})\leq\prod_{k=1}^{n}(4^{k}-1),$ where $e_{j}$ is the $j$-th elementary symmetric function. Since for any $m>n$ we have $|p_{n}(4^{-m})|<1$, $\left|g_{n}(\pi/2)-g_{n}(0)\right|\leq\sum_{k>n}\frac{\zeta(2k)}{4^{k}}<\frac{1}{4^{n}}.$ holds. ∎ We give now another upper bound for the arctangent function that does not belong to the last family of inequalities, but that strenghtens the inequality $\arctan x<\frac{\pi x}{1+2\sqrt{1+x^{2}}}$, too. ###### Theorem 4. For any positive real number $x$ $\arctan x<\frac{\pi x}{\frac{4}{\pi}+\sqrt{2}\sqrt{1+x^{2}+x\sqrt{1+x^{2}}}}$ holds. ###### Proof. By using the substitution $x=\tan\theta$, it is sufficient to prove that for any $\theta\in I=[0,\pi/2]$ we have: $\theta\leq\frac{\pi\sin\theta}{\frac{4}{\pi}\cos\theta+\sqrt{2+2\sin\theta}},$ that is also equivalent, up to the change of variable $\theta=\pi/2-\phi$, to the inequality: $\frac{\pi}{2}-\phi\leq\frac{\pi\cos\phi}{\frac{4}{\pi}\sin\phi+2\cos(\phi/2)},$ or the inequality: $\frac{\cos\phi}{1-\frac{2\phi}{\pi}}\geq\cos(\phi/2)\left(\frac{4}{\pi}\sin(\phi/2)+1\right).$ In order to prove the latter it is sufficient to prove: $\frac{\cos\phi}{1-\frac{2\phi}{\pi}}\geq\cos(\phi/2)\left(1+\frac{2\phi}{\pi}\right),$ or: $\frac{\cos\phi}{1-\frac{4\phi^{2}}{\pi^{2}}}\geq\cos(\phi/2).$ By considering the Weierstrass product for the cosine function we may rewrite the last line in the form: $\prod_{k=1}^{+\infty}\left(1-\frac{4x^{2}}{(2k+1)^{2}\pi^{2}}\right)\geq\prod_{k=1}^{+\infty}\left(1-\frac{x^{2}}{(2k-1)^{2}\pi^{2}}\right).$ By considering the Taylor series of the logarithm of both sides, we simply have to prove: $\forall m\in\mathbb{N}_{0},\qquad(4^{m}-1)\zeta(2m)-4^{m}-(1-4^{-m})\zeta(2m)\leq 0,$ that is a consequence of: $\forall m\in\mathbb{N}_{0},\qquad\zeta(2m)\leq\frac{4^{m}+1}{4^{m}-1},$ implied by: $\forall m\in\mathbb{N}_{0},\qquad(4^{m}-1)(\zeta(2m)-1)\leq 2.$ An upper bound for the LHS is the series: $1+\sum_{k=1}^{+\infty}\left(\frac{4}{(2k+1)^{2}}\right)^{m},$ whose value decreases as $m$ increases; so we have: $(4^{m}-1)(\zeta(2m)-1)\leq 1+\sum_{k=1}^{+\infty}\frac{4}{(2k+1)^{2}}=3\zeta(2)-3,$ and the RHS is less than $2$ since $\pi^{2}<10$ holds. ∎ Now we make a step back into the general setting of double inequalities for the arctangent function. ###### Lemma 1. If $f(u),g(u)$ are a couple of real functions such that, for any $u\in[0,1]$, $f(u)\leq\arctan u\leq g(u)$ holds, then: $2\cdot f\left(\frac{x}{1+\sqrt{1+x^{2}}}\right)\leq\arctan x\leq 2\cdot g\left(\frac{x}{1+\sqrt{1+x^{2}}}\right)$ holds for any $x\in\mathbb{R}^{+}$. ###### Proof. In virtue of the angle bisector theorem, $\arctan t=2\arctan\left(\frac{t}{1+\sqrt{1+t^{2}}}\right)$ for any $t\geq 0$, so if the first inequality holds for any $\theta=\arctan u$ in the range $[0,\pi/4]$, the second inequality holds for any $\theta=\arctan x$ in the range $[0,\pi/2]$. ∎ The last lemma gives a third way to prove the Shafer-Fink inequality. By direct inspection of the Taylor series of $\frac{\arctan u}{u}$, it is easy to show that $(3+u^{2})\frac{\arctan u}{u}$ is an increasing function over $[0,1]$, so: $\frac{3u}{3+u^{2}}\leq\arctan u\leq\frac{\pi u}{3+u^{2}},$ and it is sufficient to use the substitution $u=\frac{x}{1+\sqrt{1+x^{2}}}$ to give another proof of the Shafer-Fink inequality. ###### Lemma 2. If an approximation $f(u)$ of the arctangent function satisfies: $\|f(u)-\arctan(u)\|_{\mathbb{R}^{+}}=\sup_{u\in\mathbb{R}^{+}}|f(u)-\arctan(u)|=C_{\infty},$ then $\left\|2\cdot f\left(\frac{u}{1+\sqrt{1+u^{2}}}\right)-\arctan(u)\right\|_{\mathbb{R}^{+}}=2\cdot\|f(u)-\arctan(u)\|_{(0,1)}=2\cdot C_{1},$ and, for any $t\in(0,1)$, $\left\|2\cdot f\left(\frac{u}{1+\sqrt{1+u^{2}}}\right)-\arctan(u)\right\|_{(0,t)}=2\cdot\|f(u)-\arctan(u)\|_{\left(0,\frac{2t}{1-t^{2}}\right)}.$ This simple consequence of the previous lemma tell us the fact that any algebraic approximation of the arctangent function in a right neighbourhood of zero can be “lifted” to an algebraic approximation over the whole $\mathbb{R}^{+}$, through the iteration of the map $f(u)\quad\longrightarrow\quad 2\cdot f\left(\frac{u}{1+\sqrt{1+u^{2}}}\right).$ For example, if we consider the Lagrange interpolation polynomial for the arctangent function with respect to the points $(0,\tan(\pi/8)=\sqrt{2}-1,\tan(\pi/4)=1)$ $p(x)=\frac{\pi}{4}\cdot\frac{x(x-\sqrt{2}+1)}{2-\sqrt{2}}+\frac{\pi}{8}\cdot\frac{x(x-1)}{(\sqrt{2}-1)(\sqrt{2}-2)},$ we have $\|p(x)-\arctan x\|_{(0,1)}<\frac{1}{230},$ so, by considering $2\cdot p\left(\frac{x}{1+\sqrt{1+x^{2}}}\right)$: ###### Theorem 5. For any non negative real number $x$, the absolute difference between $\arctan(x)$ and $\frac{\pi x\left(\left(4+\sqrt{2}\right)\left(1+\sqrt{1+x^{2}}\right)-\sqrt{2}\,x\right)}{8\left(1+\sqrt{1+x^{2}}\right)^{2}}$ is less than $\frac{1}{115}$. Another way to produce really effective approximation is to use the Chebyshev expansion for the arctangent function: ###### Lemma 3. The sequence of functions: $f_{n}(x)=2\sum_{k=0}^{n}\frac{(-1)^{k}}{(2k+1)(1+\sqrt{2})^{2k+1}}\;T_{2k+1}(x),$ where $T_{k}(x)$ is the $k$-th Chebyshev polynomial of the first kind, gives a uniform approximation of the arctangent function over the interval $[0,1]$: $\|\arctan x-f_{n}(x)\|_{[0,1]}\leq\frac{1}{(1+\sqrt{2})^{2n+3}}.$ Moreover, $\arctan(mx)=2\sum_{k=0}^{+\infty}\frac{(-1)^{k}}{(2k+1)}\left(\frac{m}{1+\sqrt{1+m^{2}}}\right)^{2k+1}\,T_{2k+1}(x)$ holds for any $x\in(-1,1)$ and for any $m\in\mathbb{N}_{0}$. ###### Theorem 6. For any $n\in\mathbb{N}_{0}$ and for any $x\in\mathbb{R}$ $\left|\;\arctan x-4\sum_{k=0}^{n}\frac{(-1)^{k}}{(2k+1)(1+\sqrt{2})^{2k+1}}\;T_{2k+1}\left(\frac{x}{1+\sqrt{1+x^{2}}}\right)\right|\leq\frac{1}{\left(3+2\sqrt{2}\right)^{n}}.$ Still another way is to use the continued fraction representation for the arctangent funtion: $\arctan z=\frac{z}{1+\frac{z^{2}}{3+\frac{4z^{2}}{5+\frac{9z^{2}}{7+\frac{16z^{2}}{9+\frac{25z^{2}}{11+\ldots}}}}}},$ from which we get a sequence of approximations for $\arctan x$ over $[0,1]$: $\left\\{\begin{array}[]{cll}K_{1}(x)&=\displaystyle\frac{x}{1+x^{2}/3},&\\\\[11.38092pt] K_{2}(x)&=\displaystyle\frac{x}{1+x^{2}/(3+4x^{2}/5)}&=\displaystyle\frac{x(15+4x^{2})}{15+9x^{2}},\\\\[11.38092pt] K_{3}(x)&=\displaystyle\frac{x}{1+x^{2}/(3+4x^{2}/(5+9x^{2}/7))}&=\displaystyle\frac{5x\left(21+11x^{2}\right)}{105+90x^{2}+9x^{4}}\\\\[11.38092pt] \ldots&&\end{array}\right.$ that satisfy: $\|\arctan x-K_{n}(x)\|_{[0,1]}\leq\frac{1}{2\cdot 4^{n}},$ so: $\left\|\arctan x-K_{n}\left(\frac{x}{1+\sqrt{1+x^{2}}}\right)\right\|_{\mathbb{R}}\leq\frac{1}{4^{n}},$ with an error term that is the same achieved by $a_{n}(x)$, defined as in Theorem (3). By using the Taylor series for the arctangent function with respect to the point $x=1$ one has: $\arctan{x}=\frac{\pi}{4}-\sum_{j=0}^{+\infty}\left(-\frac{(1-x)^{4}}{4}\right)^{j}\cdot\left(\frac{(1-x)}{2(4j+1)}+\frac{(1-x)^{2}}{2(4j+2)}+\frac{(1-x)^{3}}{4(4j+3)}\right).$ By plugging in $x=2/3$ we have: $\arctan\frac{1}{5}=\sum_{j=0}^{+\infty}\left(-\frac{1}{324}\right)^{j}\cdot\left(\frac{1}{6(4j+1)}+\frac{1}{18(4j+2)}+\frac{1}{108(4j+3)}\right),$ and by plugging in $x=119/120$ we have: $\arctan\frac{1}{239}=\sum_{j=0}^{+\infty}\left(-\frac{1}{829440000}\right)^{j}\cdot\left(\frac{1}{240(4j+1)}+\frac{1}{28800(4j+2)}+\frac{1}{6912000(4j+3)}\right).$ The Machin Formula $\frac{\pi}{4}=4\arctan\frac{1}{5}+\arctan\frac{1}{239}$ give us the possibility to exhibit a good approximation for $\pi$: $\displaystyle\pi=8\;$ $\displaystyle\sum_{j=0}^{+\infty}\left(-\frac{1}{324}\right)^{j}\cdot\left(\frac{1}{3(4j+1)}+\frac{1}{9(4j+2)}+\frac{1}{54(4j+3)}\right)+$ $\displaystyle+$ $\displaystyle\sum_{j=0}^{+\infty}\left(-\frac{1}{829440000}\right)^{j}\cdot\left(\frac{1}{60(4j+1)}+\frac{1}{7200(4j+2)}+\frac{1}{1728000(4j+3)}\right).$ In the same fashion, we have that: $\arctan\frac{1}{2z-1}=\sum_{j=0}^{+\infty}\left(-\frac{1}{4z^{4}}\right)^{j}\cdot\left(\frac{1}{2z(4j+1)}+\frac{1}{2z^{2}(4j+2)}+\frac{1}{4z^{3}(4j+3)}\right)$ holds for any $z\geq 1$, and the truncated series gives a better and better approximation as $z$ goes to infinity. By a change of variable, the same is true for: $\arctan\frac{1}{t}=\sum_{j=0}^{+\infty}\left(-\frac{4}{(t+1)^{4}}\right)^{j}\cdot\left(\frac{1}{(t+1)(4j+1)}+\frac{2}{(t+1)^{2}(4j+2)}+\frac{2}{(t+1)^{3}(4j+3)}\right),$ and: $\arctan u=\sum_{j=0}^{+\infty}\left(-\frac{4u^{4}}{(u+1)^{4}}\right)^{j}\cdot\left(\frac{u}{(u+1)(4j+1)}+\frac{2u^{2}}{(u+1)^{2}(4j+2)}+\frac{2u^{3}}{(u+1)^{3}(4j+3)}\right)$ holds for any $u\in[0,1]$. By taking: $s_{n}(u)=\sum_{j=0}^{n}\left(-\frac{4u^{4}}{(u+1)^{4}}\right)^{j}\cdot\left(\frac{u}{(u+1)(4j+1)}+\frac{2u^{2}}{(u+1)^{2}(4j+2)}+\frac{2u^{3}}{(u+1)^{3}(4j+3)}\right)$ we have that: $\left|\arctan u-s_{n}(u)\right|\leq\left(\frac{\sqrt{2}\,u}{u+1}\right)^{4n}$ for any $u\in[0,1]$, with $s_{n}$ being an upper bound for $\arctan u$ over $[0,1]$ for any even $n$ and a lower bound for any odd $n$. If we consider: $t_{n}(u)=\frac{\pi}{4}-s_{n}\left(\frac{1-u}{1+u}\right)=\frac{\pi}{4}-\sum_{j=0}^{n}\left(-\frac{(1-u)^{4}}{4}\right)^{j}\cdot\left(\frac{1-u}{2(4j+1)}+\frac{(1-u)^{2}}{2(4j+2)}+\frac{(1-u)^{3}}{4(4j+3)}\right),$ then $t_{n}$ is a lower/upper bound for the arctangent function over $[0,1]$ if and only if $s_{n}$ is a lower/upper bound, and: $\left|\arctan u-t_{n}(u)\right|\leq\left(\frac{1-u}{\sqrt{2}}\right)^{4n}$ holds. Any convex combination of $s_{n}$ and $t_{n}$ is still a lower/upper bound - by taking: $w_{n}(u)=\frac{u^{4n+4}\cdot t_{n}(u)+(1-u)^{4n+4}\cdot s_{n}(u)}{u^{4n+4}+(1-u)^{4n+4}}$ we can perform a reduction of the uniform error, since: $\left|w_{n}(u)-\arctan u\right|\leq\frac{1}{20^{n}}$ and the error function goes very fast to zero when $u$ approaches $0$ or $1$. This gives that $w_{n}\left(\frac{u}{1+\sqrt{1+u^{2}}}\right)$ is an especially good lower/upper bound for the arctangent function when $u$ is close to $0$ or much bigger than $1$, achieving the same uniform error term with respect to the generalized Shafer-Fink inequality or the continued fraction expansion. ## References * [1] A.M. Fink: Two inequalities, Univ. Beograd. Publ. Elektrotehn. Fak., Ser. Mat. 6 (1995), 48–49. (http://pefmath.etf.bg.ac.yu/) * [2] Feng Qi, Shi-Qin Zhang, Bai-Ni Guo: Sharpening and generalizations of Shafer’s inequality for the arc tangent function, Journal of Inequalities and Applications 2009 (2009). * [3] R. E. Shafer, E 1867, Amer. Math. Monthly 73 (1966), no. 3, 309. * [4] D. S. Mitrinović, Elementary Inequalities, Groningen, 1964.
arxiv-papers
2013-03-10T12:49:02
2024-09-04T02:49:43.786861
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jacopo D'Aurizio", "submitter": "Jacopo D'Aurizio", "url": "https://arxiv.org/abs/1304.0753" }
1304.0806
# $IFP$-intuitionistic fuzzy soft set theory and its applications Faruk Karaaslan [email protected] Naim Çağman [email protected] Şaban Yılmaz [email protected] Department of Mathematics, Faculty of Arts and Sciences, Gaziosmanpaşa University, 60250 Tokat, Turkey ###### Abstract In this work, we present definition of intuitionistic fuzzy parameterized $(IFP)$ intuitionistic fuzzy soft set and its operations. Then we define $IFP$-aggregation operator to form $IFP$-intuitionistic fuzzy soft-decision- making method which allows constructing more efficient decision processes. ###### keywords: Soft set, fuzzy set, intuitionistic fuzzy set, intuitionistic fuzzy soft set, intuitionistic fuzzy parameterized intuitionistic fuzz soft set, aggregation operator. ## 1 Introduction Problems in economy, engineering, environmental science and social science and many fields involve data that contain uncertainties. This problems may not be successfully modeled by existing methods in classical mathematics because of various types of uncertainties. There are some well known mathematical theories for dealing with uncertainties such as; fuzzy set theory [17], soft set theory [15], intuitionistic fuzzy set theory [1], fuzzy soft set theory [12] and so on. In 1999, Molodtsov [15] firstly introduced the soft set theory as a general mathematical tool for dealing with uncertainty and vagueness. Since then some authors studied on the operations of soft sets [2, 3, 14]. Many interesting results of soft set theory have been studied by embedding the ideas of fuzzy sets. Fuzzy Soft sets [5, 4, 9, 12, 16], intuitionistic fuzzy soft sets [10, 11, 13]. Firstly, fuzzy parameterized soft set and fuzzy parameterized fuzzy soft set and their operations are introduced Çag̃man et al. in [4, 5]. Intuitionistic fuzzy parameterized soft set is define by Çag̃man and Deli [7] and intuitionistic fuzzy parameterized fuzzy soft set and its operations are introduced by Çag̃man and Karaaslan [8]. In this paper, firstly we present preliminaries and then we introduce intuitionistic fuzzy parameterized intuitionistic fuzzy soft set and their properties. We also define $IFP$-aggregation operator to form $IFP-$intuitionistc fuzzy soft decision making method that allows constructing more efficient decision processes. We finally present examples which shows that the methods can be successfully applied to many problems that contain uncertainties. ## 2 Preliminary In this section, we present definitions and some results of soft set, fuzzy set, fuzzy soft set, intuitionistic fuzzy set and intuitionistic fuzzy soft set theory that can be found details [1, 3, 12, 5, 11, 14, 15, 17]. Throughout this subsection $U$ refers to an initial universe, $E$ is a set of parameters, $P(U)$ is the power set of $U$. ###### Definition 1 [3] Let $U$ be an initial universe, $P(U)$ be the power set of $U$, $E$ is the set of all parameter and $A\subseteq E$. Then, a soft set $F_{A}$ on the universe $U$ is defined by a function $f_{A}$ representing a mapping $f_{A}:E\rightarrow P(U)\textrm{ such that }f_{A}(x)=\emptyset\textrm{ if }x\notin A$ Here $f_{A}$ is called approximate function of soft set $F_{A}$, and the value $f_{A}(x)$ is a set called $x$-element of the soft set for all $x\in E$. It is worth nothing that the set $f_{A}(x)$ may be arbitrary. Some of them may be empty, some may have nonempty intersection. Thus, a soft set $F_{A}$ over $U$ can be represented by the set of ordered pairs $F_{A}=\\{(x,f_{A}):x\in E,f_{A}(x)\in P(U)\\}$ Note that the set of all soft sets over $U$ will be denoted by $S(U)$. ###### Definition 2 [17] Let $U$ be a universe. A fuzzy set $X$ over $U$ is a set defined by a function $\mu_{X}$ representing a mapping $\mu_{X}:U\rightarrow[0,1]$ Here, $\mu_{X}$ called membership function of $X$ and the value $\mu_{X}(u)$ is called the grade of membership of $u\in U$. The value represents the degree of $u$ belonging to fuzzy set $X$. Thus, a fuzzy set $X$ over $U$ can be represented as follows, $X=\\{(u,\mu_{X}(u)):u\in U,\mu_{X}(u)\in[0,1]\\}$ Note that the set of all the fuzzy sets over $U$ will be denoted by $F(U)$. ###### Definition 3 [1] An intuitionistic fuzzy set $(IFS)$ $X$ in U is defined as an object of the following form $X=\\{(x,\mu_{X}(u),\nu_{X}(u)):u\in U\\},$ where the functions $\mu_{X}:U\to[0,1]\textrm{ and }\nu_{X}:U\to[0,1]$ define the degree of membership and the degree of non-membership of the element $u\in U$, respectively, and for every $u\in U$, $0\leq\mu_{X}(u)+\nu_{X}(u)\leq 1.$ In addition for all $u\in U$, $U=\\{(u,1,0):u\in U\\}\,\,,\,\emptyset=\\{(u,0,1):u\in U\\}$ are intuitionistic fuzzy universal and intuitionistic fuzzy empty set, respectively. ###### Theorem 1 [1] Let $X$ and $Y$ be two intuitionistic fuzzy sets. Then, 1. i. $X\subseteq Y\Leftrightarrow\forall u\in U,\mu_{X}(u)\leq\mu_{Y}(u),\nu_{X}(u)\geq\nu_{Y}(u)$ 2. ii. $X\cap Y=\\{(u,min\\{\mu_{X}(u),\mu_{Y}(u)\\},max\\{\nu_{X}(u),\nu_{Y}(u)\\}):u\in U\\}$ 3. iii. $X\cup Y=\\{(u,max\\{\mu_{X}(u),\mu_{Y}(u)\\},min\\{\nu_{X}(u),\nu_{Y}(u)\\}):u\in U\\}.$ 4. iv. $X^{c}=\\{(u,\nu_{X}(u),\mu_{X}(u)):u\in U\\}.$ Note that the set of all the fuzzy sets over $U$ will be denoted by $\mathcal{IF}(U)$. ###### Definition 4 [6] Let $U$ be an initial universe, $\mathcal{IF}(U)$ be the set of all intuitionistic fuzzy sets over $U$, E be a set of all parameters and $A\subseteq E$. Then, an intuitionistic fuzzy soft set (IFS-set) $\gamma_{A}$ over U is a function from $E$ into $\mathcal{IF}(U)$. Where, the value $\gamma_{A}(x)$ is an intuitionistic fuzzy set over U. That is, $\gamma_{A}(x)=\\{(u,\overline{\gamma}_{A(x)}(u),\underline{\gamma}_{A(x)}(u)):x\in E,u\in U)\\}$, where $\overline{\gamma}_{A(x)}(u)$ and $\underline{\gamma}_{A(x)}(u)$ are the membership and non-membership degrees of $u$ to the parameter x, respectively. Note that, the set of all intuitionistic fuzzy soft sets over $U$ is denoted by $\mathcal{IFS}(U)$. ###### Definition 5 [6] Let $A,B\subseteq E$, $\gamma_{A}$ and $\gamma_{B}$ be two IFS-sets. Then, $\gamma_{A}$ is said to be an intuitionistic fuzzy soft subset of $\gamma_{B}$ if (1) $A\subseteq B$ and (2) $\gamma_{A}(x)$ is an intuitionistic fuzzy subset of $\gamma_{B}(x)$ $\forall x\in A$. This relationship is denoted by $\gamma_{A}\tilde{\subseteq}\gamma_{B}$. Similarly, $\gamma_{A}$ is said to be an intuitionistic fuzzy soft superset of $\gamma_{B}$, if $\gamma_{B}$ is an intuitionistic fuzzy soft subset of $\gamma_{A}$ and denoted by $\gamma_{A}\tilde{\supseteq}\gamma_{B}$. ###### Definition 6 [6] Let $\gamma_{A}$ and $\gamma_{B}$ be two intuitionistic fuzzy soft sets over U. Then, $\gamma_{A}$ and $\gamma_{B}$ are said to be intuitionistic fuzzy soft equal if and only if $\gamma_{A}$ is an intuitionistic fuzzy soft subset of $\gamma_{B}$ and $\gamma_{B}$ is an intuitionistic fuzzy soft subset of $\gamma_{A}$, and written by $\gamma_{A}$=$\gamma_{B}$. ###### Definition 7 [6] Let $\gamma_{A}$ be an IFS-set over $\mathcal{IF}(U)$. If $\gamma_{A}(x)=\emptyset$ for all $x\in E$, then $\gamma_{A}$ is called empty IFS-set and denoted by $\gamma_{\phi}$. ###### Definition 8 [6] Let $\gamma_{A}$ be an IFS-set over $\mathcal{IF}(U)$. If $\gamma_{A}(x)=\\{(u,1,0):\forall u\in U\\}$ for all $x\in A$, then $\gamma_{A}$ is called A-universal IFS-set and denoted by $\gamma_{\hat{A}}$. If A=E, then the A-universal IFS-set is called universal IFS-set and denoted by $\gamma_{\hat{E}}$. ###### Definition 9 [6] Let $\gamma_{A}$ and $\gamma_{B}$ be two IFS-sets over $\mathcal{IF}(U)$. Union of $\gamma_{A}$ and $\gamma_{B}$, denoted by $\gamma_{A}\tilde{\cup}\gamma_{B}$, and is defined by $\gamma_{A}\tilde{\cup}\gamma_{B}=\\{(x,\gamma_{A\tilde{\cup}B}(x)):x\in E\\}$ where $\gamma_{A\tilde{\cup}B}(x)=\\{(u,max\\{\overline{\gamma}_{A(x)}(u),\overline{\gamma}_{B(x)}(u)\\},min\\{\underline{\gamma}_{A(x)}(u),\underline{\gamma}_{B(x)}(u)\\}):u\in U\\}.$ ###### Definition 10 [6] Let $\gamma_{A}$ and $\gamma_{B}$ be two IFS-set over $\mathcal{IF}(U)$. Intersection of $\gamma_{A}$ and $\gamma_{B}$, denoted by $\gamma_{A}\tilde{\cap}\gamma_{B}$, and is defined by $\gamma_{A}\tilde{\cap}\gamma_{B}=\\{(x,\gamma_{A\tilde{\cap}B}(x)):x\in E\\}$ where $\gamma_{A\tilde{\cap}B}(x)=\\{(u,min\\{\overline{\gamma}_{A(x)}(u),\overline{\gamma}_{B(x)}(u)\\},max\\{\underline{\gamma}_{A(x)}(u),\underline{\gamma}_{B(x)}(u)\\}):u\in U\\}.$ ###### Definition 11 [6] Let $\gamma_{A}$ be an IFS-set over $\mathcal{IF}(U)$. Complement of $\gamma_{A}$, denoted by $\gamma_{A}^{c}$, and is defined by $\gamma_{A}^{c}=\\{(x,\gamma_{A^{c}}(x)):x\in E\\}$ where $\gamma_{A^{c}}(x)=\gamma_{A}^{c}(x)$ is the complement of intuitionistic fuzzy set $\gamma_{A}(x)$, defined by $\gamma_{A}^{c}(x)=\\{(u,\underline{\gamma}_{A(x)}(u),\overline{\gamma}_{A(x)}(u)):u\in U\\}$ for all $x\in E$ ###### Definition 12 [6]Let $\gamma_{A}$ and $\gamma_{B}$ be two IFS-set over $\mathcal{IF}(U)$. $\wedge-$product of $\gamma_{A}$ and $\gamma_{B}$, denoted by $\gamma_{A}\wedge\gamma_{B}$, and is defined by $\gamma_{A}\wedge\gamma_{B}=\\{((x,y),\gamma_{A\wedge B}(x,y)):(x,y)\in E\times E\\}$ where $\gamma_{A\wedge B}(x,y))=\\{(u,min(\mu_{\gamma_{A(x)}}(u),\mu_{\gamma_{B(x)}}(u))),max(\nu_{\gamma_{A(x)}}(u),\nu_{\gamma_{B(x)}}(u))):u\in U\\}$ for all $x,y\in E$ ###### Definition 13 [6]Let $\gamma_{A}$ and $\gamma_{B}$ be two IFS-set over $\mathcal{IF}(U)$. $\vee-$product of $\gamma_{A}$ and $\gamma_{B}$, denoted by $\gamma_{A}\vee\gamma_{B}$, and is defined by $\gamma_{A}\vee\gamma_{B}=\\{((x,y),\gamma_{A\vee B}(x,y)):(x,y)\in E\times E\\}$ where $\gamma_{A\vee B}(x,y))=\\{(u,max(\mu_{\gamma_{A(x)}}(u),\mu_{\gamma_{B(x)}}(u))),min(\nu_{\gamma_{A(x)}}(u),\nu_{\gamma_{B(x)}}(u))):u\in U\\}$ for all $x,y\in E$ ###### Definition 14 [5] Let $U$ be an initial universe, $E$ be the set of all parameters and $X$ be a fuzzy set over $E$ with the membership function $\mu_{X}:E\rightarrow[0,1]$ and $\gamma_{X}(x)$ be a fuzzy set over $U$ for all $x\in E$. Then, and $fpfs-$set $\Gamma_{X}$ over $U$ is a set defined by a function $\gamma_{X}(x)$ representing a mapping $\gamma_{X}:E\rightarrow F(U)\textrm{ such that }\gamma_{X}(x)=\emptyset\textrm{ if }\mu_{X}(x)=0$ Here, $\gamma_{X}$ is called fuzzy approximate function of ($fpfs$-set) $\Gamma_{X}$, and the value $\gamma_{X}(x)$ is a fuzzy set called $x-$element of the $fpfs-$set for all $x\in E$. Thus, an $fpfs-$set $\Gamma_{X}$ over $U$ can be represented by the set of ordered pairs $\Gamma_{X}=\\{(\mu_{X}(x)/x,\gamma_{X}(x)):x\in E,\gamma_{X}(x)\in F(U),\mu_{X}(x)\in[0,1]\\},$ It must be noted that the sets of all $fpfs$-sets over $U$ will be denoted by $FPFS(U)$. ###### Definition 15 [7] Let $U$ be an initial universe, $P(U)$ be the power set of $U$, $E$ is the set of all parameters and $X$ be a intuitionistic fuzzy set over E with the membership function $\mu_{X}:E\rightarrow[0,1]$ and non-membership function $\nu_{X}:E\rightarrow[0,1]$. Then, an $ifps-$set $F_{X}$ over $U$ is a set defined by a function $f_{X}$ representing a mapping $f_{X}:E\rightarrow P(U)\textrm{ such that }f_{X}(x)=\emptyset\textrm{ if }\mu_{x}=0,\nu_{x}=1$ Here, $f_{X}$ is called approximate function of the $ifps$-set $F_{X}$, and the value $f_{X}(x)$ is a set called $x-$element of $ifps$-set for all $x\in E$. Thus, $ifps-$set $F_{X}$ over $U$ can be represented by the set of ordered pairs $F_{X}=\\{((\mu_{X}(x),\nu_{X}(x))/x,f_{X}(x)):x\in E,f_{X}(x)\in P(U),\mu_{X}(x),\nu_{X}(x)\in[0,1]\\}$ ###### Definition 16 [8] Let $U$ be an initial universe, $P(U)$ be the power set of $U$, $E$ is the set of all parameters and $X$ be a intuitionistic fuzzy set over E with the membership function $\mu_{X}:E\rightarrow[0,1]$ and non-membership function $\nu_{X}:E\rightarrow[0,1]$. Then, an $ifps-$set $F_{X}$ over $U$ is a set defined by a function $f_{X}$ representing a mapping $f_{X}:E\rightarrow P(U)\textrm{ such that }f_{X}(x)=\emptyset\textrm{ if }\mu_{x}=0,\nu_{x}=1$ Here, $f_{X}$ is called approximate function of the $ifps$-set $F_{X}$, and the value $f_{X}(x)$ is a set called $x-$element of $ifps$-set for all $x\in E$. Thus, $ifps-$set $F_{X}$ over $U$ can be represented by the set of ordered pairs $F_{X}=\\{((\mu_{X}(x),\nu_{X}(x))/x,f_{X}(x)):x\in E,f_{X}(x)\in P(U),\mu_{X}(x),\nu_{X}(x)\in[0,1]\\}$ ## 3 $IFP-$intuitionistic fuzzy soft sets In this section, we define intuitionistic fuzzy parameterized intuitionistic fuzzy soft sets and their operations with examples. Throughout this work, we use $\Omega_{X},\Omega_{Y},\Omega_{Z},...,$etc. for $\Omega$-sets and $\omega_{X},\omega_{Y},\omega_{Z},...,$etc. for their intuitionistic fuzzy approximate function, respectively. ###### Definition 17 Let $U$ be an initial universe, $E$ be the set of all parameters and $X$ be an intuitionistic fuzzy set over $E$ with the membership function $\mu_{X}:E\rightarrow[0,1]$ and non-membership function $\nu_{X}:E\rightarrow[0,1]$ and $\omega_{X}$ is an intuitionistic fuzzy set over $U$ for all $x\in E$. Then, an $\Omega$-set $\Omega_{X}$ over $\mathcal{IF}(U)$ is a set defined by a function $\omega_{X}(x)$ representing a mapping $\omega_{X}:E\rightarrow\mathcal{IF}(U)\textrm{ such that }\omega_{X}(x)=\emptyset\textrm{ if }x\not\in X$ Here, $\omega_{X}$ is called intuitionistic fuzzy approximation of $\Omega$-set $\Omega_{X}$. $\omega_{X}(x)$ is an intuitionistic fuzzy set called $x$-element of the $\Omega$-set for all $x\in E$. Thus, an $\Omega$-set $\Omega_{X}$ over $U$ can be represented by the set of ordered pairs $\Omega_{X}=\\{((\mu_{X}(x),\nu_{X}(x))/x,\omega_{X}(x)):x\in E,u\in U,\omega_{X}(x)\in\mathcal{IF}(U)\\}$ Note that, If $\mu_{X}(x)=0,\nu_{X}(x)=1$ and $\omega_{X}(x)=\emptyset$, we don’t display such elements in the set. Also, it must be noted that the sets of all $\Omega$-sets over $\mathcal{IF}(U)$ will be denoted by $\Omega(U)$. ###### Example 1 Assume that $U=\\{u_{1},u_{2}\,u_{3},u_{4},u_{5}\\}$ is an universal set and $E=\\{x_{1},x_{2},x_{3},x_{4},x_{5}\\}$ a set of parameters. If $X=\\{(0.5,0.2)/x_{1},(0.6,0.3)/x_{3},(1.0,0.0)/x_{4}\\}$ $\omega_{X}(x_{1})=\\{(0.7,0.2)/u_{1},(0.5,0.4)/u_{4}\\},\\\ \omega_{X}(x_{2})=\emptyset,\\\ \omega_{X}(x_{3})=\\{(0.4,0.3)/u_{2},(0.8,0.1)/u_{3},(0.6,0.3)/u_{5}\\}$ $\omega_{X}(x_{4})=U$, then the $\Omega_{X}$ is written as follow $\begin{array}[]{rcl}\Omega_{X}&=&\\{((0.5,0.2)/x_{1},\\{(0.7,0.2)/u_{1},(0.5,0.4)/u_{4}\\}),\\\ &&((0.6,0.3)/x_{3},\\{(0.4,0.3)/u_{2},(0.8,0.1)/u_{3},(0.6,0.3)/u_{5}\\}),\\\ &&((1.0,0.0)/x_{4},U)\\}\end{array}$ ###### Definition 18 Let $\Omega_{X}\in\Omega$(U). If $\omega_{X}(x)=\emptyset$ for all $x\in E$, then $\Omega_{X}$ is called an $X$-empty $\Omega$-set, denoted by $\Omega_{\emptyset_{X}}$. If $X=\emptyset,$ then the $X-$empty $\Omega$-set $(\Omega_{\emptyset_{X}})$ is called empty $\Omega$-set, denoted by $\Omega_{\emptyset}$. Here, $\emptyset$ mean that intuitionistic fuzzy empty set. ###### Definition 19 Let $\Omega_{X}\in\Omega$(U). If $\mu_{X}(x)=1$, $\nu_{X}(x)=0$ and $\omega_{X}(x)=U$ for all $x\in X$, then $\Omega_{X}$ is called X-universal $\Omega$-set, denoted by $\Omega_{\tilde{X}}$. If $X$ is equal to intuitionistic fuzzy universal set over $E$, then the $X$-universal $\Omega$-set is called universal $\Omega$-set, denoted by $\Omega_{\tilde{E}}$. Here, $U$ mean that intuitionistic fuzzy universal set. ###### Example 2 Let $U=\\{u_{1},u_{2},u_{3},u_{4}\\}$ be a universal set and $E=\\{x_{1},x_{2},x_{3},x_{4}\\}$ be a set of parameters. If $\begin{array}[]{rcl}X&=&\\{(0.2,0,5)/x_{2},(0.5,0,3)/x_{3},(1.0,0)/x_{4}\\}\textrm{ and }\\\ \omega_{X}(x_{1})&=&\emptyset,\\\ \omega_{X}(x_{2})&=&\\{(0.5,0.4)/u_{1},(0.7,0.3)/u_{5}\\},\\\ \omega_{X}(x_{3})&=&\emptyset,\\\ \omega_{X}(x_{4})&=&U,\end{array}$ then the $\Omega$-set $\Omega_{X}$ is written by $\Omega_{X}=\\{((0.2,0,5)/x_{2},\\{(0.5,0.4)/u_{1},(0,1.0)/u_{2},(0,1.0)/u_{3},\\\ (0.7,0.3)/u_{4}\\}),((0,5.0,3)/x_{3},\emptyset),((1.0,0)/x_{4},U)\\}$. If $Y=\\{(1.0,0)/x_{1},(0.7,0.2)/x_{4}\\}$ and $\omega_{Y}(x_{1})=\emptyset$, $\omega_{Y}(x_{4})=\emptyset$ then the $\Omega$-set $\Omega_{Y}$ is an $Y$-empty $\Omega$-set, i.e., $\Omega_{Y}=\Omega_{\Phi_{Y}}$. If $Z=\\{(1.0,0)/x_{1},(1.0,0)/x_{2}\\}$, $\omega_{Z}(x_{1})=U$, and $\omega_{Z}(x_{2})=U$, then the $\Omega$-set $\Omega_{Z}$ is $Z$-universal $\Omega$-set, i.e., $\Omega_{Z}=\Omega_{\tilde{Z}}$. If $X=E$ and $\omega_{X}(x_{i})=U$ for all $x_{i}\in E$, where $i=1,2,3,4$, then the $\Omega$-set $\Omega_{X}$ is a universal $\Omega$-set, i.e., $\Omega_{X}=\Omega_{\tilde{E}}$. ###### Definition 20 Let $\Omega_{X},\Omega_{Y}\in\Omega$(U). Then, $\Omega_{X}$ is an $\Omega$-subset of $\Omega_{Y}$, denoted by $\Omega_{X}\widetilde{\subseteq}\Omega_{Y}$, if $\mu_{X}(x)\leq\mu_{Y}(x),\nu_{X}(x)\geq\nu_{X}(x)\textrm{ and }\omega_{X}(x)\subseteq\omega_{Y}(x)$ for all $x\in E$. ###### Proposition 1 Let $\Omega_{X},\Omega_{Y}\in\Omega$(U). Then, (i) $\Omega_{X}\widetilde{\subseteq}\Omega_{\tilde{E}}$ (ii) $\Omega_{\Phi_{X}}\widetilde{\subseteq}\Omega_{X}$ (iii) $\Omega_{\Phi}\widetilde{\subseteq}\Omega_{X}$ (iv) $\Omega_{X}\widetilde{\subseteq}\Omega_{X}$ (v) $\Omega_{X}\widetilde{\subseteq}\Omega_{Y}$ and $\Omega_{Y}\widetilde{\subseteq}\Omega_{Z}\Rightarrow\Omega_{X}\widetilde{\subseteq}\Omega_{Z}$ ###### Proof 1 They can be proved easily by using the fuzzy approximate and membership functions of the $\Omega$-sets. ###### Definition 21 Let $\Omega_{X},\Omega_{Y}\in\Omega(U)$. Then, $\Omega_{X}$ and $\Omega_{Y}$ are $\Omega-$equal, written as $\Omega_{X}=\Omega_{Y}$, if and only if $\mu_{X}(x)=\mu_{Y}(x)$, $\nu_{X}(x)=\nu_{Y}(x)$ and $\omega_{X}(x)=\omega_{Y}(x)$ for all $x\in E$. ###### Proposition 2 Let $\Omega_{X},\Omega_{Y},\Omega_{Z}\in\Omega$(U). Then, (i) $\Omega_{X}=\Omega_{Y}$ and $\Omega_{Y}=\Omega_{Z}\Leftrightarrow\Omega_{X}=\Omega_{Z}$ (ii) $\Omega_{X}\widetilde{\subseteq}\Omega_{Y}$ and $\Omega_{Y}\widetilde{\subseteq}\Omega_{X}\Leftrightarrow\Omega_{X}=\Omega_{Y}$ ###### Definition 22 Let $\Omega_{X}\in\Omega$(U). Then the complement of $\Omega_{X}$, denoted by $\Omega_{X}^{\tilde{c}}$, is defined by $\Omega^{\tilde{c}}_{X}=\\{((\nu_{X}(x),\mu_{X}(x))/x,\omega^{c}_{X}(x)):x\in E,\omega^{c}_{X}(x)\in\mathcal{IF}(U)\\}$ where $\omega_{X}^{c}(x)$ is complement of the intuitionistic fuzzy set $\omega_{X}(x)$, that is, $\omega^{c}_{X}(x)=\omega_{X^{c}}(x)$ for every $x\in E$. ###### Proposition 3 Let $\Omega_{X}\in\Omega$(U). Then, (i) $(\Omega_{X}^{\tilde{c}})^{\tilde{c}}=\Omega_{X}$ (ii) $\Omega_{\Phi}^{\tilde{c}}=\Omega_{\tilde{E}}$ ###### Proof 2 By using the intuitionistic fuzzy approximate, membership functions and nonmembership functions of the $\Omega$-sets, the proof is straightforward. ###### Definition 23 Let $\Omega_{X},\Omega_{Y}\in\Omega(U)$. Then, union of $\Omega_{X}$ and $\Omega_{Y}$, denoted by $\Omega_{X}\widetilde{\cup}\Omega_{Y}$, is defined by $\Omega_{X}\cup\Omega_{Y}=\\{((\mu_{X\widetilde{\cup}Y}(x),\nu_{X\widetilde{\cap}Y}(x))/x,\omega_{X\widetilde{\cup}Y}(x)):x\in E\\}.$ Here, $\mu_{X\widetilde{\cup}Y}(x)=\max\\{\mu_{X}(x),\mu_{Y}(x)\\},\nu_{X\widetilde{\cup}Y}(x)=\min\\{\nu_{X}(x),\nu_{Y}(x)\\}\textrm{ and }$ $\omega_{X\widetilde{\cup}Y}(x)=\omega_{X}(x)\cup\omega_{Y}(x),\textrm{for all }x\in E.$ Note that here $\omega_{X}(x)$ and $\omega_{Y}(x)$ are intuitionistic fuzzy sets. Thus, in operations of between $\omega_{X}(x)$ and $\omega_{Y}(x)$, we use the operations of intuitionistic fuzzy sets. ###### Proposition 4 Let $\Omega_{X},\Omega_{Y},\Omega_{Z}\in\Omega(U)$. Then, (i) $\Omega_{X}\widetilde{\cup}\Omega_{X}=\Omega_{X}$ (ii) $\Omega_{X}\widetilde{\cup}\Omega_{\Phi}=\Omega_{X}$ (iii) $\Omega_{X}\widetilde{\cup}\Omega_{\tilde{E}}=\Omega_{\tilde{E}}$ (iv) $\Omega_{X}\widetilde{\cup}\Omega_{Y}=\Omega_{Y}\widetilde{\cup}\Omega_{X}$ (v) $(\Omega_{X}\widetilde{\cup}\Omega_{Y})\widetilde{\cup}\Omega_{Z}=\Omega_{X}\widetilde{\cup}(\Omega_{Y}\widetilde{\cup}\Omega_{Z})$ ###### Proof 3 The proofs can be easily obtained from Definition 23. ###### Definition 24 Let $\Omega_{X},\Omega_{Y}\in\Omega(U)$. Then, intersection of $\Omega_{X}$ and $\Omega_{Y}$, denoted by $\Omega_{X}\widetilde{\cap}\Omega_{Y}$, is defined by $\Omega_{X}\cap\Omega_{Y}=\\{((\mu_{X\widetilde{\cap}Y}(x),\nu_{X\widetilde{\cup}Y}(x))/x,\omega_{X\widetilde{\cap}Y}(x)):x\in E\\}.$ Here, $\mu_{X\widetilde{\cap}Y}(x)=\min\\{\mu_{X}(x),\mu_{Y}(x)\\},\nu_{X\widetilde{\cap}Y}(x)=\max\\{\nu_{X}(x),\nu_{Y}(x)\\}$ and $\omega_{X\widetilde{\cap}Y}(x)=\omega_{X}(x)\cap\omega_{Y}(x)\,\textrm{for all }x\in E.$ Note that here $\omega_{X}(x)$ and $\omega_{Y}(x)$ are intuitionistic fuzzy sets. Thus, in operations of between $\omega_{X}(x)$ and $\omega_{Y}(x)$, we use the operations of intuitionistic fuzzy sets. ###### Proposition 5 Let $\Omega_{X},\Omega_{Y},\Omega_{Z}\in\Omega(U)$. Then, (i) $\Omega_{X}\widetilde{\cap}\Omega_{X}=\Omega_{X}$ (ii) $\Omega_{X}\widetilde{\cap}\Omega_{\Phi}=\Omega_{\Phi}$ (iii) $\Omega_{X}\widetilde{\cap}\Omega_{\tilde{E}}=\Omega_{X}$ (iv) $\Omega_{X}\widetilde{\cap}\Omega_{Y}=\Omega_{Y}\widetilde{\cap}\Omega_{X}$ (v) $(\Omega_{X}\widetilde{\cap}\Omega_{Y})\widetilde{\cap}\Omega_{Z}=\Omega_{X}\widetilde{\cap}(\Omega_{Y}\widetilde{\cap}\Omega_{Z})$ ###### Proof 4 The proofs can be easily obtained from Definition 24. ###### Remark 1 Let $\Omega_{X}\in\Omega(U)$. If $\Omega_{X}\neq\Omega_{\Phi}$ or $\Omega_{X}\neq\Omega_{\tilde{E}}$, then $\Omega_{X}\widetilde{\cup}\Omega_{X}^{\tilde{c}}\neq\Omega_{\tilde{E}}$ and $\Omega_{X}\widetilde{\cap}\Omega_{X}^{\tilde{c}}\neq\Omega_{\Phi}$. ###### Proposition 6 Let $\Omega_{X},\Omega_{Y}\in\Omega(U)$. Then De Morgan’s laws are valid (i) $(\Omega_{X}\widetilde{\cup}\Omega_{Y})^{\tilde{c}}=\Omega_{X}^{\tilde{c}}\widetilde{\cap}\Omega_{Y}^{\tilde{c}}$ (ii) $(\Omega_{X}\widetilde{\cap}\Omega_{Y})^{\tilde{c}}=\Omega_{X}^{\tilde{c}}\widetilde{\cup}\Omega_{Y}^{\tilde{c}}$ ###### Proof 5 Firstly, for all $x\in E$, $\begin{array}[]{lll}i.\omega_{(X\widetilde{\cup}Y)^{\tilde{c}}}(x)&=&\omega_{X\widetilde{\cup}Y}^{c}(x)\\\ &=&(\omega_{X}(x)\cup\omega_{Y}(x))^{c}\\\ &=&(\omega_{X}(x))^{c}\cap(\omega_{Y}(x))^{c}\\\ &=&\omega^{c}_{X}(x)\cap\omega^{c}_{Y}(x)\\\ &=&\omega_{X^{\tilde{c}}}(x)\cap\omega_{Y^{\tilde{c}}}(x)\\\ &=&\omega_{X^{\tilde{c}}\widetilde{\cap}Y^{\tilde{c}}}(x).\end{array}$ and $\begin{array}[]{rcl}\Omega_{X}\widetilde{\cup}\Omega_{Y}&=&\\{(\max\\{\mu_{X}(x),\mu_{Y}(x)\\},\min\\{\nu_{X}(x),\nu_{Y}(x)))/x,\omega_{X\tilde{\cup}Y}(x)\\\ &&:x\in E\\}\\\ (\Omega_{X}\widetilde{\cup}\Omega_{Y})^{\tilde{c}}&=&\\{((\min\\{\nu_{X}(x),\nu_{Y}(x)\\},\max\\{\mu_{X}(x),\mu_{Y}(x)\\})/x,\omega_{(X\tilde{\cup}Y)^{c}}(x)):\\\ &&x\in E\\}\\\ &=&\\{((\min\\{\nu_{X}(x),\nu_{Y}(x)\\},\max\\{\mu_{X}(x),\mu_{Y}(x)\\})/x,\omega_{X^{c}\tilde{\cap}Y^{c}}(x)):\\\ &&x\in E\\}\\\ &=&\\{((\nu_{X}(x),\mu_{X}(x))/x,\omega_{X^{c}}(x)):x\in E\\}\\\ &\cap&\\{((\nu_{Y}(x),\mu_{Y}(x)))/x,\omega_{Y^{c}}(x)):x\in E\\}\\\ &=&\Omega_{X}^{\tilde{c}}\widetilde{\cap}\Omega_{Y}^{\tilde{c}}\end{array}$ The proof of _ii._ can be made similarly. ###### Proposition 7 Let $\Omega_{X},\Omega_{Y},\Omega_{Z}\in\Omega(U)$. Then, (i) $\Omega_{X}\widetilde{\cup}(\Omega_{Y}\widetilde{\cap}\Omega_{Z})=(\Omega_{X}\widetilde{\cup}\Omega_{Y})\widetilde{\cap}(\Omega_{X}\widetilde{\cup}\Omega_{Z})$ (ii) $\Omega_{X}\widetilde{\cap}(\Omega_{Y}\widetilde{\cup}\Omega_{Z})=(\Omega_{X}\widetilde{\cap}\Omega_{Y})\widetilde{\cup}(\Omega_{X}\widetilde{\cap}\Omega_{Z})$ ###### Proof 6 For all $x\in E$, $\begin{array}[]{lll}i.\,\,\,\mu_{X\widetilde{\cup}(Y\widetilde{\cap}Z)}(x)&=&\max\\{\mu_{X}(x),\mu_{Y\widetilde{\cap}Z}(x)\\}\\\ &=&\max\\{\mu_{X}(x),\min\\{\mu_{Y}(x),\mu_{Z}(x)\\}\\}\\\ &=&\min\\{\max\\{\mu_{X}(x),\mu_{Y}(x)\\},\max\\{\mu_{X}(x),\mu_{Z}(x)\\}\\}\\\ &=&\min\\{\mu_{X\widetilde{\cup}Y}(x),\mu_{X\widetilde{\cup}Z}(x)\\}\\\ &=&\mu_{(X\widetilde{\cup}Y)\widetilde{\cap}(X\widetilde{\cup}Z)}(x)\\\ \textrm{ and }\\\ \nu_{X\widetilde{\cup}(Y\widetilde{\cap}Z)}(x)&=&\min\\{\nu_{X}(x),\nu_{Y\widetilde{\cap}Z}(x)\\}\\\ &=&\min\\{\nu_{X}(x),\max\\{\nu_{Y}(x),\nu_{Z}(x)\\}\\}\\\ &=&\min\\{\max\\{\nu_{X}(x),\nu_{Y}(x)\\},\max\\{\nu_{X}(x),\nu_{Z}(x)\\}\\}\\\ &=&\min\\{\nu_{X\widetilde{\cup}Y}(x),\nu_{X\widetilde{\cup}Z}(x)\\}\\\ &=&\nu_{(X\widetilde{\cup}Y)\widetilde{\cap}(X\widetilde{\cup}Z)}(x)\end{array}$ $\begin{array}[]{lll}\omega_{X\widetilde{\cup}(Y\widetilde{\cap}Z)}(x)&=&\omega_{X}(x)\cup\omega_{Y\widetilde{\cap}Z}(x)\\\ &=&\omega_{X}(x)\cup(\omega_{Y}(x)\cap\omega_{Z}(x))\\\ &=&(\omega_{X}(x)\cup\omega_{Y}(x))\cap(\omega_{X}(x)\cup\omega_{Z}(x))\\\ &=&\omega_{X\widetilde{\cup}Y}(x)\cap\omega_{X\widetilde{\cup}Z}(x)\\\ &=&\omega_{(X\widetilde{\cup}Y)\widetilde{\cap}(X\widetilde{\cup}Z)}(x)\end{array}$ The proof of _ii._ can be made in a similar way. ## 4 Decision making method The approximate function of an $\Omega$-set is intuitionistic fuzzy set. The $\Omega_{agg}$ on the intuitionistic fuzzy sets is an operation by which several approximate functions of an $\Omega$-set are combined to produce a single intuitionistic fuzzy set that is the aggregate intuitionistic fuzzy set of the $\Omega$-set. Once an aggregate intuitionistic fuzzy set has been arrived at, it may be necessary to choose the best single crisp alternative from this set. Therefore, we can construct a decision-making method by the following algorithm. _Step 1._ Construct an $\Omega$-set $\Omega_{X}$ over $U$, _Step 2._ Find the aggregate intuitionistic fuzzy set $\Omega_{X}^{*}$ of $\Omega_{X}$, _Step 3._ Find $max(u)=max\\{\mu_{\Omega_{X}^{*}}(u):u\in U\\}$ and $min(v)=min\\{\nu_{\Omega_{X}^{*}}(v):v\in U\\}$ _Step 4._ Find $\alpha\in[0,1]$ such that $(max(u),\alpha)/u\in\Omega^{*}_{X}$ and $\beta\in[0,1]$ such that $(\beta,min(v))/v\in\Omega^{*}_{X}$ _Step 5._ Find $\frac{max(u)}{max(u)+\alpha}=\alpha^{\prime}$ and $\frac{\beta}{min(v)+\beta}=\beta^{\prime}$ _Step 6._ Opportune element of $U$ is denoted by $Opp(u)$ and it is chosen as follow $Opp(u)$=$\left\\{\begin{array}[]{c}u,if\,\,\alpha^{\prime}>\beta^{\prime}\\\ v,if\,\,\beta^{\prime}<\alpha^{\prime}\end{array}\right.$ ###### Example 3 In this example, we present an application for the $\Omega$-decision-making method. Let us assume that a company wants to fill a position. There are five candidates who form the set of alternatives, $U=\\{u_{1},u_{2},u_{3},u_{4},u_{5}\\}$. The choosing committee consider a set of parameters, $E=\\{x_{1},x_{2},x_{3},x_{4}\\}$. For $i=1,2,3,4,5$, the parameters $x_{i}$ stand for ”experience”, ”computer knowledge”, ”young age” and ”good speaking”, respectively. After a serious discussion each candidate is evaluated from point of view of the goals and the constraint according to a chosen subset $X=\\{(0.7,0.2)/x_{2},(0.8,0,2)/x_{3},(0.6,0.3)/x_{4}\\}$ of $E$. Finally, the committee constructs the following $\Omega$-set over $U$. Step 1: Let the constructed $\Omega$-set, $\Omega_{X}$, be as follows, $\begin{array}[]{rl}\Omega_{X}=&\bigg{\\{}(0.7,0.2)/x_{2},\\{(0.4,0.3)/u_{1},(0.7,0.3)/u_{2},(0.6,0.2)/u_{3},(0.1,0.5)/u_{4},\\\ &(0.9,0.1)/u_{5}\\}),((0.8,0.2)/x_{3},\\{0.8,0.1)/u_{1},(0.8,0.2)/u_{2},(0.5,0.3)/u_{3},\\\ &(0.7,0.3)/u_{4}\\}),((0.6,0.3)/x_{4},\\{(0.5,0.5)/u_{1},(0.6,0.1)/u_{3},(0.3,0,6)/u_{5}\\})\bigg{\\}}\\\ \end{array}$ Step 2: The aggregate intuitionistic fuzzy set can be found as, $\begin{array}[]{rcl}\Omega_{X}^{*}&=&\\{(0.318,0.057)/u_{1},(0.248,0.100)/u_{2},(0.295,0.033)/u_{3},(0.158,0.115)/u_{4},\\\ &&(0.203,0.100)/u_{5}\\}\end{array}$ Step 3:$max(u)=0.318$ and $min(v)=0.033$ Step 4: $(0.318,0.057)/u_{1}\in\Omega_{X}^{*}$ and $(0.295,0.033)/u_{3}\in\Omega_{X}^{*}$ Step 5: $\alpha^{\prime}=\frac{0.318}{0.318+0.057}=0.848$ and $\beta^{\prime}=\frac{0.295}{0.295+0.033}=0.899$ Step 6:Since $\alpha^{\prime}<\beta^{\prime}$, $Opp(u)=u_{3}$. Note that, although membership degree of $u_{1}$ is bigger than $u_{3}$, opportune element of $U$ is $u_{3}$. This example show how the effect on decision making of non-membership degrees of elements. ## 5 Conclusion In this paper, firstly we have defined $IFP$-intuitionistic fuzzy soft sets and their operations. Then we have presented a decision making methods on the $IFP$-intuitionistic fuzzy soft set theory. Finally, we have provided an example that demonstrating that this method can successfully work. It can be applied to problems of many fields that contain uncertainty. ## References * [1] Atanassov K (1986) Intuitionistic fuzzy sets. Fuzzy Set Syst 20:87-96 * [2] M.I. Ali, F. Feng, X. Liu, W.K. Min and M. Shabir, On some new operations in soft set theory, Comput. Math. Appl. 57 (2009) 1547-1553. * [3] N. C̣ağman , S. Enginoğlu (2010) Soft set theory and uni-int decision making. Eur J Oper Res 207:848-855 * [4] ̣Cağman N, Enginoğlu S, C̣ıtak F (2011) Fuzzy Soft Set Theory and Its Applications. Iran J Fuzzy Syst 8(3):137-147 * [5] N. Çağman, F C̣ıtak , S. Enginoğlu, Fuzzy parameterized fuzzy soft set theory and its applications, Turkish Journal of Fuzzy System 1/1 (2010) 21-35. * [6] N. Çağman, S. Karataş, Intuitionistic fuzzy soft set theory and its decision making, Journal of Intelligent and Fuzzy Systems DOI:10.3233/IFS-2012-0601. * [7] N. Çağman, I.Deli (2012) Intuitionistic fuzzy parametrized soft set theory and its decision making, Submitted. * [8] N. Çağman, F.Karaaslan (2012) $IFP-$fuzzy soft set theory and its applications, Submitted. * [9] Feng F, Li C, Davvaz B, Ali MI (2010) Soft sets combined with fuzzy sets and rough sets: a tentative approach. Soft Comput 14(9):899-911 * [10] Jiang Y, Tang Y, Chen Q, Liu H, Tang J (2010) Interval-valued intuitionistic fuzzy soft sets and their properties. Comput Math Appl 60(3):906-918 * [11] Jiang Y, Tang Y, Chen Q (2011) An adjustable approach to intuitionistic fuzzy soft sets based decision making. Appl Math Model 35:824-836 * [12] Maji PK, Biswas R, Roy AR (2001) Fuzzy Soft Sets. J Fuzzy Math 9(3):589-602 * [13] Maji PK, Biswas R, Roy AR (2001) Intuitionistic fuzzy soft sets. J Fuzzy Math 9(3):677-692 * [14] P.K. Maji, R. Biswas and A.R. Roy, Soft set theory, Comput. Math. Appl. 45 (2003) 555-562. * [15] D.A. Molodtsov, Soft set theory-first results, Comput. Math. Appl. 37 (1999) 19-31. * [16] Majumdar P, Samanta SK (2010) Generalised fuzzy soft sets. Comput Math Appl 59:1425-1432 * [17] Zadeh LA (1965) Fuzzy Sets. Inform Control 8:338-353
arxiv-papers
2013-04-02T22:10:00
2024-09-04T02:49:43.794294
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Faruk Karaaslan, Naim Cagman, Saban Yilmaz", "submitter": "Faruk Karaaslan", "url": "https://arxiv.org/abs/1304.0806" }
1304.0809
[to be supplied] DRAFT New Equations for Neutral Terms Guillaume Allais and Conor McBride University of Strathclyde {guillaume.allais, conor.mcbride}@strath.ac.uk Pierre Boutillier PPS - Paris Diderot [email protected] # New Equations for Neutral Terms A Sound and Complete Decision Procedure, Formalized (2013) ###### Abstract The definitional equality of an intensional type theory is its test of type compatibility. Today’s systems rely on ordinary evaluation semantics to compare expressions in types, frustrating users with type errors arising when evaluation fails to identify two ‘obviously’ equal terms. If only the machine could decide a richer theory! We propose a way to decide theories which supplement evaluation with ‘$\nu$-rules’, rearranging the neutral parts of normal forms, and report a successful initial experiment. We study a simple $\lambda$-calculus with primitive fold, map and append operations on lists and develop in Agda a sound and complete decision procedure for an equational theory enriched with monoid, functor and fusion laws. ###### keywords: Normalization by Evaluation, Logical Relations, Simply-Typed Lambda Calculus, Map Fusion ††conference: ICFP ’13 September 25–27, 2013, Boston ## 1 Introduction The programmer working in intensional type theory is no stranger to ‘obviously true’ equations she wishes held _definitionally_ for her program to typecheck without having to chase down ill-typed terms and brutally coerce them. In this article, we present one way to relax definitional equality, thus accommodating some of her longings. We distinguish three types of fundamental relations between terms. The first denotes computational rules: it is untyped, _oriented_ and denoted by $\leadsto$ in its one step version or $\leadsto^{\star}$ when the reflexive transitive congruence closure is considered. In Table 1, we introduce a few such rules which correspond to the equations the programmer writes to define functions. They are referred to as $\delta$ (for _definitions_) and $\iota$ (for pattern-matching on _inductive_ data) rules and hold computationally just like the more common $\beta$-rule. map : (a $\rightarrow$ b) $\rightarrow$ list a $\rightarrow$ list bmap f [] $\leadsto$ []map f (x :: xs) $\leadsto$ f x :: map f xs(++) : list a $\rightarrow$ list a $\rightarrow$ list a[] ++ ys $\leadsto$ ysx :: xs ++ ys $\leadsto$ x :: (xs ++ ys)fold : (a $\rightarrow$ b $\rightarrow$ b) $\rightarrow$ b $\rightarrow$ list a $\rightarrow$ bfold c n [] $\leadsto$ nfold c n (x :: xs) $\leadsto$ c x (fold c n xs) Table 1: $\delta\iota$-rules - computational The second is the judgmental equality ($\equiv$): it is typed, tractable for a machine to decide and typically includes $\eta$-rules for negative types therefore internalizing some kind of _extensionality_. Table 2 presents such rules, explaining that some types have unique constructors which the programmer can demand. They are well supported in e.g. Epigram Chapman et al. [2005] and Agda Norell [2008] both for functions and records but still lacking for records in Coq INRIA . $\Gamma\ \vdash$ f $\equiv$ $\lambda$ x. f x : a $\to$ b$\Gamma\ \vdash$ p $\equiv$ ($\operatorname{\pi_{1}}$ p , $\operatorname{\pi_{2}}$ p) : a * b$\Gamma\ \vdash$ u $\equiv$ () : 1 Table 2: $\eta$-rules - canonicity The third is the propositional equality ($=$): this lets us state and give evidence for equations on open terms which may not be identified judgmentally. Table 3 shows a kit for building computationally inert _neutral_ terms growing layers of thwarted progress around a variable which we dub the ‘nut’, together with some equations on neutral terms which held only propositionally – until now. This paper shows how to extend the judgmental equality with these new ‘$\nu$-rules’. We gain, for example, that map swap . map swap $\equiv$ id, where swap swaps the elements of a pair. x a $\operatorname{\pi_{1}}$ $\operatorname{\pi_{2}}$ ++ ys map f fold n c xs ++ [] | = | xs ---|---|--- (xs ++ ys) ++ zs | = | xs ++ (ys ++ zs) map id xs | = | xs map f (map g xs) | = | map (f . g) xs map f (xs ++ ys) | = | map f xs ++ map f ys fold c n (map f xs) | = | fold (c . f) n xs fold c n (xs ++ ys) | = | fold c (fold c n ys) xs Table 3: $\nu$-rules A $\nu$-rule is an equation between neutral terms with the same nut which holds just by structural induction on the nut, with $\beta\delta\iota$ reducing subgoals to inductive hypotheses – the classic proof pattern of Boyer and Moore Boyer and Moore [1975]. Consequently, we need only use $\nu$-rules to standardize neutral terms after ordinary evaluation stops. This separability makes implementation easy, but the proof of its completeness correspondingly difficult. Here, we report a successful experiment in formalizing a modified normalization by evaluation proof for simply-typed $\lambda$-calculus with list primitives and the $\nu$-rules above. #### Contents We define the terms of the theory and deliver a sound and complete normalization algorithm in Sections 2 to 5. We then explain how this promising experiment can be scaled up to type theory (Section 6) thus suggesting that other frustrating equations of a similar character may soon come within our grasp (Section 7). ## 2 Our Experimental Setting In a dependently-typed setting, one has to deal with issues unrelated to the matter at hand: Danielsson’s formalization of a Type Theory as an inductive- recursive family uses a non strictly positive datatype Danielsson [2007], Abel et al. Abel et al. [2007a] resort to recursive domain equations together with logical relations proving them meaningful, McBride’s proposition McBride [2010] is only able to steal the judgmental equality of the implementation language and Chapman’s big step formulation is not proven terminating Chapman [2009]. We propose a preliminary experiment on a calculus for which the formalization in Agda is tractable: we are interested in the modifications to be made to an existing implementation in order to get a complete procedure for the extended equational theory. We developed the algorithm during Boutillier’s internship at Strathclyde Boutillier [2009]; Allais completed the formalized meta-theory. #### Types The set of types is parametrized by a finite set of base types ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{1}},\dots,{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{n}}$ it can build upon. These unanalysed base types give us a simple way to model expressions exhibiting some parametric polymorphism. $\sigma,\tau,\dots\operatorname{::=~{}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}\mid{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}\mid\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}\tau\mid\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau\mid{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$ ###### Remark 2.1. In the Agda implementation this indexing by a finite set of base types is modelled by defining a nat-indexed family ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{type}}_{n}$ with a constructor ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}}$ taking a natural number $k$ bounded by $n$ (an element of ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Fin}}~{}n$) to refer to the $k^{th}$ base type. #### Terms Terms follow the grammar presented below and the typing rules described in Figure 1 where contexts are just snoc lists of variable names together with their type. $\displaystyle t,u,\dots$ $\displaystyle\operatorname{::=~{}}x\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.t\mid t\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}u\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}}\mid t\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}u\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{1}}}}}t\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}t\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$ $\displaystyle\mid hd\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}tl\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(f,xs)\mid xs\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}ys\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`fold}}}(c,n,xs)$ $\displaystyle\displaystyle{\hbox{}\over\hbox{\hskip 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69.41911pt\vbox{\vbox{}\hbox{\hskip-69.4191pt\hbox{\hbox{$\displaystyle\displaystyle\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{pop!}}}\mathit{pr}\colon{\Gamma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\cdot}~{}(x\colon\sigma)}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\subseteq}~{}{\Delta~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\cdot}~{}(x\colon\sigma)}$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 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23.00627pt\vbox{\hbox{\hskip-23.00626pt\hbox{\hbox{$\displaystyle\displaystyle(x\colon\sigma)\in\Gamma$}}}\vbox{}}}\over\hbox{\hskip 18.27905pt\vbox{\vbox{}\hbox{\hskip-18.27904pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}x~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\sigma$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 36.15578pt\vbox{\hbox{\hskip-36.15578pt\hbox{\hbox{$\displaystyle\displaystyle{\Gamma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\cdot}~{}(x\colon\sigma)}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\tau$}}}\vbox{}}}\over\hbox{\hskip 48.23923pt\vbox{\vbox{}\hbox{\hskip-48.23921pt\hbox{\hbox{$\displaystyle\displaystyle\qquad\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 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23.97711pt\vbox{\vbox{}\hbox{\hskip-23.97711pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{1}}}}}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\sigma$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 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23.30582pt\vbox{\vbox{}\hbox{\hskip-23.30582pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\tau$}}}}}}$ $\displaystyle\displaystyle{\hbox{}\over\hbox{\hskip 31.55864pt\vbox{\vbox{}\hbox{\hskip-31.55862pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 60.58133pt\vbox{\hbox{\hskip-60.58133pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}hd~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\sigma$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}tl~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$}}}}\vbox{}}}\over\hbox{\hskip 43.76762pt\vbox{\vbox{}\hbox{\hskip-43.76762pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}hd\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}tl~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 72.73763pt\vbox{\hbox{\hskip-72.73763pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}xs~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}ys~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$}}}}\vbox{}}}\over\hbox{\hskip 50.06451pt\vbox{\vbox{}\hbox{\hskip-50.0645pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}xs\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}ys~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 70.40549pt\vbox{\hbox{\hskip-70.40549pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}f~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}xs~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$}}}}\vbox{}}}\over\hbox{\hskip 51.57487pt\vbox{\vbox{}\hbox{\hskip-51.57486pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(f,xs)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\tau$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 107.85016pt\vbox{\hbox{\hskip-107.85014pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}c~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}n~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\tau$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}xs~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$}}}}}\vbox{}}}\over\hbox{\hskip 44.14426pt\vbox{\vbox{}\hbox{\hskip-44.14424pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`fold}}}(c,n,xs)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\tau$}}}}}}$ ---|--- Figure 1: Context inclusion and typing rules For sake of clarity in the formalization, we quote the constructors of our object language, making a clear distinction from the corresponding features of the host language, Agda, where we use the standard ‘typed de Bruijn index’ representation of well-typed terms de Bruijn [1972]; Altenkirch and Reus [1999] to eliminate junk from consideration. In our treatment here, we always assume freshness of the variables introduced by $\lambda$-abstractions. And we do not artificially separate well-typed terms and typing derivations; in other words we will use alternatively $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\colon}\sigma$ and $t\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ to denote the same objects. #### Weakening The notion of context inclusion gives rise to a weakening operation ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wk}}_{\mathit{\\_}}$ which can be viewed as the action on morphisms of the functor $\\_~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ from the category of contexts and their inclusions to the category of well- typed terms and functions between them. It is defined inductively (cf. Figure 1) rather than as a function transporting membership predicates from one context to its extension in order to avoid having to use an extensionality axiom to prove two context inclusion proofs to be the same. This more intensional presentation can already be found under the name order preserving embeddings in Chapman’s thesis Chapman [2009]. #### From types to contexts We can lift the notion of well-typed terms $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ to whole parallel substitutions. For any two contexts named $\Gamma$ and $\Delta$, the well-typed parallel substitution from $\Gamma$ to $\Delta$ is defined by: $\Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash^{s}}~{}\Gamma=\left\\{\begin{array}[]{l@{\text{ if }\Gamma=~}l}\top\hfil\text{ if }\Gamma=~&\varepsilon\\\ \Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash^{s}}~{}\Gamma^{\prime}\times\Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma\hfil\text{ if }\Gamma=~&\Gamma^{\prime}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\cdot}~{}(x:\sigma)\end{array}\right.$ We write $t[\rho]$ for the application of the parallel substitution $\rho\colon\Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash^{s}}~{}\Gamma$ to the term $t\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ yielding a term of type $\Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$. ###### Remark 2.3. All the notions described in this document can be lifted in a pointwise fashion to either contexts when they are defined on types or parallel substitutions when they deal with terms. We will assume these extensions defined and casually use the same name (augmented with: s) for the extension and the original concept. #### Judgmental Equality The equational theory of the calculus, denoted $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv_{\operatorname{\beta\delta\iota\eta\nu}{}}}}$, is quite naturally the congruence closure of the $\operatorname{\beta\delta\iota\eta\nu}$-rules described earlier where reductions under $\lambda$-abstraction are allowed. In this paper, we also mention the relation $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}$ where the rules presented earlier are all considered with a left to right orientation (except for the identity laws for the list functor and the list monoid) thus inducing a notion of _reduction_. The soundness theorem proves that not only is the term produced by our normalization procedure related to the source one but it is a reduct of it. One easy sanity check we recommend before starting to work on the meta-theory was to give a shallow embedding of the calculus in a pre-existing sound type theory and to show that the reduction relation is compatible with the propositional equality in this theory. We used Agda extended with a postulate stating extensional equality for non-dependent functions in our formalization. Once the reader is convinced that no silly mistakes were made in the equational theory, she can start the implementation. ## 3 Reduction Machinery When looking in details at different accounts of normalization by evaluation Berger and Schwichtenberg [1991]; Coquand and Dybjer [1997]; Coquand [2002]; Ahman [2012], the reader should be able to detect that there are two phases in the process: firstly the evaluation function building elements of the model from well-typed terms performs $\beta\delta\iota$-reductions and does not reduce under $\lambda$-abstractions effectively building closures – using the $\lambda$-abstractions of the host language – when encountering one. Secondly the quoting machinery extracting terms from the model performs $\eta$-expansions where needed which will cause the closures to be reduced and new computations to be started. This two-step process was already more or less present in Berger and Schwichtenberg’s original paper Berger and Schwichtenberg [1991]: > Obviously each term in $\beta$-normal form may be transformed into long > $\beta$-normal form by suitable $\eta$-expansions. Therefore each term $r$ > may be transformed into a unique long $\beta$-normal form $r^{\star}$ by > $\beta$-conversion and $\eta$-expansions. Building on this ascertainment, we construct a three (rather than two) staged process successively performing $\beta\delta\iota$, $\eta$ and finally $\nu$ reductions whilst always potentially calling back a procedure from a preceding stage to reduce further non-normal terms appearing when e.g. going under $\lambda$-abstractions during $\eta$-expansion, distributing a map over an append, etc. ### 3.1 The Three Stages of Standardization The normalization and standardization process goes through three successive stages whence the need to define three different subsets of terms of our calculus. They have to be understood simply as syntactic category restricting the shape of terms typed in the same way as the ones in the original languages except for the few extra constructors for which we explicitly detail what they mean. ###### Remark 3.1. It should be noted that the two last steps never reduce a term to a constructor-headed one for datatypes (lists in our setting). In particular, the last step only rearranges stuck terms to produce terms which are themselves stuck. In other words: if a term (a list in our case) is convertible to a constructor headed term (be it either nil or cons), then it is reduced to it by the first step of the reduction. ###### Example 3.2. We will consider the normalization of $(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.x)\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.x)$ of type $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\varepsilon}}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}({{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}})~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}({{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}})}$ as a running example demonstrating the successive steps. #### Untyped $\beta\iota$-reductions The first intermediate language we are going to encounter is composed of weak- head $\beta\delta\iota$-normal expressions i.e. we never reduce under a lambda, this role being assigned to the $\eta$-expansion routine. Having $\lambda$-closures as first-class values is one of the characteristics of this approach. $\displaystyle m\operatorname{::=~{}}$ $\displaystyle x\mid m\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}w\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{1}}}}}m\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}m\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`fold}}}(w_{1},w_{2},m)$ $\displaystyle\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(w,m)\mid m\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}w$ $\displaystyle w\operatorname{::=~{}}$ $\displaystyle m\mid{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda[}\rho{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}]}x.t\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}}\mid w_{1}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}w_{2}\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\mid w_{1}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}w_{2}$ $\displaystyle\rho\operatorname{::=~{}}$ $\displaystyle\varepsilon\mid\rho,x\mapsto w$ Figure 2: Weak-head normal forms These values are computed using a simple off the shelf environment machine which returns a constructor when facing one; stores the evaluation environment in a $\lambda$-closure when evaluating a term starting with a $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}$; and calls an helper function (e.g. $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\$\$}}}}$, $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\pi_{1}}}}}$, $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\pi_{2}}}}}$, etc.) on the recursively evaluated subterms when uncovering an eliminator. These helper functions either return a neutral if the interesting subterm was stuck or perform the elimination which may start new computations (e.g. in the application case). We call $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh- norm}}}$ this evaluation function. ###### Remark 3.3. This reduction step is absolutely type-agnostic and could therefore be performed on terms devoid of any type information as in e.g. Coq where conversion is untyped. Keeping and propagating _some_ types (e.g. the codomain of the function in a map) is nonetheless needed to be able to infer back the type of the whole expression which is crucial in the following steps. ###### Example 3.4. The untyped evaluation reduces our simple example $(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.x)\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.x)$ to the usual identity function: ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda[}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{tt}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}]}x.x$. #### Type-directed $\eta$-expansion Then an $\eta$-expansion step kicks in and produces $\eta$-long values in a type-directed way. It insists that the only neutrals worthy of being considered normal forms are the ones of the base type. It also carves out the subset of stuck lists in a separate syntactic category $l$ thus preparing for the last step which will leave most of the rest of the language untouched. $\displaystyle n\operatorname{::=~{}}$ $\displaystyle x\mid n\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}v\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{1}}}}}n\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}n\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`fold}}}(v_{1},v_{2},l)$ $\displaystyle v\operatorname{::=~{}}$ $\displaystyle n_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}}\mid l\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.v\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}}\mid v_{1}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}v_{2}\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\mid v_{1}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}v_{2}$ $\displaystyle l\operatorname{::=~{}}$ $\displaystyle n_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma}\mid\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(v,l)\mid l\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}v$ Figure 3: $\eta$-long values The $\eta$-expansion of product and function type actually calls back the subroutines for $\beta\delta\iota$-rules projecting components out of pairs or performing function application – here to the variable newly introduced. This step is the only one requiring a name generator which allows us to avoid threading such an artifact along the whole reduction machinery. We call $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}$ the main function performing this step and present it in Figure 4. $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{list}}}$ and $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{neut}}}$ are two trivial auxiliary functions going structurally through either lists or neutral terms and calling $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}$ whenever necessary. $\begin{array}[]{@{\etanorm(}l@{)~t~=~}l}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}(\lx@intercol{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}\hfil)~{}t~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{neut}}}t\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}(\lx@intercol{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma\hfil)~{}t~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{list}}}~{}\sigma~{}t\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}(\lx@intercol{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}\hfil)~{}t~{}=~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}}\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}(\lx@intercol\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}\tau\hfil)~{}t~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}~{}\sigma~{}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\pi_{1}}}}}t)\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}~{}\tau~{}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\pi_{2}}}}}t)\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}(\lx@intercol\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau\hfil)~{}t~{}=~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}\tau(t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\$\$}}}}x))\end{array}$ Figure 4: From weak-head normal forms to $\eta$-long ones ###### Example 3.5. The $\eta$-expansion of the evaluated form ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda[}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{tt}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}]}x.x$ of type $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\varepsilon}}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}({{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}})~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}({{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}})}$ proceeds in multiple steps. * • The arrow type forces us to introduce a $\lambda$-abstraction: $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}~{}({\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}({{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}}))~{}(({\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda[}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{tt}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}]}x.x)\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\$\$}}}}x)$. * • Now, $({\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda[}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{tt}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}]}x.x)\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\$\$}}}}x$ trivially reduces to $x$, a neutral of list type, left unmodified by $\eta$-expansion. Hence the $\eta$-long form: $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.x$. #### $\nu$-rules reorganizing neutrals Standard forms have a very specific shape due to the fact that we now completely internalize the $\nu$-rules. The new constructor $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}\\_{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\\_{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\\_$ – referred to as “mapp” – has the obvious semantics that it represents the concatenation of a stuck map and a list. Figure 5: StandardForms The standard lists $s$ are produced by flattening the stuck map / append trees present in $l$ after the end of the previous procedure whilst the fold / map and fold / append fusion rules are applied in order to compute folds further and reach the point where a stuck fold is stuck on a _real_ neutral lists. These reductions are computed by the mutually defined $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- norm}}}$, $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- neut}}}$ and $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- list}}}$ respectively turning $\eta$-long normals, neutrals and lists into elements of the corresponding standard classes. $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- norm}}}$ and $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- neut}}}$ are mostly structural except for the few cases described in Figure 6. We define $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{standard}}}$ as being the composition of $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}$ and $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- norm}}}$ whilst $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}$ is the composition of $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh- norm}}}$ and $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{standard}}}$. As one can see below, $\nu$-rules can restart computations in subterms by invoking subroutines of the evaluation function $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh- norm}}}$. Formally proving the termination of the whole process is therefore highly non-trivial. $\displaystyle\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- norm}}}({\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma)\mathit{xs_{ne}}$ $\displaystyle=\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- list}}}\mathit{xs}$ $\displaystyle\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- neut}}}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`fold}}}c~{}n~{}\mathit{xs})$ $\displaystyle=\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- fold}}}c~{}n~{}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- list}}}\mathit{xs})$ $\begin{array}[]{@{\nflist~}l@{~=~}l}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- list}}}~{}\lx@intercol\mathit{xs_{ne}}\hfil~{}=~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.x){~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}xs{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- list}}}~{}\lx@intercol(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}f\mathit{xs})\hfil~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- map}}}~{}f~{}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- list}}}\mathit{xs})\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- list}}}~{}\lx@intercol(\mathit{xs}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}\mathit{ys})\hfil~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf-\operatorname{++}}}}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- list}}}\mathit{xs})(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- norm}}}~{}\\_~{}\mathit{ys})\end{array}$ $\begin{array}[]{ll@{~=~}l}\lx@intercol\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- fold}}}c~{}n~{}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}f{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}xs{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}ys)=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`fold}}}~{}\mathit{cf}~{}\mathit{ih}~{}\mathit{xs}\hfil\lx@intercol\\\ \text{ where}&\mathit{cf}\hfil~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{standard}}}~{}\\_~{}(c\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\circ\circ}}}}f)\\\ &\mathit{ih}\hfil~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{standard}}}~{}\\_~{}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh- fold}}}~{}c~{}n~{}\mathit{ys})\\\ \\\ \lx@intercol\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- map}}}f~{}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}g{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}xs{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}ys)=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}fg{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}xs{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}fys\hfil\lx@intercol\\\ \text{ where}&\mathit{fg}\hfil~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{standard}}}~{}\\_~{}(f\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{\circ\circ}}}}g))\\\ &\mathit{fys}\hfil~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{standard}}}~{}\\_~{}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh- map}}}~{}f~{}\mathit{ys})\\\ \\\ \lx@intercol\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf-\operatorname{++}}}}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}f{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}xs{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}ys)~{}\mathit{zs}=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}f{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}xs{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}yzs\hfil\lx@intercol\\\ \text{ where}&\mathit{yzs}\hfil~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{standard}}}~{}\\_~{}(ys\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wh-\operatorname{++}}}}zs)\end{array}$ Figure 6: From $\eta$-long values to standard ones ###### Example 3.6. $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{nf- norm}}}$ does not touch the $\lambda$-abstraction but expands the neutral $x$ of type ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}({{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}})$ to $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}\texttt{id}{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}x{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$ where id is the normal form of the identity function on ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}$. We leave it to the reader to check that: id $\displaystyle=\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}~{}({\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}})~{}p$ id $\displaystyle=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}p.\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}~{}({\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}})~{}p$ $\displaystyle=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}p.(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{1}}}}}p)\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\eta\mathtt{norm}}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}~{}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}p))$ $\displaystyle=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}p.(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}p)$ Hence the final standard form of $(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.x)\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.x)$: $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}p.(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}p){~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}x{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$ The grammar of standard terms explicitly defines a hierarchy between stuck functions: appends are forbidden to appear inside maps and both of them have better not be found sitting in a fold. It is but one way to guarantee the existence of standard forms and future extensions hopefully allowing the programmer to add the $\nu$-rules she fancies holding definitionally will have to make sure –for completeness’ sake– that such standard forms exist. ## 4 Formalization of the Procedure What we are interested in here is to demonstrate the decidability of the equational theory’s extension rather than explaining how to prove termination of a big step semantics in Agda and rely on functional induction to prove the different properties. The reader keen on learning about the latter should refer to James Chapman’s thesis Chapman [2009] where he describes a principled solution to proving termination of big step semantics for various calculi. We, on the other hand, will focus on the former: we opted for a version of the algorithm based, in the tradition of normalization by evaluation, on a model construction which basically collapses the layered stages but is trivially terminating by a structural argument. #### Type directed partial evaluation (or normalization by evaluation) is a way to compute the canonical forms by using the evaluation mechanism of the host language whilst exploiting the available type information to retrieve terms from the semantical objects. It was introduced by Berger and Schwichtenberg Berger and Schwichtenberg [1991] in order to have an efficient normalization procedure for Minlog. It has since been largely studied in different settings: Danvy’s lecture notes Danvy [1999] review its foundations and presents its applications as a technique to get rid of static redexes when compiling a program. It also discusses various refinements of the naïve approach such as the introduction of let bindings to preserve a call-by-value semantics or the addition of extra reduction rules111E.g. $n+0\leadsto n$ in a calculus where $\\_+\\_$ is defined by case analysis on the first argument and this expression is therefore stuck. to get cleaner code generated. Our $\nu$-rules are somehow reminiscent of this approach. T. Coquand and Dybjer Coquand and Dybjer [1997] introduced a glued model recording the partial application of combinators in order to be able to build the reification procedure for a combinatorial logic. In this case the naïve approach is indeed problematic given that the SK structure is lost when interpreting the terms in the naïve model and is impossible to get back. This was of great use in the design of a model outside the scope of this paper computing only weak-head normal forms Allais [2012]. C. Coquand Coquand [2002] showed in great details how to implement and prove sound and complete an extension of the usual algorithm to a simply-typed lambda calculus with explicit substitutions. This development guided our correctness proofs. More recently Abel et al. Abel et al. [2007a, b] built extensions able to deal with a variety of type theories. Last but not least Ahman and Staton Ahman [2012]; Ahman and Sam [2013] explained how to treat calculi equipped with algebraic effects which can be seen as an extension of the calculus of Watkins et al. Watkins et al. [2003] extending judgmental equality with equations for concurrency or Filinski’s computational $\lambda$-calculus. Filinski [2001] ###### Remark 4.1. We will call $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{nf}}}~{}\sigma$ the typing derivations restricted to standard values as per the previous section’s definitions and $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}\sigma$ the corresponding ones for standard neutrals. Standard list will be silently embedded in standard values: the separation of $s$ and $v$ is an important vestige of the syntactic category $l$ of stuck lists but inlining it in the grammar yields exactly the same set of terms. ###### Remark 4.2. Following Agda’s color scheme, function names and type constructors will be typeset in blue, constructors will appear in green and variables will be left black. ###### Definition 4.3 (Model). The model is defined by induction on the type using an auxiliary inductive definition parametric in its arguments –which guarantees that the definition is strictly positive therefore meaningful– to give a semantical account of lists. One should remember that the calculus enjoys $\eta$-rules for unit, product and arrow types; therefore the semantical counterpart of terms with such types need not be more complex than unit, pairs and actual function spaces. $\begin{array}[]{@{\NBE(\Gamma,~}l@{~)~}cl}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}(\Gamma,~{}\lx@intercol\\_\hfil~{})~{}&:&{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{type}}_{n}\rightarrow{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Set}}\\\ {\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}(\Gamma,~{}\lx@intercol{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}\hfil~{})~{}&=&\top\\\ {\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}(\Gamma,~{}\lx@intercol{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}\hfil~{})~{}&=&\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}\\\ {\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}(\Gamma,~{}\lx@intercol\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}\tau\hfil~{})~{}&=&{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)\times{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\tau)\\\ {\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}(\Gamma,~{}\lx@intercol\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau\hfil~{})~{}&=&\forall\Delta,\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\subseteq}~{}\Delta\rightarrow{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Delta,\sigma)\rightarrow{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Delta,\tau)\\\ {\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}(\Gamma,~{}\lx@intercol{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma\hfil~{})~{}&=&{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(.~{},\sigma))\\\ \end{array}$ Standardization may trigger new reductions and we have therefore the obligation to somehow store the computational power of the functions part of stuck maps. This is a bit tricky because the domain type of such functions is nowhere related to the overall type of the expression meaning that no induction hypothesis can be used. Luckily these new computations are only ever provoked by neutral terms: they come from function compositions caused by map or map-fold fusions. $\displaystyle\displaystyle{\hbox{\hskip 109.29079pt\vbox{\hbox{\hskip-109.29077pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Con}}({\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{type}}_{n})$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\sigma\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{type}}_{n}$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\mathtt{M}_{\sigma}\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Con}}({\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{type}}_{n})\rightarrow{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Set}}$}}}}}\vbox{}}}\over\hbox{\hskip 31.67926pt\vbox{\vbox{}\hbox{\hskip-31.67924pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma})\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Set}}$}}}}}}$ $\displaystyle\displaystyle{\hbox{}\over\hbox{\hskip 28.62373pt\vbox{\vbox{}\hbox{\hskip-28.62373pt\hbox{\hbox{$\displaystyle\displaystyle\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}:{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma})$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 62.23764pt\vbox{\hbox{\hskip-62.23764pt\hbox{\hbox{$\displaystyle\displaystyle\mathit{HD}\colon\mathtt{M}_{\sigma}(\Gamma)$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\mathit{TL}\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma})$}}}}\vbox{}}}\over\hbox{\hskip 46.25925pt\vbox{\vbox{}\hbox{\hskip-46.25923pt\hbox{\hbox{$\displaystyle\displaystyle\mathit{HD}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}\mathit{TL}\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma})$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 153.78053pt\vbox{\hbox{\hskip-153.78053pt\hbox{\hbox{$\displaystyle\displaystyle\mathit{F}\colon\forall\Delta,\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\subseteq}~{}\Delta\rightarrow\Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}\tau\rightarrow\mathtt{M}_{\sigma}(\Delta)$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\mathit{xs}\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\tau}$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle \mathit{YS}\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma})$}}}}}\vbox{}}}\over\hbox{\hskip 72.742pt\vbox{\vbox{}\hbox{\hskip-72.742pt\hbox{\hbox{$\displaystyle\displaystyle\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}\mathit{F}{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\mathit{YS}\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma})$}}}}}}$ ###### Remark 4.4. One should notice the Kripke flavour of the interpretation of function types. It is exactly what is needed to write down a weakening operation thus giving the entire model a Kripke-like structure. ###### Definition 4.5 (Reify and reflect). Mutually defined processes allow normal forms $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{nf}}}~{}\sigma$ to be extracted from elements of the model ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)$ whilst neutral forms $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}\sigma$ can be turned into elements of the model. ###### Proof 4.6. Both ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\sigma}\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)\rightarrow\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{nf}}}~{}\sigma$ and ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\sigma}\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}\sigma\rightarrow{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)$ are defined by induction on their type index $\sigma$. #### Unit, base and product types The unit case is trivial: the reification process returns $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}}$ while the reflection one produces the only inhabitant of $\top$. The base type case is solved by the embedding of neutrals into normals on one hand and by the identity function on the other hand. The product case is simply discharged by invoking the induction hypotheses: the reification is the pairing of the reifications of the subterms while the reflection is the reflection of the $\eta$-expansion of the stuck term. We can now focus on the more subtle cases. #### Arrow type The function case is obtained by $\eta$-expansion both at the term level (the normal form will start with a $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}$) and the semantical level (the object will be a function). It is here that the fact that the definitions are mutual is really important. $\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau}F$ $\displaystyle\overset{\text{def}}{=}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\tau}F(\\_,{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\sigma}x)$ $\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau}f$ $\displaystyle\overset{\text{def}}{=}\lambda\Delta~{}inc~{}x.{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\tau}({\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wk}}_{\mathit{inc}}(f)\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\sigma}x)$ #### Lists The list case is dealt with by recursion on the semantical list for the reification process and a simple injection for the reflection case. We write ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow\downarrow}_{\sigma}$ and ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow\uparrow}_{\sigma}$ for the helper functions performing reification and reflection on lists of type ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$. $\begin{array}[]{@{\listreify}l@{~\eqdef~}l}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow\downarrow}_{\sigma}\lx@intercol\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\hfil~{}\overset{\text{def}}{=}~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\\\ {\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow\downarrow}_{\sigma}\lx@intercol\mathit{HD}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}\mathit{TL}\hfil~{}\overset{\text{def}}{=}~{}&{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\sigma}\mathit{HD}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow\downarrow}_{\sigma}\mathit{TL}\\\ {\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow\downarrow}_{\sigma}\lx@intercol\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}f{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\mathit{YS}\hfil~{}\overset{\text{def}}{=}~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\sigma}f(x){~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow\downarrow}_{\sigma}\mathit{YS}\end{array}$ This injection corresponds to applying the identity functor and monoid law. Indeed $\lambda\Delta\\_.{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\sigma}$ denotes the identity function and has the appropriate type $\forall\Delta,\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\subseteq}~{}\Delta\rightarrow\Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}\sigma\rightarrow{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Delta,\sigma)$ to fit in the semantical list mapp constructor. ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow\uparrow}_{\sigma}xs~{}\overset{\text{def}}{=}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}\lambda\Delta\\_.{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\sigma}{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$ ###### Example 4.7. of $\eta\nu$-expansions provoked by the reflect / reify functions: for $\mathit{xs}$ a neutral list of type ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}({\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}})$, we get an expanded version by drowning it in the model and reifying it back: ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow\downarrow}_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}}({\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow\uparrow}_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}}\mathit{xs})=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}p.(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}p){~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$ This showcases the $\eta$-expansion of unit, products and functions as well as the use of the identity laws mentioned during the definition of ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow\uparrow}_{\sigma}$. Proving that every term can be normalized now amounts to proving the existence of an evaluation function producing a term $T$ of the model ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Delta,\sigma)$ given a well-typed term $t$ of the language $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ and a semantical environment ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(\Delta,\Gamma)$. Indeed the definition of the reflection function ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\sigma}$ together with the existence of environment weakenings give us the necessary machinery to produce a diagonal semantical environment ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(\Gamma,\Gamma)$ which could then be fed to such an evaluation function. In order to keep the development tidy and have a more modular proof of correctness, it is wise to give this evaluation function as much structure as possible. This is done through a multitude of helper functions explaining what the semantical counterparts of the usual combinators of the calculus (except for lambda which, integrating a weakening to give the model its Kripke structure, is a bit special) ought to look like. $\begin{array}[]{l@{~\vappend\mathit{ZS}=\,}l}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\hfil~{}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{++}}}&\mathit{ZS}\\\ \mathit{HD}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}\mathit{TL}\hfil~{}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{++}}}&\mathit{HD}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}(\mathit{TL}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{++}}}\mathit{ZS})\\\ \operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}F{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\mathit{YS}\hfil~{}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{++}}}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}\mathit{F}{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}(\mathit{YS}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{++}}}\mathit{ZS})\end{array}$ $\begin{array}[]{@{\vmap~\mathit{F}~}l@{~=~}l}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{map}}}~{}\mathit{F}~{}\lx@intercol\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\hfil~{}=~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{map}}}~{}\mathit{F}~{}\lx@intercol(\mathit{HD}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}\mathit{TL})\hfil~{}=~{}&F(\\_,\mathit{HD})\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{map}}}F\,\mathit{TL}\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{map}}}~{}\mathit{F}~{}\lx@intercol(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}G{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\mathit{YS})\hfil~{}=~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}F\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\circ}}G{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{map}}}F\,\mathit{YS}\\\ \lx@intercol\text{where}~{}F~{}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\circ}}~{}G=\lambda E~{}\mathit{inc}~{}t.F(\mathit{inc},G(\mathit{inc},t))\hfil\lx@intercol\end{array}$ $\begin{array}[]{l@{~=~}l}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{fold}}}~{}~{}C~{}N~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\hfil~{}=~{}&N\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{fold}}}~{}~{}C~{}N~{}(\mathit{HD}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}\mathit{TL})\hfil~{}=~{}&C(\\_,\mathit{HD},\\_,\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{fold}}}~{}C~{}N~{}\mathit{TL})\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{fold}}}_{\tau}C~{}N~{}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}F{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\mathit{YS})\hfil~{}=~{}&{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\tau}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`fold}}}(c,n,\mathit{xs})\\\ \lx@intercol\begin{array}[]{ll@{~=~}l}\text{where}&c\hfil~{}=~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}y.{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\tau}C(\\_,F(\\_,x)),\\_,{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\tau}y)\\\ &n\hfil~{}=~{}&{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\tau}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{fold}}}~{}C~{}N~{}\mathit{YS}\end{array}\hfil\lx@intercol\end{array}$ | $\begin{array}[]{@{\termeval~}l@{~R~=~}l}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol x\hfil~{}R~{}=~{}&R(x)\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.t)\hfil~{}R~{}=~{}&\lambda E~{}\mathit{inc}~{}S.\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}t~{}({\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wk}^{s}}_{\mathit{inc}}(R),x\mapsto S)\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(f\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}x)\hfil~{}R~{}=~{}&(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}f~{}R)(\\_,\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}x~{}R)\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}})\hfil~{}R~{}=~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{tt}}}\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(a\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}b)\hfil~{}R~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}a~{}R,\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}b~{}R\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{1}}}}}t)\hfil~{}R~{}=~{}&\operatorname{\pi_{1}}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}t~{}R)\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}t)\hfil~{}R~{}=~{}&\operatorname{\pi_{2}}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}t~{}R)\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}})\hfil~{}R~{}=~{}&\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(\mathit{hd}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}\mathit{tl})\hfil~{}R~{}=~{}&(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\mathit{hd}~{}R)\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\mathit{tl}~{}R)\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(\mathit{xs}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}\mathit{ys})\hfil~{}R~{}=~{}&(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\mathit{xs}~{}R)\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{++}}}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\mathit{ys}~{}R)\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(f,\mathit{xs}))\hfil~{}R~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{map}}}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}f~{}R)(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\mathit{xs}~{}R)\\\ \operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\lx@intercol(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`fold}}}(c,n,\mathit{xs}))\hfil~{}R~{}=~{}&\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{fold}}}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}c~{}R)(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}n~{}R)(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}~{}\mathit{xs}~{}R)\end{array}$ ---|--- Figure 7: Evaluation function and semantical counterparts of list primitives ###### Theorem 4.8 (Evaluation function). Given a term in $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ and a semantical environment in ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(\Delta,\Gamma)$, one can build a semantical object in ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Delta,\sigma)$. ###### Proof 4.9. A simple induction on the term to be evaluated using the semantical counterparts of the calculus’ combinators to assemble semantical objects obtained by induction hypotheses discharges most of the goals. See Figure 7 for the details of the code. In the lambda case, we have the body of the lambda $b$ in $\Gamma\cdot\sigma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\tau$, an evaluation environment $R$ in ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(\Delta,\Gamma)$ and we are given a context $E$, a proof inc that $\Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\subseteq}~{}E$ and an object $S$ living in ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(E,\sigma)$. By combining $S$ and a weakening of $R$ along inc, we get an evaluation environment of type ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(E,\Gamma\cdot\sigma)$ which is just what we needed to conclude by using the ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(E,\tau)$ delivered by the induction hypothesis on $b$. ###### Remark 4.10. Unlike traditional normalization by evaluation, reflection and reification are used when defining the interpretation of terms in the model. This is made necessary by the presence of syntactical artifacts (stuck lists) in the mapp constructor. Growing the spine of stuck eliminators calls for the reification of these eliminators’ parameters and the reflection of the whole stuck expression to re-inject it in the model. This kind of patterns also appeared in the glueing construction introduced by Coquand and Dybjer in their account of normalization by evaluation for the simply-typed SK-calculus Coquand and Dybjer [1997] and can be observed in other variants of normalization by evaluation deciding more exotic equational theories e.g. having $\beta$-reduction but no $\eta$-rules for the simply- typed $\lambda$-calculus Allais [2013]. ###### Remark 4.11. The only place where type information is needed is when reorganizing neutrals following $\nu$-rules e.g. in the semantical fold. The evaluation function is therefore faithful to the staged evaluation approach. The model is indeed related to the algorithm presented earlier on in section 3.1: we _describe_ all the computations eagerly for Agda to see the termination argument but a subtle evaluation strategy applied to the produced code could reclaim the behaviour of the layered approach. It would have to form lambda closures in the arrow case, fire eagerly only the reductions eliminating constructors in the $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{map}}}$, $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{++}}}$ and $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}\mathtt{fold}}}$ helper functions thus postponing the execution of the code corresponding to $\eta\nu$-rules to reification time. ###### Corollary 4.12. There is a normalization function $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}$ turning terms in $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ into normal forms in $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{nf}}}~{}\sigma$. ###### Proof 4.13. Given $t$ a term of type $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ and ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\texttt{id}}^{s}}$ the function turning a context $\Gamma$ into the corresponding diagonal semantical environment ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(\Gamma,\Gamma)$, the normalization procedure is given by the composition of evaluation and reification: $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}t\overset{\text{def}}{=}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\sigma}(\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}(t,{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\texttt{id}}^{s}}\Gamma))$ ## 5 Correctness The typing information provided by the implementation language guarantees that the procedure computes terms in normal forms from its inputs and that they have the same type. This is undoubtedly a good thing to know but does not forbid all the potentially harmful behaviours: the empty list is a type correct normal form for any input of type list but it certainly is not a satisfactory answer with respect to $\operatorname{\beta\delta\iota\eta\nu}$-equality. Hence the need for a soundness and a completeness theorem tightening the specification of the procedure. The meta-theory is an ad-hoc extension of the techniques already well explained by Catarina Coquand Coquand [2002] in her presentation of a simply- typed lambda calculus with explicit substitutions (but no data). Soundness is achieved through a simple logical relation while completeness needs two mutually defined notions explaining what it means for elements of ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}$ to be semantically equal and to behave uniformly on extensionally equal terms. The reader should think of these logical relations as specifying requirements for a characterization (being equal, being uniform) to be true of an element at some type. The natural deduction style presentation of these recursive functions should then be quite natural for her: read in a bottom-top fashion, they express that the (dependent) conjunction of the hypotheses – the empty conjunction being $\top$– is the requirement for the goal to hold. Hence leading to a natural interpretation: $\displaystyle\displaystyle{\hbox{\hskip 31.72469pt\vbox{\hbox{\hskip-31.72469pt\hbox{\hbox{$\displaystyle\displaystyle A$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle B$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle C$}}}}}\vbox{}}}\over\hbox{\hskip 9.60419pt\vbox{\vbox{}\hbox{\hskip-9.60419pt\hbox{\hbox{$\displaystyle\displaystyle F(t)$}}}}}}$ $\displaystyle\displaystyle{\huge\leadsto}$ $\displaystyle\displaystyle F(t)=A\times B\times C$ ### 5.1 Soundness Soundness amounts to re-building the propositional part of the reducibility candidate argument Girard [2006] which has been erased to get the bare bones model. The logical relation ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T$ relates a semantical object $T$ in ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)$ and a term $t$ in $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ which is morally the source of the semantical object. ###### Definition 5.1 (Logical Relation for Soundness). ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T$ is defined by induction on the type $\sigma$ plus an appropriate inductive definition for the list case ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma},{\mathtt{M}_{\sigma}~{}\\_~{}\lightning~{}\\_})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}\mathit{xs}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}\mathit{XS}$. Here are the formation rules of these types. $\displaystyle\displaystyle{\hbox{\hskip 48.21074pt\vbox{\hbox{\hskip-48.21074pt\hbox{\hbox{$\displaystyle\displaystyle\mathit{t}\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\mathit{T}\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)$}}}}\vbox{}}}\over\hbox{\hskip 45.00826pt\vbox{\vbox{}\hbox{\hskip-45.00824pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Set}}$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 151.88522pt\vbox{\hbox{\hskip-151.88521pt\hbox{\hbox{$\displaystyle\displaystyle\mathit{xs}\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\mathit{XS}\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma})$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\mathtt{M}_{\sigma}~{}\\_~{}\lightning~{}\\_\colon\forall\Gamma,\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma\rightarrow\mathtt{M}_{\sigma}\Gamma\rightarrow{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Set}}$}}}}}\vbox{}}}\over\hbox{\hskip 81.7673pt\vbox{\vbox{}\hbox{\hskip-81.7673pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma},{\mathtt{M}_{\sigma}~{}\\_~{}\lightning~{}\\_})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}\mathit{xs}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}\mathit{XS}\colon{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Set}}$}}}}}}$ ###### Remark 5.2. It should be no surprise to the now experienced reader that the inductive definition of the logical relation for ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$ is parametrized by $\mathtt{M}_{\sigma}~{}\\_~{}\lightning~{}\\_$, the logical relation for elements of type $\sigma$ which will be lifted to lists, simply to avoid positivity problems. It is ultimately instantiated with the logical relation taken at type $\sigma$. She will also have noticed that the uses of both $\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\mathcal{M}}$ and $\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\mathcal{L}}$ on the left of $\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\ni}$ are but syntactical artifacts to hint at the connection with the model definition. Hence the different arity in the case of the logical relation for lists. #### Unit, base and product types The unit and base type cases are, as expected, the simplest ones and the product case is not very much more exciting: $\displaystyle\displaystyle{\hbox{}\over\hbox{\hskip 36.59569pt\vbox{\vbox{}\hbox{\hskip-36.59567pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 17.01454pt\vbox{\hbox{\hskip-17.01453pt\hbox{\hbox{$\displaystyle\displaystyle t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}T$}}}\vbox{}}}\over\hbox{\hskip 38.84001pt\vbox{\vbox{}\hbox{\hskip-38.84001pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 174.90216pt\vbox{\hbox{\hskip-174.90216pt\hbox{\hbox{$\displaystyle\displaystyle a\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle b\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\tau$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}a\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}b$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}a~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}A$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}b~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}B$}}}}}}}\vbox{}}}\over\hbox{\hskip 53.58994pt\vbox{\vbox{}\hbox{\hskip-53.58994pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}\tau)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}A,B$}}}}}}$ #### Arrow type Function types on the other hand give rise to a Kripke-like structure in two ways: in addition to the quantification on all possible future context which we need to match the model construction, there is also a quantification on all possible source term reducing to the current one. $\displaystyle\displaystyle{\hbox{\hskip 202.61156pt\vbox{\hbox{\hskip-202.61156pt\hbox{\hbox{$\displaystyle\displaystyle\forall\Delta(inc\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\subseteq}~{}\Delta)~{}x~{}X,{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Delta,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}x~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}X\rightarrow$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\forall t,t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wk}}_{\mathit{inc}}f\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}x\rightarrow{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Delta,\tau)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}F(\mathit{inc},X)$}}}}\vbox{}}}\over\hbox{\hskip 47.27573pt\vbox{\vbox{}\hbox{\hskip-47.27573pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}f~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}F$}}}}}}$ #### Lists The cases for nil and cons are simply saying that the source term indeed reduces to a term with the corresponding head-constructors and that the eventual subterms are also related to the sub-objects. $\displaystyle\displaystyle{\hbox{\hskip 18.67601pt\vbox{\hbox{\hskip-18.676pt\hbox{\hbox{$\displaystyle\displaystyle t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$}}}\vbox{}}}\over\hbox{\hskip 69.37839pt\vbox{\vbox{}\hbox{\hskip-69.37839pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma},{\mathtt{M}_{\sigma}~{}\\_~{}\lightning~{}\\_})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 152.70146pt\vbox{\hbox{\hskip-152.70145pt\hbox{\hbox{$\displaystyle\displaystyle t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}\mathit{hd}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}\mathit{tl}$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\mathtt{M}_{\sigma}~{}\mathit{hd}~{}\lightning~{}\mathit{HD}$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma},{\mathtt{M}_{\sigma}~{}\\_~{}\lightning~{}\\_})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}\mathit{tl}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}\mathit{TL}$}}}}}\vbox{}}}\over\hbox{\hskip 87.0139pt\vbox{\vbox{}\hbox{\hskip-87.01389pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma},{\mathtt{M}_{\sigma}~{}\\_~{}\lightning~{}\\_})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}\mathit{HD}\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`::}}~{}}\mathit{TL}$}}}}}}$ The mapp case is a bit more complex. The source term is expected to reduce to a term with the same canonical shape and then we expect the semantical function to behave like the one discovered. $\displaystyle\displaystyle{\hbox{\hskip 185.01125pt\vbox{\hbox{\hskip-56.15881pt\hbox{\hbox{$\displaystyle\displaystyle t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(f,\mathit{xs})\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}\mathit{ys}$}}}\vbox{\hbox{\hskip-185.01125pt\hbox{\hbox{$\displaystyle\displaystyle\forall\Delta(\mathit{inc}\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\subseteq}~{}\Delta)~{}t\rightarrow\mathtt{M}_{\sigma}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wk}}_{\mathit{inc}}(f)\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}t~{}\lightning~{}F(\mathit{inc},t)$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma},{\mathtt{M}_{\sigma}~{}\\_~{}\lightning~{}\\_})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}\mathit{ys}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}\mathit{YS}$}}}}\vbox{}}}}\over\hbox{\hskip 114.14249pt\vbox{\vbox{}\hbox{\hskip-114.14249pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{L}}}(\Gamma,\sigma,\mathtt{M}_{\sigma},{\mathtt{M}_{\sigma}~{}\\_~{}\lightning~{}\\_})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}{\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}F{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}\mathit{xs}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\mathit{YS}}$}}}}}}$ The first thing to notice is that whenever two objects are related by this logical relation then the property of interest holds true i.e. the semantical object indeed is a reduct of the source term. This result which mentions the reifying function has to be proven together with the corresponding one about the mutually defined reflection function. ###### Definition 5.3 (Pointwise extension). We denote by ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(\\_,\\_)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}\\_~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning\lightning}~{}\\_$ the pointwise extension of the soundness logical relation to parallel substitutions and semantical environments. ###### Lemma 5.4. Reflect and reify are compatible with this logical relation in the sense that: 1. 1. If $t_{\mathit{ne}}$ is a neutral $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}\sigma$ then ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t_{\mathit{ne}}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\sigma}t_{\mathit{ne}}$. 2. 2. If $t$ and $T$ are such that ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T$ then $t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\sigma}T$ The Kripke-style structure we mentioned during the definition of the logical relation adds just what is need to have it closed under anti-reductions of the source term: ###### Proposition 5.5. For all $s$ and $t$ in $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$, if $s\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}t$ then for all $T$ such that ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T$, it is also true that ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}s~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T$ The proof of soundness then mainly involves showing that the semantical counterparts of the language’s combinators we defined during the model construction are compatible with the logical relation. Namely that e.g. if ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}\tau)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}f~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}F$ and ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}xs~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}XS$ hold then it is also true that: ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\tau})~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(f,xs)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(F,XS)$. ###### Theorem 5.6. Given a term $t\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$, a parallel substitution $\rho\colon\Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash^{s}}~{}\Gamma$ and an evaluation environment $R$ such that $\rho$ and $R$ are related (${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(\Delta,\Gamma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}\rho~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning\lightning}~{}R$ holds), the evaluation of $t$ in $R$ is related to $t[\rho]$: ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Delta,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}{t[\rho]}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}(t,R)$ ###### Proof 5.7. The theorem is proved by structural induction on the shape of the typing derivation of $t$. The variable case is trivially discharged by using the proof of ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(\Delta,\Gamma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}\rho~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning\lightning}~{}R$. All the other cases – except for the lambda one – can be solved by combining induction hypotheses with the appropriate lemma proving that the corresponding semantical combinator respects the logical relation. In the case where $t=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.b$, we are given a context $E$ together with a proof $inc$ that it is an extension of $\Delta$, a term $u$ and an object $U$ which are related ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(E,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}u~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}U$ and, finally, a term $s\colon E~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\tau$ which reduces to $(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.b)[\rho]\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\$}}}u$. First of all, we should notice that $s\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}b[\rho,x\mapsto u]$ and therefore that to prove ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(E,\tau)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}s~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T$ it is enough to prove that ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(E,\tau)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}{b[\rho,x\mapsto u]}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}T$. And we get just that by using the induction hypothesis with the related parallel substitution $\rho^{\prime}$ and evaluation environment $R^{\prime}$ obtained by the combination of the weakening of $\rho$ (resp. $R$) along $inc$ with $u$ (resp. $U$). ###### Corollary 5.8. A term $t$ reduces to the normal form produced by the normalization by evaluation procedure: $t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}t$. And if two terms $t$ and $u$ have the same normal form up-to $\alpha$-equivalence then they are indeed related: $t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv_{\operatorname{\beta\delta\iota\eta\nu}{}}}}u$. ###### Proof 5.9. The identity parallel substitution is related to the diagonal evaluation environment and $t[{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{id}}_{\Gamma}]$ is equal to $t$ hence, by the previous theorem, ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\ni}~{}t~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\lightning}~{}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}(t,{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{id}}_{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}~{}\Gamma})$ and then $t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}^{*}}}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}t$. ### 5.2 Completeness Completeness can be summed up by the fact that the interpretation of $\operatorname{\beta\delta\iota\eta\nu}$-convertible elements produces semantical objects behaving similarly. This notion of similar behaviour is formalized as _semantic equality_ where, in the function case, we expect both sides to agree on any _uniform_ input rather than any element of the model. As usual the list case is dealt with by using an auxiliary definition parametric in its ”interesting” arguments. ###### Definition 5.10. The semantic equality of two elements $T,U$ of ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)$ is written $T~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv}_{\sigma}~{}U$ while $T\in{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)$ being uniform is written ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Uni}}_{\sigma}~{}T$. They are both mutually defined by induction on the index $\sigma$ in Figure 8. $\displaystyle\displaystyle{\hbox{}\over\hbox{\hskip 17.59418pt\vbox{\vbox{}\hbox{\hskip-17.59416pt\hbox{\hbox{$\displaystyle\displaystyle T~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv}_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}}~{}U$}}}}}}$ $\displaystyle\displaystyle{\hbox{}\over\hbox{\hskip 15.99799pt\vbox{\vbox{}\hbox{\hskip-15.99797pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Uni}}_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}}~{}T$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 14.24196pt\vbox{\hbox{\hskip-14.24194pt\hbox{\hbox{$\displaystyle\displaystyle T=U$}}}\vbox{}}}\over\hbox{\hskip 18.86867pt\vbox{\vbox{}\hbox{\hskip-18.86865pt\hbox{\hbox{$\displaystyle\displaystyle T~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv}_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}}~{}U$}}}}}}$ $\displaystyle\displaystyle{\hbox{}\over\hbox{\hskip 17.27248pt\vbox{\vbox{}\hbox{\hskip-17.27246pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Uni}}_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}}~{}T$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 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20.00003pt\hbox{$\displaystyle\displaystyle\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(F_{1},\mathit{xs_{1}})\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}\mathit{YS_{1}}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv}_{\sigma}^{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{`list}}}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(F_{2},\mathit{xs_{2}})\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}\mathit{YS_{2}}$}}}}}}$ $\displaystyle\displaystyle{\hbox{\hskip 141.59784pt\vbox{\hbox{\hskip-92.36194pt\hbox{\hbox{$\displaystyle\displaystyle\forall\Delta(\mathit{inc}\colon\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\subseteq}~{}\Delta)(t\colon\Delta~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}\tau),{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Uni}}_{\sigma}~{}F(\mathit{inc},t)$}}}\vbox{\hbox{\hskip-141.59784pt\hbox{\hbox{$\displaystyle\displaystyle\forall\mathit{inc_{1}},\mathit{inc_{2}},t,{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wk}}_{\mathit{inc_{1}}}~{}F(\mathit{inc_{2}},t)}~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv}_{\sigma}~{}{F(\mathit{inc_{2}}\cdot\mathit{inc_{1}},{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{wk}}_{\mathit{inc_{1}}}~{}t)}$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Uni}}_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma}~{}\mathit{YS}$}}}}\vbox{}}}}\over\hbox{\hskip 62.58598pt\vbox{\vbox{}\hbox{\hskip-62.58597pt\hbox{\hbox{$\displaystyle\displaystyle{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Uni}}_{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma}~{}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(F,\mathit{xs})\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}\mathit{YS}$}}}}}}$ Figure 8: Semantic equality and uniformity of objects in the model Quite unsurprisingly, the unit case is of no interest: all the semantical units are equivalent and uniform. Semantic equality for elements with base types is up-to $\alpha$-equivalence: inhabitants are just bits of data (neutrals) which can be compared in a purely syntactical fashion because we use nameless terms. They are always uniform. In the product case, the semantical objects are actual pairs and the definition just forces the properties to hold for each one of the pair’s components. The function type case is a bit more hairy. While extensionality on uniform arguments is simple to state, uniformity has to enforce a lot of invariants: application of uniform objects should yield a uniform object, application of extensionally equal uniform objects should yield extensionally equal objects and weakening and application should commute (up to extensionality). In the ${\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}\sigma$ case, extensional equality is an inductive set basically building the (semantical) diagonal relation on lists of the same type. It is parametrized by a relation $EQ_{\sigma}$ on terms of type ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Delta,\sigma)$ (for any context $\Delta$) which is, in the practical case instantiated with $\\_~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv}_{\sigma}~{}\\_$ as one would expect. Uniformity is, on the other hand, defined by recursion on the semantical list. It could very well be defined as being parametric in something behaving like ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Uni}}_{\sigma}~{}\\_$ but this is not necessary: there are no positivity problems! It is therefore probably better to stick to a lighter presentation here. The empty list indeed is uniform. A constructor-headed list is said to be uniform if its head of type ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}}(\Gamma,\sigma)$ is uniform and its tail also is uniform. The criterion for a stuck list is a bit more involved. Mimicking the definition of uniformity for functions, there are two requirements on the stuck map: applying it to a neutral yields a uniform element of the model and application and weakening commute. Lastly the second argument of the stuck append should be uniform too. ###### Remark 5.11. The careful reader will already have noticed that this defines a family of equivalence relations; we will not make explicit use of reflexivity, symmetry and transitivity in the paper but it is fundamental in the formalization. Recall that the completeness theorem was presented as expressing the fact that elements equivalent with respect to the reduction relation were interpreted as semantical objects behaving similarly. For this approach to make sense, knowing that two semantical objects are extensionally equal should immediately imply that their respective reifications are syntactically equal. Which is the case. ###### Lemma 5.12. Reification, reflection and weakenings are compatible with the notions of extensional equality and uniformity. 1. 1. If $T~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv}_{\sigma}~{}U$ then ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\sigma}T={\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\downarrow}_{\sigma}U$ 2. 2. If $t_{ne}$ is a neutral $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash_{\mathit{ne}}}~{}\sigma$ then ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathtt{Uni}}_{\sigma}~{}({\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\uparrow}_{\sigma}t_{ne})$ 3. 3. Weakening and reification commute for uniform objects Now that we know that all the theorem proving ahead of us will not be meaningless, we can start actually tackling completeness. When applying an extensional function, it is always required to prove that the argument is uniform. Being able to certify the uniformity of the evaluation of a term is therefore of the utmost importance. ###### Lemma 5.13. Evaluation preserves properties of the evaluation environment. 1. 1. Evaluation in uniform environments produces uniform values 2. 2. Evaluation in semantically equivalent environments produces semantically equivalent values 3. 3. Weakening the evaluation of a term is equivalent to evaluating this term in a weakened environment ###### Theorem 5.14. If $s$ and $t$ are two terms in $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$ such that $s\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\leadsto_{\operatorname{\beta\delta\iota\eta\nu}}}}t$ and if $R$ is a uniform environment in ${\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\mathcal{M}}^{s}}(\Delta,\Gamma)$ then $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}(s,R)~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv}_{\sigma}~{}\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}(t,R)$. ###### Proof 5.15. One proceeds by induction on the proof that $s$ reduces to $t$. #### Structural rules Structural rules can be discharged by combining induction hypotheses and reflexivity proofs using previously proved lemma such as the fact that evaluation in uniform environments yields uniform elements for the structural rule for the argument part of application. #### $\beta\iota$-rules Each one the $\iota$ rules holds by reflexivity of the extensional equality, indeed evaluation realizes these computation rules syntactically. The case of the $\beta$ rule is slightly more complicated. Given a function $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.b$ and its argument $u$, one starts by proving that the diagonal semantical environment extended with the evaluation of $u$ in $R$ is extensionally equal to the evaluation in $R$ of the diagonal substitution extended with $u$. Thence, knowing that the evaluations of a term in two extensionally equal environments are extensionally equal, one can see that the evaluation of the redex is related to the evaluation of the body in an environment corresponding to the evaluation of the substitution generated when firing the redex. Finally, the fact that $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}eval}}$ and substitution commute (up-to-extensionality) lets us conclude. #### $\eta\nu$-rules definitely are the most work-intensive ones: except for the ones for product and unit types which can be discharged by reflexivity of the semantic equality, all of them need at least a little bit of theorem proving to go through. It is possible to prove the map-id, map-append, append-nil, associativity of append and various fusion rules by induction on the ‘nut’ for uniform values. Solving the goals is then just a matter of combining the right auxiliary lemma with facts proved earlier on, typically the uniformity of semantical object obtained by evaluating a term in a uniform environment. ###### Corollary 5.16 (Completeness). For all terms $t$ and $u$ of type $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$, if $t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv_{\operatorname{\beta\delta\iota\eta\nu}{}}}}u$ then $\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}t=\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}u$. ###### Proof 5.17. Reflection produces uniform values and uniformity is preserved through weakening hence the fact that the trivial diagonal environment is uniform. Combined with iterations of the previous lemma along the proof that $t\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\equiv_{\operatorname{\beta\delta\iota\eta\nu}{}}}}u$, we get that the respective evaluations of $t$ and $u$ are extensionally equal which we have proved to be enough to get syntactically equal reifications. ###### Corollary 5.18. The equational theory enriched with $\nu$-rules is decidable. ###### Proof 5.19. Given terms $t$ and $u$ of the same type $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}\sigma$, we can get two normal forms $t_{nf}=\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}t$ and $u_{nf}=\operatorname{{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}norm}}u$ and test them for equality up-to $\alpha$-conversion (which is a simple syntactic check in our nameless representation in Agda). If $t_{nf}=u_{nf}$ then the soundness result allows us to conclude that $t$ and $u$ are convertible terms. If $t_{nf}\neq u_{nf}$ then $t$ and $u$ are not convertible. Indeed, if they were then the completeness result guarantees us that $t_{nf}$ and $u_{nf}$ would be equal which leads to a contradiction. ###### Example 5.20. of terms which are identified thanks to the internalization of the $\nu$-rules. 1. 1. In a context with two functions $f$ and $g$ of type $\sigma~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`1}}$, $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}xs.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(f,xs)$ and $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}xs.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(g,xs)$ both normalize to $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}xs.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}\\_.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\langle\rangle}}},xs)\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$ and are therefore declared equal. 2. 2. At type $\Gamma~{}{\color[rgb]{0.0600000000000001,0.46,1}\definecolor[named]{pgfstrokecolor}{rgb}{0.0600000000000001,0.46,1}\pgfsys@color@cmyk@stroke{0.94}{0.54}{0}{0}\pgfsys@color@cmyk@fill{0.94}{0.54}{0}{0}\vdash}~{}{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}({\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{l}}})~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\rightarrow}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`list}}~{}({\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{k}}~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\times}~{}{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\alpha}_{l}}})}$, the terms $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}xs.xs$ and $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}xs.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(swap,\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(swap,xs))$ where $swap$ is the function $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}p.(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}p\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{1}}}}}p)$ swapping the order of a pair’s elements are convertible with normal form $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}xs.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}p.(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{1}}}}}p\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}p),xs)\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$. ## 6 Scaling up to Type Theory Now that we know for sure that the judgmental equality can be safely extended with some $\nu$-rules, we are ready to tackle more complex type theories. We have already experimented with extending our simply-typed setting to a universe of polynomial datatypes with map and fold. We have to identify which parts of the setting are key to the success of this technique and how to enforce that the generalized version still has good properties. #### Types Arrow types will be replaced by $\Pi$-types and product types by $\Sigma$-types but the basic machinery of evaluation and type-directed $\eta$-expansion work in much the same way. In Type Theory, it is not quite enough to be able to decide the judgmental equality. Pollack’s PhD thesis (Pollack [1994], Section 5.3.1), taught us how to turn the typing relation with a conversion rule into a syntax-directed typechecking algorithm by relying on ordinary evaluation (cf. the application typing rule in Figure 9). It is therefore quite crucial for ensuring the reusability of previous typechecking algorithms to be able to guarantee that ordinary evaluation is complete for uncovering constructor-headed terms i.e. $\Gamma\vdash t\equiv C~{}\vec{t_{i}}\colon T$ should imply that $t\leadsto^{\star}C~{}\vec{t_{i}}^{\prime}$. This can be enforced by making sure that candidates for $\nu$-rules are only reorganizing spines of stuck eliminators and are absolutely never emitting new constructors. $\displaystyle\displaystyle{\hbox{\hskip 135.91005pt\vbox{\hbox{\hskip-135.91003pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma\vdash f\colon F\qquad F\leadsto^{\star}(x:S)\rightarrow T$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma\vdash s\colon S^{\prime}$}\hskip 20.00003pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma\vdash S\equiv S^{\prime}\colon\mathtt{Set}$}}}}}\vbox{}}}\over\hbox{\hskip 34.77243pt\vbox{\vbox{}\hbox{\hskip-34.77243pt\hbox{\hbox{$\displaystyle\displaystyle\Gamma\vdash fs\colon T[s/x]$}}}}}}$ Figure 9: Syntax-directed typing rule for application, Pollack Pollack [1994] #### $\eta$-rules A Type Theory does not need to have judgmental $\eta$-rules for the $\nu$-rules to make sense. However this partially defeats the purpose of this extension: without $\eta$-rules for products we fail to identify the silly identity on lists of products map swap . map swap with the more traditional one $\lambda x.x$ because $f_{1}=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.x$ is different from $f_{2}=\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.(\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{1}}}}}x\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`,}}~{}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`\operatorname{\pi_{2}}}}}x)$ when both terms would reduce respectively to $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}f_{1}{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}x{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$ and $\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`}\lambda}}x.\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\langle}f_{2}{~{}\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12},~{}}x{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\rangle\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}}\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`[]}}}$. So close yet so far away! #### Defined symbols In this presentation, a handful of functions are built-in rather than user- defined. This will probably be one of the biggest changes when moving to a usable Type Theory. We can enforce that functions defined by pattern-matching have a fixed arity and are always fully applied at that arity. Such a function is stuck if it is strict in a neutral argument. Some type theories reduce pattern matching to the primitive elimination operator for each datatype. To apply $\nu$-rules, we need to detect which stuck eliminators correspond to which stuck pattern matches. This is the same problem as producing readable output from normalizing open terms, and it has already been solved by the ‘labelled type’ translation used in Epigram, which effectively inserts documentation of stuck pattern matches into spines of stuck eliminators McBride and McKinna [2004]. #### Criteria for $\nu$-rules Working in a setting where the datatypes are given by a universe Chapman et al. [2010], we should at least expect that built-in generic operators, e.g. map, have associated $\nu$-rules. However, it is clearly desirable to allow the programmer to propose $\nu$-rules for programs of her own construction. How will the machine check that proposed $\nu$-rules keep evaluation canonical and judgmental equality consistent and decidable? We have already seen that $\nu$-rules must avoid to emit new constructors; this can be summed up by the mantra: “A $\nu$-rule may restart computation _within_ its contractum but _never_ in its enclosing context”. The candidates for $\nu$-rules should hold trivially by a Boyer-Moore style induction; in other words, the $\beta\delta\iota-\nu$ critical pairs should be convergent. This tells us that these rules are consistent and can be delayed until after evaluation. Obviously, the $\nu-\nu$ critical pairs should also be convergent. These three criteria are all easy to check provided that $\nu$-reductions give rise to a terminating term rewrite system. This termination requirement is the last criterion. As a first instance, a rather conservative approach could be to ask the user for a linear order on defined symbols which we would lift to expressions by using the lexicographic ordering of the encountered defined symbols starting from the “nut” and going outwards. If this ordering is compatible with a left to right orientation of the $\nu$-rules she wants to hold, then it is terminating. In the set of $\nu$-rules used as an example in this paper, the simple ordering $\operatorname{~{}{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`++}}~{}}>\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`map}}}>\operatorname{{\color[rgb]{0,0.88,0}\definecolor[named]{pgfstrokecolor}{rgb}{0,0.88,0}\pgfsys@color@cmyk@stroke{0.91}{0}{0.88}{0.12}\pgfsys@color@cmyk@fill{0.91}{0}{0.88}{0.12}\mathtt{`fold}}}$ is compatible with the rules. ## 7 Further Opportunities for $\nu$-Rules We were motivated to develop a proof technique for extending definitional equality with $\nu$-rules because there are many opportunities where we might profit by doing so. Let us set out a prospectus. #### Reflexive coercion for type-based equality. Altenkirch, McBride and W. Swierstra developed a propositional equality for intensional type theory Altenkirch et al. [2007] which differs from the usual inductive definition ($\mathtt{refl~{}a~{}:~{}a~{}=~{}a}$) in that its main eliminator $\displaystyle\displaystyle{\hbox{\hskip 60.25812pt\vbox{\hbox{\hskip-60.2581pt\hbox{\hbox{$\displaystyle\displaystyle S,T:\mathtt{Set}\quad Q:S=T\quad s:S$}}}\vbox{}}}\over\hbox{\hskip 33.82764pt\vbox{\vbox{}\hbox{\hskip-33.82764pt\hbox{\hbox{$\displaystyle\displaystyle s[Q:S=T\rangle:T$}}}}}}$ computes by structural recursion first on the _types_ $S$ and $T$, and then (where appropriate) on $s$, rather than by pattern matching on the proof $Q$. Equality is still reflexive, so evaluation can leave us with terms $n[\mathtt{refl}\>n:N=N\rangle:N$ where $n$ is a neutral term in a neutral type $N$. It is clearly a nuisance that this term does not compute to $n$, as would happen if the eliminator matched on the proof. The fix is to add a $\nu$-rule which discards coercions whenever it is type-safe to do so: $\framebox{{\raisebox{0.0pt}[5.78172pt][1.4457pt]{\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$s$}}}$[Q:S=T\rangle$}}}=\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$s$}}}\qquad\mbox{if}\;S\equiv T:\mathtt{Set}$ It is easy to check that adding this rule for neutral terms makes it admissible for all terms, and hence that we need add it not to evaluation, but only to the reification process which follows, just as with the $\nu$-rules in this paper. There, as here, this spares the evaluation process from decisions which involve $\eta$-expansion and thus require a name supply. The $\nu$-rule thus gives us a non-disruptive means to respect the full computational behaviour of inductive equality in the observational setting. #### Functor laws. Barral and Soloviev give a treatment of functor laws for parametrized inductive datatypes by modifying the $\iota$-rules of their underlying type theory Barral and Soloviev [2006]. We should very much hope to achieve the same result, as we did here in the special case of lists, just by adding $\nu$-rules. Our preliminary experiments McBride [2010] suggest that we can implement functor laws once and for all in a type theory whose datatypes are given once and for all by a syntactic encoding of strictly positive functors, as Dagand and colleagues propose Chapman et al. [2010]; Dagand and McBride [2012]. Moreover, Luo and Adams have shown Luo and Adams [2008] that structural subtyping for inductive types can be reified by a coherent system of implicit coercions if functor laws hold definitionally. #### Monad laws. Watkins et al. give a definitional treatment of monad laws in order to achieve an adequate representation of concurrent processes encapsulated monadically in a logical framework Watkins et al. [2003]. For straightforward free monads, an experimental extension of Epigram (by Norell, as it happens) McBride [2010] suggests that we may readily allow $\nu$-rules: $\framebox{{\raisebox{0.0pt}[5.78172pt][1.4457pt]{$\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$t$}}}>\\!\\!>\\!\\!=\mathtt{return}$}}}=\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$t$}}}\qquad\framebox{{\raisebox{0.0pt}[7.22743pt][2.8903pt]{$\framebox{{\raisebox{0.0pt}[5.78172pt][1.4457pt]{$(\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$t$}}}>\\!\\!>\\!\\!=\sigma)$}}}>\\!\\!>\\!\\!=\rho$}}}=\framebox{{\raisebox{0.0pt}[5.78172pt][1.4457pt]{$\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$t$}}}>\\!\\!>\\!\\!=((>\\!\\!>\\!\\!=\sigma)\cdot\rho)$}}}$ Atkey’s Foveran system uses a similar normalization method for free monad laws Atkey [2011], again for an encoded universe of underlying functors. #### Decomposing functors. Dagand and colleagues further note that their syntax of descriptions for indexed functors is, by virtue of being a syntax, itself presentable as the free monad of a functor. The description decoder $\mathtt{Decode}:\mathtt{IDesc}\>I\to(I\to\mathtt{Set})\to\mathtt{Set}$ is structurally recursive in the description and lifts pointwise to an interpretation of substitutions in the $\mathtt{IDesc}$ monad $\begin{array}[]{l}\llbracket\\_\rrbracket:(O\to\mathtt{IDesc}\>I)\;\;\to\;\;(I\to\mathtt{Set})\to(O\to\mathtt{Set})\\\ \llbracket\sigma\rrbracket\>X\>o=\mathtt{Decode}\>(\sigma\>o)\>X\end{array}$ as indexed functors with a ‘map’ operation satisfying functor laws. However, not only does this interpretation _deliver_ functors, it is _itself_ a contravariant functor: the identity substitution yields the identity functor just by $\beta\delta\iota$, but we may also interpret Kleisli composition as reverse functor composition $\llbracket(>\\!\\!>\\!\\!=\sigma)\cdot\rho\rrbracket=\llbracket\rho\rrbracket\cdot\llbracket\sigma\rrbracket$ by means of a $\nu$-rule $\framebox{{\raisebox{0.0pt}[7.22743pt][2.8903pt]{Decode~{}\framebox{{\raisebox{0.0pt}[5.78172pt][1.4457pt]{$(\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$D$}}}>\\!\\!>\\!\\!=\sigma)$}}}~{}$X$}}}=\framebox{{\raisebox{0.0pt}[5.78172pt][1.4457pt]{Decode~{}\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$D$}}}~{}$(\llbracket\sigma\rrbracket\>X)$}}}$ taking each $D$ to be some $\rho\>o$. If we want to do a ‘scrap your boilerplate’ style traversal of some described container-like structure, we need merely exhibit the decomposition of the description as some $(>\\!\\!>\\!\\!=\sigma)\cdot\rho$, where $\rho$ describes the invariant superstructures and $\sigma$ the modified substructures, then invoke the functoriality of $\llbracket\rho\rrbracket$. This $\nu$-rule thus lets us expose functoriality over substructures not anticipated by explicit parametrization in datatype declarations. We thus recover the kind of ad-hoc data traversal popularized by Lämmel and Peyton Jones Lämmel and Jones [2003] by static structural means. #### Universe embeddings. A type theory with inductive-recursive definitions is powerful enough to encode universes of dependent types by giving a datatype of codes _in tandem_ with their interpretations Dybjer and Setzer [1999], the paradigmatic example being $\begin{array}[]{@{}l@{\;}|@{\;}l@{}}\mathtt{U}_{1}:\mathtt{Set}&\mathtt{El}_{1}:\mathtt{U}_{1}\to\mathtt{Set}\\\ \mathtt{`Pi}_{1}:(S:\mathtt{U}_{1})\to&\mathtt{El}_{1}\>(\mathtt{`Pi}_{1}\>S\>T)=\\\ \qquad\qquad(\mathtt{El}_{1}\>S\to\mathtt{U}_{1})\to\mathtt{U}_{1}&\;\;(s:\mathtt{El}_{1}\>S)\to\mathtt{El}_{1}\>(T\>s)\\\ \vdots&\vdots\end{array}$ Palmgren Palmgren [1998] suggests that one way to model a cumulative hierarchy of such universes is to give each a code in the next, so $\begin{array}[]{@{}l@{\;}|@{\;}l@{}}\mathtt{U}_{2}:\mathtt{Set}&\mathtt{El}_{2}:\mathtt{U}_{2}\to\mathtt{Set}\\\ \mathtt{`U}_{1}:\mathtt{U}_{2}&\mathtt{El}_{2}\>\mathtt{`U}_{1}=\mathtt{U}_{1}\\\ \mathtt{`Pi}_{2}:(S:\mathtt{U}_{2})\to&\mathtt{El}_{2}\>(\mathtt{`Pi}_{2}\>S\>T)=\\\ \qquad\qquad(\mathtt{El}_{2}\>S\to\mathtt{U}_{2})\to\mathtt{U}_{2}&\;\;(s:\mathtt{El}_{2}\>S)\to\mathtt{El}_{2}\>(T\>s)\\\ \vdots&\vdots\end{array}$ and then define an embedding recursively $\begin{array}[]{l}\uparrow:\mathtt{U}_{1}\to\mathtt{U}_{2}\\\ \uparrow(\mathtt{`Pi}_{1}\>S\>T)=\mathtt{`Pi}_{2}\>(\uparrow S)\>(\lambda s.\>\uparrow(T\>s))\end{array}$ but a small frustration with this proposal is that $s$ is abstracted at type $\mathtt{El}_{2}\>(\uparrow S))$, but used at type $\mathtt{El}_{1}\>S$, and these two types are not definitionally equal for an abstract $S$. One workaround is to make $\uparrow$ a constructor of $\mathtt{U}_{2}$, at the cost of some redundancy of representation, but now we might also consider fixing the discrepancy with a $\nu$-rule $\framebox{{\raisebox{0.0pt}[7.22743pt][2.8903pt]{$\mathtt{El}_{2}\>\framebox{{\raisebox{0.0pt}[5.78172pt][1.4457pt]{$(\uparrow\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$S$}}})$}}})$}}}=\framebox{{\raisebox{0.0pt}[5.78172pt][1.4457pt]{$\mathtt{El}_{1}\>\framebox{{\raisebox{0.0pt}[4.33601pt][0.0pt]{$S$}}}$}}}$ This is peculiar for our examples thus far, in that the $\nu$-rule is needed even to typecheck the $\delta\iota$-rules for $\uparrow$, reflecting the fact that $\uparrow$ should not be any old function from $\mathtt{U}_{1}$ to $\mathtt{U}_{2}$, but rather one which preserves the meanings given by $\mathtt{El}_{1}$ and $\mathtt{El}_{2}$. In effect, the $\nu$-rule is expressing the coherence property of a richer notion of morphism. It is inviting to wonder what other notions of coherence we might enable and enforce by checking that $\nu$-rules hold of the operations we implement. #### Non-examples. A key characteristic of a $\nu$-rule is that it is a nut-preserving rearrangement of neutral term layers. Whilst this is good for associativity and sometimes for distributivity, it is perfectly useless for commutativity. Suppose $+$ for natural numbers is recursive on its first argument, and observe that rewriting $x+y$ to $y+x$ when $x$ is neutral will not result in a neutral term unless $y$ is also neutral. Less ambitious rules such as $x+\mathtt{suc}\>y=\mathtt{suc}\>(x+y)$ and $x*0=0$ similarly make neutral terms come unstuck, and so cannot be postponed until reification if we want to be sure that evaluation suffices to show whether any expression in a datatype can be put into constructor-headed form. Walukiewicz-Chrzaszcz has proposed a more invasive adoption of rewriting for Coq, necessitating a modified evaluator, but incorporating rules which can expose constructors Walukiewicz- Chrzaszcz [2003]. Her untyped rewriting approach sits awkwardly with $\eta$-laws, but we can find a more carefully structured compromise. ## 8 Discussion We fully expect to scale this technology up to type theory. Abel and Dybjer (with Aehlig Abel et al. [2007a] and T. Coquand Abel et al. [2007b]) have already given normalization by evaluation algorithms which we plan to adapt. Finding good criteria for checking that candidate $\nu$-rules can safely be added is of the utmost importance. We want to let the programmer negotiate the new $\nu$-rules she wants, as long as the machine can check that they yield a notion of standard form and lift from neutral terms to all terms by the prior equational theory. It is also interesting to try to integrate $\nu$-rules with more practical presentations of normalization. For instance Grégoire and Leroy’s conversion by compilation to a bytecode machine derived from Ocaml’s ZAM Grégoire and Leroy [2002] decides $\eta$ by expansion only when provoked by a $\lambda$: such laziness is desirable when possible but causes trouble with $\eta$-rules for unit types and may conceal the potential to apply $\nu$-rules. Hereditary substitution Watkins et al. [2003], formalized by Abel Abel [2009] and by Keller and Altenkirch Keller and Altenkirch [2010], may be easier to adapt. ## Acknowledgements We would like to thank the anonymous reviewers for their helpful comments and suggestions as well as Stevan Andjelkovic for carefully reading our draft. ## References * Abel [2009] A. Abel. Implementing a normalizer using sized heterogeneous types. _Journal of Functional Programming_ , 19(3-4):287–310, 2009. * Abel et al. [2007a] A. Abel, K. Aehlig, and P. Dybjer. Normalization by evaluation for Martin-Löf type theory with one universe. _Electr. Notes Theor. Comput. Sci_ , 173:17–39, 2007a. * Abel et al. [2007b] A. Abel, T. Coquand, and P. Dybjer. Normalization by evaluation for Martin-Löf type theory with typed equality judgements. In _LICS_ , pages 3–12. IEEE Computer Society, 2007b. * Ahman [2012] D. Ahman. Computational effects, algebraic theories and normalization by evaluation. Master’s thesis, University of Cambridge, June 2012. * Ahman and Sam [2013] D. Ahman and S. Sam. Normalization by evaluation and algebraic effects. In _29th Conference on Mathematical Foundations of Programming Semantics, MFPS XXIX, New Orleans, LA, June 2013_ , 2013. * Allais [2012] G. Allais. Forge crowbars, Acquire normal forms. Technical report, University of Strathclyde, 2012. URL http://gallais.org/pdf/report2012.pdf. * Allais [2013] G. Allais. Glueing terms to models - variations on nbe. Slides, May 2013. 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In _Proceedings of the 6th ACM SIGPLAN workshop on Generic programming_ , WGP ’10, New York, NY, USA, 2010. ACM. * McBride [2010] C. McBride. EE-PigWeek 4-9 Jan 2010. Blog post, January 2010. URL http://www.e-pig.org/epilogue/?p=306. * McBride and McKinna [2004] C. McBride and J. McKinna. The view from the left. _J. Funct. Program._ , 14(1):69–111, Jan. 2004\. * Norell [2008] U. Norell. Dependently typed programming in Agda. In P. W. M. Koopman, R. Plasmeijer, and S. D. Swierstra, editors, _Advanced Functional Programming_ , volume 5832 of _Lecture Notes in Computer Science_ , pages 230–266. Springer, 2008. * Palmgren [1998] E. Palmgren. On Universes in Type Theory. In G. Sambin and J. Smith, editors, _Twenty Five Years of Constructive Type Theory_. Oxford Univ. Press, 1998. * Pollack [1994] R. Pollack. _The theory of LEGO – a proof checker for the extendend calculus of constructions_. PhD thesis, University of Edinburgh, 1994. * Walukiewicz-Chrzaszcz [2003] D. Walukiewicz-Chrzaszcz. Termination of rewriting in the calculus of constructions. _J. Funct. Program._ , 13(2):339–414, 2003. * Watkins et al. [2003] K. Watkins, I. Cervesato, F. Pfenning, and D. Walker. A concurrent logical framework: The propositional fragment. In S. Berardi, M. Coppo, and F. Damiani, editors, _TYPES_ , volume 3085 of _Lecture Notes in Computer Science_ , pages 355–377. Springer, 2003.
arxiv-papers
2013-04-02T22:55:32
2024-09-04T02:49:43.808325
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Guillaume Allais, Pierre Boutillier, Conor McBride", "submitter": "Guillaume Allais", "url": "https://arxiv.org/abs/1304.0809" }
1304.0899
# Ligth-flavour identified charged-hadron production in pp and Pb–Pb collisions at the LHC Roberto Preghenella for the ALICE Collaboration Centro Studi e Ricerche e Museo Storico della Fisica “Enrico Fermi”, Rome, Italy Sezione INFN, Bologna, Italy [email protected] ###### Abstract Thanks to the unique detector design adopted to fulfill tracking and particle- identification (PID) requirements (e.g. low momentum cut-off and low material budget), the ALICE experiment provides significant information about hadron production both in pp and Pb–Pb collisions. In particular, the $p_{\rm T}$-differential and integrated production yields of identified particles play a key role in the study of the collective and thermal properties of the matter formed in high-energy heavy-ion collisions. Furthermore, the production of high-$p_{\rm T}$ particles provides insights into the property of the hot medium created in such collisions and the in-medium energy-loss mechanisms. Transverse momentum spectra of $\pi^{\pm}$, K±, p and $\bar{\rm p}$ are measured at mid-rapidity ($\left|y\right|~{}<~{}0.5$) over a wide momentum range, from $\sim$ 100 MeV/$c$ up to $\sim$ 20 GeV/$c$. The measurements are performed exploiting the d$E$/d$x$ in silicon and gas, the time-of-flight and the ring-imaging Cherenkov particle-identification techniques, which will be briefly reviewed in this report. The current results on light-flavour charged- hadron production will be presented for pp collisions at $\sqrt{s}$ = 0.9, 2.76 and 7 TeV and for Pb–Pb collisions at $\sqrt{s_{\rm NN}}$ = 2.76 TeV. Integrated production yields, transverse momentum spectra and particle ratios in pp are discussed as a function of the collision energy and compared to previous experiments and commonly-used Monte Carlo models. Pb–Pb collisions at the LHC feature the highest radial flow ever observed and an unexpectedly low p/$\pi$ production ratio. The results are presented as a function of collision centrality and compared to RHIC data in Au–Au collisions at $\sqrt{s_{\rm NN}}$ = 200 GeV and predictions from thermal and hydrodynamic models. The nuclear modification factor ($R_{\rm AA}$) of identified hadrons will also be discussed and compared to unidentified charged particles and theoretical predictions. This is observed to be identical for all particle species at high-$p_{\rm T}$. ## 1 Introduction ALICE (A Large Ion Collider Experiment) is a general-purpose heavy-ion detector at the CERN LHC (Large Hadron Collider). It has been designed in order to fulfill the requirements to track and identify particles from very low ($\sim$100 MeV/$c$) up to quite high ($\sim$100 GeV/$c$) transverse momenta in an environment with large charged-particle multiplicities as in the case of central lead-lead (Pb–Pb) collisions at the LHC. ; Figure 1: Schematic layout of the ALICE detector with its main subsystems. The ALICE experiment, shown in Figure 1, consists of a central-barrel detector and several forward detector systems. The central system covers the mid- rapidity region ($\left|\eta\right|\leq$ 0.9) over the full azimuthal angle. It is installed inside a large solenoidal magnet providing a moderate magnetic field of 0.5 T. It includes a six-layer high-resolution inner-tracking system (ITS), a large-volume time-projection chamber (TPC) and electron and charged- hadron identification detectors which exploit transition-radiation (TRD) and time-of-flight (TOF) techniques, respectively. Small-area systems for high-$p_{\rm T}$ particle-identification (HMPID), photon and neutral-meson measurements (PHOS) and jet reconstruction (EMCal) complement the central barrel. Thanks to these unique features the experiment is able to identify hadrons in a wide momentum range by employing different detection systems and techniques, as discussed in Section 2. The detectors which cover larger rapidity regions include a single-arm muon spectrometer covering the pseudorapidity range -4.0 $\leq\eta\leq$ -2.4 and several smaller detectors (VZERO, TZERO, FMD, ZDC, and PMD) for triggering, multiplicity measurements and centrality determination. A detailed description of the ALICE detector layout and of its subsystems can be found in [1]. Since November 2009 when the first collisions at the LHC occurred, the ALICE experiment has collected proton-proton data at several centre-of-mass energies ($\sqrt{s}$ = 0.9, 2.76, 7 and 8 TeV). During the first two LHC heavy-ion runs, in 2010 and 2011, the detector recorded Pb–Pb collisions at a centre-of- mass energy per nucleon pair of $\sqrt{s_{\rm NN}}$ = 2.76 TeV and could profit from of an integrated luminosity of about 10 $\mu\rm b^{-1}$ and 100 $\mu\rm b^{-1}$, respectively. It is worth stressing the outstanding performance of the LHC complex: the instant luminosity exceeded $10^{26}\rm cm^{-2}s^{-1}$ in the second run, higher than the design value. Proton-lead (p–Pb) collision data were also collected with the ALICE detector. This occurred during a short run performed in September 2012 in preparation for the main p–Pb run at the beginning of 2013. Eight pairs of bunches collided in the ALICE interaction region, providing a luminosity of about $8\times 10^{25}\rm cm^{-2}s^{-1}$. The configuration (4 TeV protons colliding with fully stripped 208Pb ions at $82\times 4$ TeV) resulted in interactions at $\sqrt{s_{\rm NN}}$ = 5.02 TeV in the nucleon-nucleon centre-of-mass system, which moves with a rapidity of $\Delta y_{\rm NN}$ = 0.465. ## 2 Particle identification Figure 2: Energy loss d$E$/d$x$ in the ITS (top-left) and in the TPC (top- right). The continuous curves represent the Bethe-Bloch parametrization. (bottom-left) particle velocity $\beta$ measured with TOF as a function of momentum. (bottom-right) Cherenkov angle measured in the HMPID as a function of the track momentum. Figure 3: Transverse DCA ($DCA_{xy}$) of protons in the range between 0.6 GeV/$c$ and 0.65 GeV/$c$ in 0-5% most central Pb–Pb collisions together with the Monte Carlo templates which are fitted to the data. In this section the main particle-identification (PID) detectors relevant to the analyses presented in this paper are briefly discussed. A detailed review of the ALICE experiment and of its PID capabilities can be found in [2]. The ITS is the innermost detector system, a six-layer silicon detector located at radii between 4 and 43 cm. Four of the six layers provide specific energy loss d$E$/d$x$ measurements and are used for particle identification in the non- relativistic ($1/\beta^{2}$) region. By using the ITS as a standalone tracker it is possible to reconstruct and identify low-momentum particles (below 200 MeV/c) not reaching the main tracking systems (Figure 2 top-left). The TPC is the main central-barrel tracking detector of ALICE. It provides three- dimensional hit information and specific energy-loss measurements with up to 159 samples. With the measured particle momentum and $\langle$d$E$/d$x\rangle$ the particle type can be determined by comparing the measurements with the Bethe-Bloch expectation (Figure 2 top-right). The TOF detector is a large-area array of Multigap Resistive Plate Chambers (MRPC) and covers the central pseudorapidity region ($\left|\eta\right|<$ 0.9, full azimuth). Particle identification is performed by matching momentum and trajectory-length measurements performed by the tracking system with the time-of-flight information provided by the TOF system. The overall time-of-flight resolution is measured to be about 85 ps in Pb–Pb collisions (about 120 ps in pp collisions) and it is determined by the time resolution of the detector itself and by the start-time resolution (Figure 2 bottom-left). The HMPID detector consists of seven identical proximity focusing RICH (Ring Imaging Cherenkov) counters. Photon detection is performed using the proportional multiwire chambers coupled to pad-segmented CsI photocathode. Particle identification is obtained by means of the measurement of the Cherenkov angle allowing the separation of pions and kaons between 1 GeV/$c$ and 3 GeV/$c$ and protons from 1.5 GeV/$c$ up to 5 GeV/$c$ (Figure 2). The transverse momentum spectra of primary $\rm\pi^{\pm}$, $\rm K^{\pm}$, $\rm p$ and $\rm\bar{p}$ are measured at mid-rapidity ($\left|y\right|~{}<~{}0.5$) combining the techniques and detectors described above. Primary particles are defined as prompt particles produced in the collision and all decay daughters, except products from weak decays of strange particles. The contribution from the feed-down of weakly-decaying particles to $\rm\pi^{\pm}$, $\rm p$ and $\rm\bar{p}$ and from protons emitted from secondary interactions with material are subtracted by fitting the data using Monte Carlo templates of the DCA111Distance of Closest Approach to the reconstructed primary vertex. distributions (Figure 3). Particles can also be identified in ALICE via their characteristics decay topology or invariant mass. This, combined with the direct identification of the decay daughters, allows one to reconstruct weakly-decaying particles and hadronic resonances with a good signal-to- background ratio. ## 3 Light-flavour hadron production Figure 4: Transverse momentum distributions of the sum of positive and negative pions, kaons and protons for central Pb–Pb collisions. The results are compared to RHIC data and hydrodynamic models. Figure 5: (left) The thermal fit of ALICE data showing data and model for the best fit. (right) Mid-rapidity particle ratios compared to RHIC results and predictions from thermal models for central Pb–Pb collisions at the LHC. Figure 6: $\rm K/\pi$ (top) and $\rm p/\pi$ production ratio in pp collisions compared with PYTHIA Monte Carlo predictions and NLO calculations. Figure 7: Charged pion, kaon and (anti)proton nuclear modification factor $\rm R_{AA}$ as a function of $p_{\rm T}$ for Pb–Pb collisions at $\sqrt{s_{\rm NN}}$ = 2.76 TeV for centrality 0-5% (left) and 20-40% (right). Statistical (vertical error bars) and systematic (gray and colored boxes) are shown for the charged pion RAA. The gray boxes contains the common systematic error related to pp normalization to INEL and $\rm N_{coll}$. Figure 8: Nuclear modification factor $\rm R_{AA}$ of charged pions compared to the $\rm R_{AA}$ of unidentified charged particles as a function of $p_{\rm T}$ for different centrality classes. Statistical (vertical error bars) and systematic (gray and colored boxes) errors are shown for the charged pions. The colored boxes contain the common systematic uncertainty related to the number of binary collisions and the pp normalization to INEL. Only statistical errors are shown for the unidentified charged $\rm R_{AA}$. Figure 9: Proton-to-pion ratio in Pb–Pb collisions compared with pp results at 2.76 TeV in several centrality bins. In Pb–Pb the statistical and systematic uncertainties are displayed as error bars and gray bands, respectively. In pp the systematic uncertainty is displayed in black squares. Figure 10: (left) Proton-to-pion ratio in Pb–Pb collisions in several centrality bins compared with pp results at 2.76 TeV. (right) Proton-to-pion ratio in central Pb–Pb collisions compared with models. ALICE has measured the production yields of primary charged pions, kaon and (anti)protons in a wide momentum range and in several colliding systems. The measurements have been performed in proton-proton collisions at several centre-of-mass energies ($\sqrt{s}$ = 0.9, 2.76 and 7 TeV) and in Pb–Pb collisions at $\sqrt{s_{\rm NN}}$ = 2.76 TeV as a function of collision centrality. In Pb–Pb collisions the transverse momentum $p_{\rm T}$ distributions and yields are compared to previous results at RHIC and expectations from hydrodynamic and thermal model. The results obtained for central Pb–Pb collisions are shown in Figure 4 and 5. The spectral shapes are harder than those observed at RHIC, indicating an increase of the radial flow velocity with the centre-of-mass energy. The radial flow at the LHC is found to be about 10% higher than at RHIC energy. The hydrodynamic models shown in Figure 4 give for central collisions a fair description of the data, describing the experimental spectra within ∼20%. This supports a hydrodynamic interpretation of the transverse momentum distribution in central collisions at the LHC. Further details of this anaysis and the models used to compare with the data can be found in [5]. While the K/$\pi$ integrated production ratio is observed to be in line with lower energy measurements and predictions from the thermal model, both the p/$\pi$ and the $\Lambda/\pi$ ratios are lower than those at RHIC and significantly lower (a factor $\sim$ 1.5 and 1.35, respectively) than predictions. A possible explanation of these deviations from the thermal-model predictions may be re-interactions in the hadronic phase due to large cross sections for antibaryon-baryon annihilation [6, 7, 8]. The $p_{\rm T}$-dependent yield of charged kaons and protons normalized to charged pions are shown in Figure 6 for pp collisions at $\sqrt{s}$ = 2.76 and 7 TeV where they are compared with theoretical model predictions. Within the experimental uncertainties no energy dependence is observed in the data. The observed production ratios are not reproduced by NLO calculations [9]. PYTHIA Monte Carlo generator [10] underpredicts the proton-to-pion ratio at intermediate $p_{\rm T}$. Pion, kaon and (anti)proton production in Pb–Pb collisions have been compared to that in pp collisions and all show a suppression pattern which is similar to that of inclusive charged hadrons at high momenta ($p_{\rm T}$ above $\simeq$ 10 GeV/$c$), as shown in Figure 7 and 8 [11]. This seems to suggest that the dense medium formed in Pb–Pb collisions does not affect the fragmentation. A similar conclusion can be drawn from the proton-to-pion ratio measured in Pb–Pb collisions (Figure 9 and 10): for intermediate momenta (3–7 GeV/$c$) it exibits a relatively strong enhancement, by a factor of 3 compared to that in pp collisions at $p_{\rm T}\approx$ 3 GeV/$c$ and returns to the value in pp collisions at higher momenta ($p_{\rm T}$ above $\simeq$ 10 GeV/$c$) [11]. A similar observation was also reported for the $\rm\Lambda/K^{0}_{s}$ ratio and possible explanations have been proposed which include particle production via quark recombination [12]. ## 4 Transverse momentum distribution in proton-lead collisions Particle production in proton-lead (p–Pb) collisions allows one to study and understand QCD at low parton fractional momentum $x$ and high gluon density. It is moreover expected to be sensitive to nuclear effects in the initial state. For this reason p–Pb measurements provide an essential reference tool to discriminate between initial and final state effects and they are crucial for the studies and the understanding of deconfined matter created in nucleus- nucleus collisions. Figure 11: The nuclear modification factor of charged particles as a function of transverse momentum in NSD p–Pb collisions at $\sqrt{s_{\rm NN}}$ = 5.02 TeV compared to measurements in central (0-5%) and peripheral (70-80%) Pb–Pb collisions at $\sqrt{s_{\rm NN}}$ = 2.76 TeV. The measurement of the transverse momentum $p_{\rm T}$ distributions of charged particle in p–Pb collisions were reported already in [13]. It was previously shown that the production of charged hadrons in central Pb–Pb collisions at the LHC is strongly suppressed [14, 15]. The suppression remains substantial up to 100 GeV/$c$ and is also seen in reconstructed jets [16]. Proton-lead collisions provide a control experiment to clearly establish whether the initial state of the colliding nuclei plays a role in the observed high-$p_{\rm T}$ hadron production in Pb–Pb collisions. In order to quantify nuclear effects, the $p_{\rm T}$-differential yield relative to the proton- proton reference, the so-called nuclear modification factor, is calculated. The nuclear modification factor is expected to be unity for hard processes which exhibit binary collision scaling. This has been recently confirmed in Pb–Pb collisions at the LHC by the measurements of direct photon [17], Z0 [18] and W± [19], observables which are not affected by hot QCD matter. In Figure 11 the measurement of the nuclear modification factor in p–Pb collisions RpPb is compared to that in central (0-5% centrality) and peripheral (70–80%) Pb–Pb collisions RPbPb. RpPb is observed to be consistent with unity for transverse momenta higher than about 2 GeV/$c$. This important measurement demonstrates that the strong suppression observed in central Pb–Pb collisions at the LHC is not due to an initial-state effect, but it is a final state effect related to the hot matter created in high-energy heavy-ion reactions. ## 5 Summary and conclusions ALICE has obtained so far a wealth of physics results both from the analysis of proton-proton collision data and from the first two LHC heavy-ion runs. The transverse momentum spectra of $\pi^{\pm}$, $K^{\pm}$, $p$ and $\bar{p}$ have been measured with ALICE in several colliding systems and energies at the LHC demonstrating the excellent PID capabilities of the experiment. Data in pp collisions show no evident $\sqrt{s}$ dependence in hadron production ratios. In Pb–Pb collisions $\bar{p}/\pi^{-}$ integrated ratio is significantly lower than statistical model predictions with a chemical freeze-out temperature $T_{ch}\simeq 160-170$ MeV. The average transverse momenta and the transverse momentum spectra indicate a $\sim$10% stronger radial flow than at RHIC energies. In the intermediate transverse momentum $p_{\rm T}$ region, an enhancement of the baryon-to-meson ratio is observed. The maximum of the ratio is shifted to higher $p_{\rm T}$ with respect to RHIC measurements. The results of the measurements of charged pion, kaon, protons and antiproton production at high $p_{\rm T}$ were also presented. The nuclear modification factors for these species are similar in magnitude, suggesting that the medium does not significantly affect fragmentation. First results from a short pilot run with proton-lead beams have been also reported. The measurement of the charged-particle transverse momentum $p_{\rm T}$ spectra and nuclear modification factor in p–Pb collisions at $\sqrt{s_{\rm NN}}$ = 5.02 TeV, covering 0.5 $<p_{\rm T}<$ 20 GeV/$c$, show a nuclear modification factor consistent with unity for $p_{\rm T}>$ 2 GeV/c. This measurement indicates that the strong suppression of hadron production at high $p_{\rm T}$ observed at the LHC in Pb–Pb collisions is not due to an initial-state effect, but is the fingerprint of jet quenching in hot QCD matter. ## References ## References * [1] K. Aamodt et al. [ALICE Collaboration], “The ALICE experiment at the CERN LHC”, JINST 3 (2008) S08002. * [2] G. Alessandro, (Ed.) et al. [ALICE Collaboration], “ALICE: Physics performance report, volume II”, J. Phys. G 32 (2006) 1295. * [3] B. Abelev et al. [ALICE Collaboration], “Pseudorapidity density of charged particles $p$-Pb collisions at $\sqrt{s_{NN}}=5.02$ TeV”, arXiv:1210.3615 [nucl-ex]. * [4] B. Alver, M. Baker, C. Loizides and P. Steinberg, “The PHOBOS Glauber Monte Carlo”, arXiv:0805.4411 [nucl-ex]. * [5] B. Abelev et al. [ALICE Collaboration], “Pion, Kaon, and Proton Production in Central Pb–Pb Collisions at $\sqrt{s_{NN}}=2.76$ TeV”, Phys. Rev. Lett. 109 (2012) 252301 [arXiv:1208.1974 [hep-ex]]. * [6] J. Steinheimer, J. Aichelin and M. Bleicher, “Non-thermal $p/\pi$ ratio at LHC as a consequence of hadronic final state interactions”, arXiv:1203.5302 [nucl-th]. * [7] F. Becattini, M. Bleicher, T. Kollegger, M. Mitrovski, T. Schuster and R. Stock, “Hadronization and Hadronic Freeze-Out in Relativistic Nuclear Collisions”, Phys. Rev. C 85 (2012) 044921 [arXiv:1201.6349 [nucl-th]]. * [8] Y. Pan and S. Pratt, “Baryon Annihilation in Heavy Ion Collisions”, arXiv:1210.1577 [nucl-th]. * [9] R. Sassot, P. Zurita and M. Stratmann, “Inclusive Hadron Production in the CERN-LHC Era”, Phys. Rev. D 82 (2010) 074011 [arXiv:1008.0540 [hep-ph]]. * [10] P. Z. Skands, Phys. Rev. D 82 (2010) 074018 [arXiv:1005.3457 [hep-ph]]. * [11] A. Ortiz Velasquez [ALICE Collaboration], “Production of pions, kaons and protons at high $p_{T}$ in $\sqrt{s_{NN}}=2.76$ TeV Pb-Pb collisions”, arXiv:1210.6995 [hep-ex]. * [12] R. J. Fries, B. Muller, C. Nonaka and S. A. Bass, “Hadronization in heavy ion collisions: Recombination and fragmentation of partons”, Phys. Rev. Lett. 90 (2003) 202303 [nucl-th/0301087]. * [13] B. Abelev et al. [ALICE Collaboration], “Transverse Momentum Distribution and Nuclear Modification Factor of Charged Particles in $p$-Pb Collisions at $\sqrt{s_{NN}}=5.02$ TeV”, arXiv:1210.4520 [nucl-ex]. * [14] K. Aamodt et al. [ALICE Collaboration], “Suppression of Charged Particle Production at Large Transverse Momentum in Central Pb–Pb Collisions at $\sqrt{s_{NN}}=2.76$ TeV”, Phys. Lett. B 696 (2011) 30 [arXiv:1012.1004 [nucl-ex]]. * [15] B. Abelev et al. [ALICE Collaboration], “Centrality Dependence of Charged Particle Production at Large Transverse Momentum in Pb–Pb Collisions at $\sqrt{s_{\rm{NN}}}=2.76$ TeV”, [arXiv:1208.2711 [hep-ex]]. * [16] G. Aad et al. [ATLAS Collaboration], “Measurement of the jet radius and transverse momentum dependence of inclusive jet suppression in lead-lead collisions at $\sqrt{s_{NN}}=2.76$ TeV with the ATLAS detector”, arXiv:1208.1967 [hep-ex]. * [17] S. Chatrchyan et al. [CMS Collaboration], “Measurement of isolated photon production in $pp$ and PbPb collisions at $\sqrt{s_{NN}}=2.76$ TeV”, Phys. Lett. B 710 (2012) 256 [arXiv:1201.3093 [nucl-ex]]. * [18] S. Chatrchyan et al. [CMS Collaboration], “Study of Z boson production in PbPb collisions at nucleon-nucleon centre of mass energy = 2.76 TeV”, Phys. Rev. Lett. 106 (2011) 212301 [arXiv:1102.5435 [nucl-ex]]. * [19] S. Chatrchyan et al. [CMS Collaboration], “Study of $W$ boson production in PbPb and $pp$ collisions at $\sqrt{s_{NN}}=2.76$ TeV”, Phys. Lett. B 715 (2012) 66 [arXiv:1205.6334 [nucl-ex]].
arxiv-papers
2013-04-03T10:10:33
2024-09-04T02:49:43.825827
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Roberto Preghenella (for the ALICE Collaboration)", "submitter": "Roberto Preghenella", "url": "https://arxiv.org/abs/1304.0899" }
1304.1000
# Passages in Graphs W.M.P. van der Aalst Department of Mathematics and Computer Science, Technische Universiteit Eindhoven, The Netherlands. BPM Discipline, Queensland University of Technology, GPO Box 2434, Brisbane QLD 4001, Australia. WWW: www.vdaalst.com, E-mail: [email protected] ###### Abstract Directed graphs can be partitioned in so-called _passages_. A passage $P$ is a set of edges such that any two edges sharing the same initial vertex or sharing the same terminal vertex are both inside $P$ or are both outside of $P$. Passages were first identified in the context of process mining where they are used to successfully decompose process discovery and conformance checking problems. In this article, we examine the properties of passages. We will show that passages are closed under set operators such as union, intersection and difference. Moreover, any passage is composed of so-called minimal passages. These properties can be exploited when decomposing graph- based analysis and computation problems. ###### keywords: Directed graphs , Process modeling , Decomposition ††journal: ## 1 Introduction Recently, the notion of _passages_ was introduced in the context of process mining [2]. There it was used to decompose process discovery and conformance checking problems [1]. Any directed graph can be partitioned into a collection of non-overlapping passages. Analysis can be done per passage and the results can be combined easily, e.g., for conformance checking a process model can be decomposed into process fragments using passages and traces in the event log fit the overall model if and only if they fit all process fragments. As shown in this article, passages have various elegant problems. Although the notion of passages is very simple, we could not find this graph notion in existing literature on (directed) graphs [3, 6]. Classical graph partitioning approaches [7, 8] decompose the vertices of a graph rather than the edges, i.e., the goal there is to decompose the graph in smaller components of similar size that have few connecting edges. Some of these notions have been extended to vertex-cut graph partitioning [5, 9]. However, these existing notions are not applicable in our problem setting where components need to behave synchronously and splits and joins cannot be partitioned. We use passages to _decompose a graph into sets of edges such that all edges sharing an initial vertex or terminal vertex are in the same set_. To the best of our knowledge, the notion of passages has not been studied before. However, we believe that this notion can be applied in various domains (other than process mining). Therefore, we elaborate on the foundational properties of passages. The remainder is organized as follows. In Section 2 we define the notion of passages, provide alternative characterizations, and discuss elementary properties. Section 3 shows that any graph can be partitioned into passages and that any passage is composed of so-called minimal passages. Section 4 introduces passage graphs visualizing the relations between passages. Graphs may be partitioned in different ways. Therefore, Section 5 discusses the quality of passage partitionings. Section 6 concludes this article. ## 2 Defining Passages Passages are defined on directed graphs, simply referred to as graphs. ###### Definition 1 (Graph) A (directed) graph is a pair $G=(V,E)$ composed of a set of vertices $V$ and a set of edges $E\subseteq V\times V$. Figure 1: Graph $G_{1}$ with 9 vertices, 12 edges, and 32 passages. A passage is a set of edges such that any two edges sharing the same initial vertex (tail) or sharing the same terminal vertex (head) are both inside or both outside of the passage. For example, $\\{(a,b),(a,c)\\}$ is a passage in graph $G_{1}$ shown in Figure 1 because there are no other edges having $a$ as initial vertex or $b$ or $c$ as terminal vertex. ###### Definition 2 (Passage) Let $G=(V,E)$ be a graph. $P\subseteq E$ is a passage if for any $(x,y)\in P$ and $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq E$: $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P$. $\mathit{pas}(G)$ is the set of all passages of $G$. Figure 2 shows 7 of the 32 passages of graph $G_{1}$ shown in Figure 1. $P_{2}=\\{(b,e),(b,f),(c,f),(c,d),(d,d),(d,f)\\}$ is a passage as there are no other edges having $b$, $c$, or $d$ as initial vertex or $d$, $e$, or $f$ as terminal vertex. Figure 2 does not show the two trivial passages: $\emptyset$ (no edges) and $E$ (all edges). Figure 2: Seven example passages of graph $G_{1}$ shown in Figure 1. ###### Lemma 1 (Trivial Passages) Let $G=(V,E)$ be a graph. The _empty passage_ $\emptyset$ and the _full passage_ $E$ are trivial passages of $G$. Formally: $\\{\emptyset,E\\}\subseteq\mathit{pas}(G)$ for any $G$. Some of the passages in Figure 2 are overlapping: $P_{6}=P_{3}\cup P_{4}\cup P_{5}$ and $P_{7}=P_{1}\cup P_{3}\cup P_{4}$. To combine passages into new passages and to reason about the properties of passages we define the following notations. ###### Definition 3 (Passage Operators) Let $G=(V,E)$ be a graph with $P,P_{1},P_{2}\subseteq E$. $P_{1}\cup P_{2}$, $P_{1}\cap P_{2}$, $P_{1}\setminus P_{2}$, $P_{1}=P_{2}$, $P_{1}\neq P_{2}$, $P_{1}\subseteq P_{2}$, and $P_{1}\subset P_{2}$ are defined as usual. $\pi_{1}(P)=\\{x\mid(x,y)\in P\\}$ are the initial vertices of $P$, $\pi_{2}(P)=\\{y\mid(x,y)\in P\\}$ are the terminal vertices of $P$, $P_{1}\\#P_{2}$ if and only if $P_{1}\cap P_{2}=\emptyset$, $P_{1}\triangleright P_{2}$ if and only if $\pi_{2}(P_{1})\cap\pi_{1}(P_{2})\neq\emptyset$. Note that $d$ is both an initial and terminal vertex of $P_{2}$ in Figure 2: $\pi_{1}(P_{2})=\\{b,c,d\\}$ and $\pi_{2}(P_{2})=\\{d,e,f\\}$. $P_{5}\\#P_{7}$ because $P_{5}\cap P_{7}=\emptyset$. $P_{4}\triangleright P_{5}$ because $\pi_{2}(P_{4})\cap\pi_{1}(P_{5})=\\{h\\}\neq\emptyset$. The union, intersection and difference of passages yield passages. For example, $P_{7}=P_{1}\cup P_{3}\cup P_{4}$ is a passage composed of three smaller passages. $P_{5}=P_{6}\setminus P_{7}$ and $P_{6}\cap P_{7}=P_{3}\cup P_{4}$ are passages. ###### Lemma 2 (Passages Are Closed under $\cup$, $\cap$ and $\setminus$) Let $G=(V,E)$ be a graph. If $P_{1},P_{2}\in\mathit{pas}(G)$ are two passages, then $P_{1}\cup P_{2}$, $P_{1}\cap P_{2}$, and $P_{1}\setminus P_{2}$ are also passages. ###### Proof 1 Let $P_{1},P_{2}\in\mathit{pas}(G)$, $(x,y)\in P_{1}\cup P_{2}$, and $\\{(x,y^{\prime}),\allowbreak(x^{\prime},y)\\}\subseteq E$. We need to show that $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{1}\cup P_{2}$. If $(x,y)\in P_{1}$, then $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{1}\subseteq P_{1}\cup P_{2}$. If $(x,y)\in P_{2}$, then $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{2}\subseteq P_{1}\cup P_{2}$. Let $P_{1},P_{2}\in\mathit{pas}(G)$, $(x,y)\in P_{1}\cap P_{2}$, and $\\{(x,y^{\prime}),\allowbreak(x^{\prime},y)\\}\subseteq E$. We need to show that $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{1}\cap P_{2}$. Since $(x,y)\in P_{1}$, $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{1}$. Since $(x,y)\in P_{2}$, $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{2}$. Hence, $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{1}\cap P_{2}$. Let $P_{1},P_{2}\in\mathit{pas}(G)$, $(x,y)\in P_{1}\setminus P_{2}$, and $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq E$. We need to show that $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{1}\setminus P_{2}$. Since $(x,y)\in P_{1}$, $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{1}$. Since $(x,y)\not\in P_{2}$, $\\{(x,y^{\prime}),(x^{\prime},y)\\}\cap P_{2}=\emptyset$. Hence, $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq P_{1}\setminus P_{2}$. A passage is fully characterized by both the set of initial vertices and the set of terminal vertices. Therefore, the following properties hold. ###### Lemma 3 (Passage Properties) Let $G=(V,E)$ be a graph. For any $P_{1},P_{2}\in\mathit{pas}(G)$: * 1. $\pi_{1}(P_{1})=\pi_{1}(P_{2})\ \Leftrightarrow\ P_{1}=P_{2}\ \Leftrightarrow\ \pi_{2}(P_{1})=\pi_{2}(P_{2})$, * 2. $P_{1}\\#P_{2}\ \Leftrightarrow\ \pi_{1}(P_{1})\cap\pi_{1}(P_{2})=\emptyset$, and * 3. $P_{1}\\#P_{2}\ \Leftrightarrow\ \pi_{2}(P_{1})\cap\pi_{2}(P_{2})=\emptyset$. ###### Proof 2 $X=\pi_{1}(P)$ implies $P=\\{(x,y)\in E\mid x\in X\\}$ (definition of passages). Hence, $\pi_{1}(P_{1})=\pi_{1}(P_{2})\ \Rightarrow\ P_{1}=P_{2}$ (because a passage $P$ is fully determined by $\pi_{1}(P)$). The other direction ($\Leftarrow$) holds trivially. A passage $P$ is also fully determined by $\pi_{2}(P)$. Hence, $\pi_{2}(P_{1})=\pi_{2}(P_{2})\ \Rightarrow\ P_{1}=P_{2}$. Again the other direction ($\Leftarrow$) holds trivially. The second property follows from the observation that two passages share an edge if and only if the initial vertices overlap. If two passages share an edge $(x,y)$, they also share initial vertex $x$. If two passage share initial vertex $x$, then they also share some edges $(x,y)$. Due to symmetry, the same holds for the third property. The following lemma shows that a passage can be viewed as a fixpoint: $P=((\pi_{1}(P)\times V)\cup(V\times\pi_{2}(P)))\cap E$. This property will be used to construct minimal passages. ###### Lemma 4 (Another Passage Characterization) Let $G=(V,E)$ be a graph. $P\subseteq E$ is a passage if and only if $P=((\pi_{1}(P)\times V)\cup(V\times\pi_{2}(P)))\cap E$. ###### Proof 3 Suppose $P$ is a passage: it is fully characterized by $\pi_{1}(P)$ and $\pi_{2}(P)$. Take all edges leaving from $\pi_{1}(P)$: $P=(\pi_{1}(P)\times V)\cap E$. Take all edges entering $\pi_{2}(P)$: $P=(V\times\pi_{2}(P))\cap E$. Hence, $P=(\pi_{1}(P)\times V)\cap E=(V\times\pi_{2}(P))\cap E$. So, $P=((\pi_{1}(P)\times V)\cup(V\times\pi_{2}(P)))\cap E$. Suppose $P=((\pi_{1}(P)\times V)\cup(V\times\pi_{2}(P)))\cap E$. Let $(x,y)\in P$ and $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq E$. Clearly, $(x,y^{\prime})\in(\pi_{1}(P)\times V)\cap E$ and $(x^{\prime},y)\in(V\times\pi_{2}(P))\cap E$. Hence, $\\{(x,y^{\prime}),(x^{\prime},y)\\}\subseteq((\pi_{1}(P)\times V)\cup(V\times\pi_{2}(P)))\cap E=P$. ## 3 Passage Partitioning After introducing the notion of passages and their properties, we now show that graph can be _partitioned_ using passages. For example, the set of passages $\\{P_{1},P_{2},P_{3},P_{4},\allowbreak P_{5}\\}$ in Figure 2 partitions $G_{1}$. Other passage partitionings for graph $G_{1}$ are $\\{P_{2},P_{5},P_{7}\\}$ and $\\{P_{1},P_{2},P_{6}\\}$. ###### Definition 4 (Passage Partitioning) Let $G=(V,E)$ be a graph. ${\cal P}=\\{P_{1},P_{2},\ldots,P_{n}\\}\subseteq\mathit{pas}(G)\setminus\\{\emptyset\\}$ is a _passage partitioning_ if and only if $\bigcup{\cal P}=E$ and $\forall_{1\leq i<j\leq n}\ \allowbreak P_{i}\\#P_{j}$. Any passage partitioning ${\cal P}$ defines an equivalence relation on the set of edges. For $e_{1},e_{2}\in E$, $e_{1}\sim_{{\cal P}}e_{2}$ if there exists a $P\in{\cal P}$ with $\\{e_{1},e_{2}\\}\subseteq P$. ###### Lemma 5 (Equivalence Relation) Let $G\allowbreak=(V,E)$ be a graph with passage partitioning ${\cal P}$. $\sim_{\cal P}$ defines an equivalence relation. ###### Proof 4 We need to prove that $\sim_{\cal P}$ is reflexive, symmetric, and transitive. Let $e,e^{\prime},e^{\prime\prime}\in E$. Clearly, $e\sim_{\cal P}e$ because $e\in E=\bigcup{\cal P}$ (${\cal P}$ is a passage partitioning). Hence, there must be a $P\in{\cal P}$ with $e\in{\cal P}$ (reflexivity). If $e\sim_{\cal P}e^{\prime}$, then $e^{\prime}\sim_{\cal P}e$ (symmetry). If $e\sim_{\cal P}e^{\prime}$ and $e^{\prime}\sim_{\cal P}e^{\prime\prime}$, then there must be a $P\in{\cal P}$ such that $\\{e_{1},e_{2},e_{3}\\}\subseteq P$. Hence, $e\sim_{\cal P}e^{\prime\prime}$ (transitivity). Any graph has a passage partitioning, e.g., $\\{E\\}$ is always a valid passage partitioning. However, to decompose analysis one is typically interested in partitioning the graph in as many passages as possible. Therefore, we introduce the notion of a _minimal_ passage. Passage $P_{6}$ in Figure 2 is not minimal because it contains smaller non-empty passages: $P_{3}$, $P_{4}$, and $P_{5}$. Passage $P_{7}$ is also not minimal. Only the first five passages in Figure 2 ($P_{1}$, $P_{2}$, $P_{3}$, $P_{4}$ and $P_{5}$) are minimal. ###### Definition 5 (Minimal Passages) Let $G=(V,E)$ be a graph and $P\in\mathit{pas}(G)$ a passage. $P$ is minimal if and only if there is no non-empty passage $P^{\prime}\in\mathit{pas}(G)\setminus\\{\emptyset\\}$ such that $P^{\prime}\subset P$. $\mathit{pas}_{\mathit{min}}(G)$ is the set of all non- empty minimal passages. Two different minimal passages cannot share the same edge. Otherwise, the difference between both passages would yield a smaller non-empty minimal passage. Hence, an edge can be used to uniquely identify a minimal passage. The fixpoint characterization given in Lemma 4 suggests an iterative procedure that starts with a single edge. In each iteration edges are added that must be part of the same minimal passage. As shown this procedure can be used to determine all minimal passages. ###### Lemma 6 (Constructing Minimal Passages) Let $G\allowbreak=(V,E)$ be a graph. For any $(x,y)\in E$, there exists precisely one minimal passage $P_{(x,y)}\in\mathit{pas}_{\mathit{min}}(G)$ such that $(x,y)\in P_{(x,y)}$. ###### Proof 5 Initially, set $P:=\\{(x,y)\\}$. Extend $P$ as follows: $P:=((\pi_{1}(P)\times V)\cup(V\times\pi_{2}(P)))\cap E$. Repeat extending $P$ until it does not change anymore. Finally, return $P_{(x,y)}=P$. The procedure ends because the number of edges is finite. If $P=((\pi_{1}(P)\times V)\cup(V\times\pi_{2}(P)))\cap E$ (i.e., $P$ does not change anymore), then $P$ is indeed a passage (see Lemma 4). $P$ is minimal because no unnecessary edges are added: if $(x,y)\in P$, then any edge starting in $x$ or ending in $y$ has to be included. To prove the latter one can also consider all passages ${\cal P}=\\{P_{1},P_{2},\ldots,P_{n}\\}$ that contain $(x,y)$. The intersection of all such passages $\bigcap{\cal P}$ contains edge $(x,y)$ and is again a passage because of Lemma 2. Hence, $\bigcap{\cal P}=P_{(x,y)}$. The construction described in the proof can be used compute all minimal passages and is quadratic in the number of edges. $\mathit{pas}_{\mathit{min}}(G_{1})=\\{P_{1},P_{2},P_{3},P_{4},P_{5}\\}$ for the graph shown in Figure 1. This is also a passage partitioning. (Note that the construction in Lemma 6 is similar to the computation of so-called clusters in a Petri net [4].) ###### Theorem 1 (Minimal Passage Partitioning) Let $G\allowbreak=\allowbreak(V,E)$ be a graph. $\mathit{pas}_{\mathit{min}}(G)$ is a passage partitioning. ###### Proof 6 Let $\mathit{pas}_{\mathit{min}}(G)=\\{P_{1},P_{2},\ldots,P_{n}\\}$. Clearly, $\\{P_{1},\allowbreak P_{2},\ldots,P_{n}\\}\subseteq\mathit{pas}(G)\setminus\\{\emptyset\\}$, $\bigcup_{1\leq i\leq n}P_{i}=E$ and $\forall_{1\leq i<j\leq n}\ \allowbreak P_{i}\\#P_{j}$ (follows from Lemma 6). Figure 3 shows a larger graph $G_{2}=(V_{2},E_{2})$ with $V_{2}=\\{a,b,\ldots,o\\}$ and $E_{2}=\\{(a,b),(b,e),\ldots,(n,o)\\}$. The figure also shows six passages. These form a passage partitioning. Each edge has a number that refers to the corresponding passage, e.g., edge $(h,k)$ is part of passage $P_{4}$. Passages are shown as rectangles and vertices are put on the boundaries of at most two passages. Vertex $a$ in Figure 3 is on the boundary of $P_{1}$ because $(a,b)\in P_{1}$. Vertex $b$ is on the boundary of $P_{1}$ and $P_{2}$ because $(a,b)\in P_{1}$ and $(b,e)\in P_{2}$. $G_{2}$ has no isolated vertices, so all vertices are on the boundary of at least one passage. Figure 3: A passage partitioning for graph $G_{2}$. The passage partitioning shown in Figure 3 is not composed of minimal passages as is indicated by the two dashed lines. Both $P_{1}$ and $P_{6}$ are not minimal. $P_{1}$ can be split into minimal passages $P_{1a}=\\{(a,b)\\}$ and $P_{1b}=\\{(c,d)\\}$. $P_{6}$ can be split into minimal passages $P_{6a}=\\{(m,l)\\}$ and $P_{6b}=\\{(n,o),(n,m)\\}$. In fact, as shown next, any passage can be decomposed into minimal non-empty passages. ###### Theorem 2 (Composing Minimal Passages) Let $G=(V,E)$ be a graph. For any passage $P\in\mathit{pas}(G)$ there is a set of minimal non-empty passages $\\{P_{1},P_{2},\ldots,P_{n}\\}\subseteq\mathit{pas}_{\mathit{min}}(G)$ such that $\bigcup_{1\leq i\leq n}P_{i}=P$ and $\forall_{1\leq i<j\leq n}\ P_{i}\\#P_{j}$. ###### Proof 7 Let $\\{P_{1},P_{2},\ldots,P_{n}\\}=\\{P_{(x,y)}\mid(x,y)\in P\\}$. These passages are minimal (Lemma 6) and also cover all edges in $P$. Moreover, two different minimal passages cannot share edges. A graph without edges has only one passage. Hence, if $E=\emptyset$, then $\mathit{pas}(G)=\\{\emptyset\\}$ (just one passage), $\mathit{pas}_{\mathit{min}}(G)=\emptyset$ (no minimal non-empty passages), and $\emptyset$ is the only passage partitioning. If $E\neq\emptyset$, then there is always a trivial singleton passage partitioning $\\{E\\}$ and a minimal passage partitioning $\mathit{pas}_{\mathit{min}}(G)$ (but there may be many more). ###### Lemma 7 (Number of Passages) Let $G=(V,E)$ be a graph with $k=|\mathit{pas}_{\mathit{min}}(G)|$ minimal non-empty passages. There are $2^{k}$ passages and $B_{k}$ passage partitionings.111$B_{k}$ is the $k$-th Bell number (the number of partitions of a set of size $k$), e.g., $B_{3}=5$, $B_{4}=15$, and $B_{5}=52$ [10]. For any passage partitioning $\\{P_{1},P_{2},\ldots,P_{n}\\}$ of $G$: $n\leq k\leq|E|$. ###### Proof 8 Any passage can be composed of minimal non-empty passages. Hence, there are $2^{k}$ passages. $B_{k}$ is the number of partitions of a set with $k$ members, thus corresponding to the number of passage partitionings. If there are no edges, there are no minimal non-empty passages ($k=0$) and there is only one possible passage partitioning: $\emptyset$. Hence, $n=0$. If $E\neq\emptyset$, then $\mathit{pas}_{\mathit{min}}(G)$ is the most refined passage partitioning. There are at most $|E|$ minimal non-empty passages as they cannot share edges. Hence, $n\leq k\leq|E|$. Note that $n\geq 1$ if $E\neq\emptyset$. Graph $G_{2}$ in Figure 3 has $2^{8}=256$ passages and $B_{8}=4140$ passage partitionings. ## 4 Passage Graphs Passage partitionings can be visualized using _passage graphs_. To relate passages, we first define the input/output vertices of a passage. ###### Definition 6 (Input and Output Vertices) Let $G=(V,E)$ be a graph and $P\in\mathit{pas}(G)$ a passage. $\mathit{in}(P)=\pi_{1}(P)\setminus\pi_{2}(P)$ are the input vertices of $P$, $\mathit{out}(P)=\pi_{2}(P)\setminus\pi_{1}(P)$ are the output vertices of $P$, and $\mathit{io}(P)=\pi_{1}(P)\cap\pi_{2}(P)$ are the input/output vertices of $P$. Note the difference between input, output, and input/output vertices on the one hand and the initial and terminal vertices of a passage on the other hand. Given a passage partitioning, there are five types of vertices: isolated vertices, input vertices, output vertices, connecting vertices, and local vertices. ###### Definition 7 (Five Types of Vertices) Let $G=(V,E)$ be a graph and ${\cal P}=\\{P_{1},P_{2},\ldots,P_{n}\\}$ a passage partitioning. $V_{\mathit{iso}}=V\setminus(\pi_{1}(E)\cup\pi_{2}(E))$ are the isolated vertices of ${\cal P}$, $V_{\mathit{in}}=\pi_{1}(E)\setminus\pi_{2}(E)$ are the input vertices of ${\cal P}$, $V_{\mathit{out}}=\pi_{2}(E)\setminus\pi_{1}(E)$ are the output vertices of ${\cal P}$, $V_{\mathit{con}}=\bigcup_{i\neq j}\pi_{2}(P_{i})\cap\pi_{1}(P_{j})$ are the connecting vertices of ${\cal P}$, $V_{\mathit{loc}}=\bigcup_{i}\pi_{1}(P_{i})\cap\pi_{2}(P_{i})$ are the local vertices of ${\cal P}$. Note that $V=V_{\mathit{iso}}\cup V_{\mathit{in}}\cup V_{\mathit{out}}\cup V_{\mathit{con}}\cup V_{\mathit{loc}}$ and the five sets are pairwise disjoint, i.e., they partition $V$. In the passage partitioning shown in Figure 3: $a$ is the only input vertex, $k$ and $o$ are output vertices, and $e$, $i$ and $m$ are local vertices. All other vertices are connecting vertices. ###### Definition 8 (Passage Graph) Let $G=(V,E)$ be a graph and ${\cal P}=\\{P_{1},P_{2},\ldots,P_{n}\\}$ a passage partitioning. $({\cal P},\\{(P,P^{\prime})\in{\cal P}\times{\cal P}\mid P\triangleright P^{\prime}\\})$ is corresponding passage graph . Figure 4 shows a passage graph. The graph shows the relationships among passages and can be used to partition the vertices $V$ into $V_{\mathit{iso}}\cup V_{\mathit{in}}\cup V_{\mathit{out}}\cup V_{\mathit{con}}\cup V_{\mathit{loc}}$. Figure 4: Passage graph based on the passage partitioning shown in Figure 3. ## 5 Quality of a Passage Partitioning Passages can be used to decompose analysis problems (e.g., conformance checking and process discovery [2]). In the extreme case, there is just one minimal passage covering all edges in the graph. In this case, the graph cannot be decomposed. Ideally, we would like to use a passage partitioning ${\cal P}=\\{P_{1},P_{2},\ldots,P_{n}\\}$ that is accurate and that has only small passages. One could aim at as many passages as possible in order to minimize the average size per passage: $\mathit{av}({\cal P})=\frac{|E|}{n}$ per passage. One can also aim at minimizing the size of the biggest passage (i.e., $\mathit{big}({\cal P})=\mathit{max}_{1\leq i\leq n}\ |P_{i}|$) because the biggest passage often takes most of the computation time. To have smaller passages, one may need to abstract from edges that are less important. To reason about such “approximate passages” we define the input as $G_{\pi}=(V,\pi)$ with vertices $V$ and weight function $\pi\in(V\times V)\rightarrow[-1,1]$. Given two vertices $x,y\in V$: $\pi(x,y)$ is “weight” of the possible edge connecting $x$ and $y$. If $\pi(x,y)>0$, then it is more likely than unlikely that there is an edge connecting $x$ and $y$. If $\pi(x,y)<0$, then it is more unlikely than likely that there is an edge connecting $x$ and $y$. One can view $\frac{\pi(x,y)+1}{2}$ as the “probability” that there is such an edge. The penalty for leaving out an edge $(x,y)$ with $\pi(x,y)=0.99$ is much bigger than leaving out an edge $(x^{\prime},y^{\prime})$ with $\pi(x^{\prime},y^{\prime})=0.15$. The accuracy of a passage partitioning ${\cal P}=\\{P_{1},P_{2},\ldots,P_{n}\\}$ with $E=\cup_{1\leq i\leq n}\ P_{i}$ for input $G_{\pi}=(V,\pi)$ can be defined as $\mathit{acc}({\cal P})=\frac{\sum_{(x,y)\in E}\pi(x,y)}{\mathit{max}_{E^{\prime}\subseteq V\times V}\sum_{(x,y)\in E^{\prime}}\pi(x,y)}$. If $\mathit{acc}({\cal P})=1$, then all edges having a positive weight are included in some passage and none of edges having a negative weight are included. Often there is a trade-off between higher accuracy and smaller passages, e.g., discarding a potential edge having a low weight may allow for splitting a large passage into two smaller ones. Just like in traditional graph partitioning [7, 8], one can look for the passage partitioning that maximizes $\mathit{acc}({\cal P})$ provided that $\mathit{av}({\cal P})\leq\tau_{\mathit{av}}$ and/or $\mathit{big}({\cal P})\leq\tau_{\mathit{big}}$, where $\tau_{\mathit{av}}$ and $\tau_{\mathit{big}}$ are suitably chosen thresholds. Whether one needs to resort to approximate passages depends on the domain, e.g., when discovering process models from event logs causalities tend to be uncertain and including all potential causalities results in Spaghetti-like graphs [1], therefore approximate passages are quite useful. ## 6 Conclusion In this article we introduced the new notion of passages. Passages have been shown to be useful in the domain of process mining. Given their properties and possible applications in other domains, we examined passages in detail. Passages are closed under the standard set operators (union, difference, and intersection). A graph can be partitioned into components based on its minimal passages and any passage is composed of minimal passages. The theory of passages can be extended to deal with approximate passages. We plan to examine these in the context of process mining, but are also looking for applications of passage partitionings in other domains (e.g., distributed enactment and verification). ## References * [1] W.M.P. van der Aalst. Process Mining: Discovery, Conformance and Enhancement of Business Processes. Springer-Verlag, Berlin, 2011. * [2] W.M.P. van der Aalst. Decomposing Process Mining Problems Using Passages. In S. Haddad and L. Pomello, editors, Applications and Theory of Petri Nets 2012, volume 7347 of Lecture Notes in Computer Science, pages 72–91. Springer-Verlag, Berlin, 2012. * [3] J. Bang-Jensen and G. Gutin. Digraphs: Theory, Algorithms and Applications (Second Edition). Springer-Verlag, Berlin, 2009. * [4] J. Desel and J. Esparza. Free Choice Petri Nets, volume 40 of Cambridge Tracts in Theoretical Computer Science. Cambridge University Press, Cambridge, UK, 1995. * [5] U. Feige, M. Hajiaghayi, and J. Lee. Improved Approximation Algorithms for Minimum-Weight Vertex Separators. In Proceedings of the thirty-seventh annual ACM symposium on Theory of computing, pages 563–572. ACM, New York, 2005. * [6] J.L. Gross and J. Yellen. Handbook of Graph Theory. CRC Press, 2004. * [7] G. Karpis and V. Kumar. A Fast and High Quality Multilevel Scheme for Partitioning Irregular Graphs. SIAM Journal on Scientific Computing, 20(1):359–392, 1998. * [8] B.W. Kernighan and S. Lin. An Efficient Heuristic Procedure for Partitioning Graphs. The Bell Systems Technical Journal, 49(2), 1970. * [9] M. Kim and K. Candan. SBV-Cut: Vertex-Cut Based Graph Partitioning Using Structural Balance Vertices. Data and Knowledge Engineering, 72:285–303, 2012. * [10] N.J.A. Sloane. Bell Numbers. In Encyclopedia of Mathematics. Kluwer Academic Publishers, 2002\. http://www.encyclopediaofmath.org/index.php?title=Bell_numbers&oldid=14335.
arxiv-papers
2013-04-03T16:07:46
2024-09-04T02:49:43.837324
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Wil van der Aalst", "submitter": "Wil van der Aalst", "url": "https://arxiv.org/abs/1304.1000" }
1304.1024
# Silicon spin chains at finite temperature: dynamics of Si(553)-Au Steven C. Erwin [email protected] Center for Computational Materials Science, Naval Research Laboratory, Washington, DC 20375 P.C. Snijders Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37830 ###### Abstract When gold is deposited on Si(553), the surface self-assembles to form a periodic array of steps with nearly perfect structural order. In scanning tunneling microscopy these steps resemble quasi-one-dimensional atomic chains. At temperatures below $\sim$50 K the chains develop a tripled periodicity. We recently predicted, on the basis of density-functional theory calculations at $T=0$, that this tripled periodicity arises from the complete polarization of the electron spin on every third silicon atom along the step; in the ground state these linear chains of silicon spins are antiferromagnetically ordered. Here we explore, using ab-initio molecular dynamics and kinetic Monte Carlo simulations, the behavior of silicon spin chains on Si(553)-Au at finite temperature. Thermodynamic phase transitions at $T>0$ in one-dimensional systems are prohibited by the Mermin-Wagner theorem. Nevertheless we find that a surprisingly sharp onset occurs upon cooling—at about 30 K for perfect surfaces and at higher temperature for surfaces with defects—to a well-ordered phase with tripled periodicity, in good agreement with experiment. ## I Introduction Linear atomic chains of metal atoms on semiconductor surfaces offer, in principle, the physical realization of phenomena predicted theoretically for one-dimensional model systems. In practice, however, unanticipated interactions can often complicate the picture and lead to behavior not easily explained by simple models. In this article we demonstrate theoretically how the complex interactions among polarized electron spins in silicon surface states determine the observed behavior of a well-studied atomic chain system, Si(553)-Au, over a wide range of temperatures. The methods developed here and the resulting predictions—which are qualitatively and quantitatively consistent with experimental observations—are also likely to apply more broadly to other vicinal Si/Au chain systems, such as Si(557)-Au. The Si(553)-Au surface was first investigated in Ref. Crain _et al._ , 2003, an experimental study which established that the electronic band dispersion and fermi surface were indeed those of a nearly one-dimensional metal. Since then, numerous lines of research have emerged. Efforts to determine the basic atomic structure of the surface have been based on data from diffraction experimentsGhose _et al._ (2005); Takayama _et al._ (2009); Voegeli _et al._ (2010) and on the results of theoretical total-energy calculations.Riikonen and Sanchez-Portal (2005, 2006, 2008); Krawiec (2010) These were greatly aided by the first definitive determination of the coverage of Au atoms on Si(553)-Au.Barke _et al._ (2009) Other investigations have explored the properties of finite-length chainsCrain and Pierce (2005); Crain _et al._ (2006) as well as various native defectsOkino _et al._ (2007a) and foreign adsorbates Ryang _et al._ (2007); Okino _et al._ (2007b); Ahn _et al._ (2008); Kang _et al._ (2009a, a, b); Nita _et al._ (2011); Krawiec and Jalochowski (2013) on the nominally clean Si(553)-Au surface. One particularly interesting line of research has focused on the collective behavior in Si(553)-Au that emerges at low temperature. Ideal one-dimensional metals with partially filled bands exhibit a broken symmetry at low temperature, namely a charge-density wave arising from the Peierls instability. Indeed, broken symmetries in Si(553)-Au were observed using scanning tunneling microscopy (STM) in Refs. Ahn _et al._ , 2005 and Snijders _et al._ , 2006. Images acquired at room temperature showed alternating bright and dim rows with unit periodicity $a_{0}$ along the rows. Below $\sim$50 K these rows separately developed higher-order periodicity: a tripled period (3$a_{0}$) along the bright rows and a doubled period (2$a_{0}$) along the dim rows. Subsequent review articles have discussed possible explanations for these observations.Snijders and Weitering (2010); Hasegawa (2010) Notwithstanding the fact that Peierls instabilities lead to higher-order periodicity, a completely different theoretical explanation for the coexisting triple and double periodicities in Si(553)-Au was proposed in Ref. Erwin and Himpsel, 2010. The key idea, which was based on the results of density- functional theory (DFT) calculations, was that the ground state of Si(553)-Au is spin polarized. In the DFT ground state, the silicon atoms that comprise the steps on this vicinal surface have dangling bonds, every third of which is occupied by a single fully polarized electron while the other two are doubly occupied. The bright rows seen in empty-state STM images arise from these step-edge silicon atoms. At low temperature the $3a_{0}$ peaks that appear in this row are from the spin-polarized atoms, which have precisely this periodicity. The DFT ground state also reveals a period doubling within the row of Au atoms. Both of these higher-order periodicities disappear if spin polarization is suppressed in the calculation, providing compelling evidence that spin polarization is the primary mechanism underlying the observed symmetry breaking in Si(553)-Au. Experiments were subsequently carried out to look for a spectroscopic signature of this predicted spin-polarized ground state. The DFT calculations showed that an unoccupied state should exist 0.5 eV above the fermi level and be localized at the polarized silicon atoms.Erwin and Himpsel (2010) The existence and spectral and spatial location of this state was indeed confirmed by two-photon photoemission Biedermann _et al._ (2012) and by scanning tunneling spectroscopy.Snijders _et al._ (2012) The predictions of Ref. Erwin and Himpsel, 2010 only addressed the zero- temperature ground state of Si(553)-Au. Left unanswered in that work was the question of how the broken-symmetry ground state evolves to have normal $a_{0}$ periodicity above $\sim$50 K. This article addresses that question from a theoretical and computational perspective. Although it may seem obvious that thermal fluctuations are important, the nature of these fluctuations turns out to be unexpectedly subtle. Nevertheless, we derive here a number of detailed qualitative as well as quantitative predictions that can easily be tested experimentally. The results of these tests will furnish additional evidence for evaluating the validity of the basic mechanism proposed in Ref. Erwin and Himpsel, 2010. ## II Ground state configuration The physical and magnetic structure of Si(553)-Au in its ground state were first proposed and discussed in Ref. Erwin and Himpsel, 2010 and for reference are reproduced in Fig. 1. This is a stepped surface consisting of (111) terraces and bilayer steps, and is stabilized by Au atoms that substitute for Si atoms in the surface layer of the terrace. The steps themselves consist of Si atoms organized into a thin graphitic strip of honeycomb hexagons (the green atoms in Fig. 1). Figure 1: (Color online) (a,b) Perspective and top views of Si(553)-Au in its electronic ground state. Yellow atoms are Au, all others are Si. The Au atoms are embedded in flat terraces, which are separated by steps consisting of Si atoms arranged as a honeycomb chain (green). Every third Si atom (red, blue) at the step has a spin magnetic moment of one Bohr magneton ($S=1/2$, arrows) from the complete polarization of the electron occupying the dangling-bond orbital. The sign of the polarization (red vs. blue) alternates along the step. The six atoms in the outlined box are the focus of the ab-initio molecular dynamics discussed in Sec. III. The surface electronic structure of Si(553)-Au has two main contributions. The first consists of two intense quasi-1D parabolic electron bands centered at the boundary of the surface Brillouin zone. These “Au bands” arise from the bonding and antibonding combinations of Au 6$s$ and subsurface Si orbitals (purple atoms). The bonding Au band is approximately half-filled and the antibonding band approximately one-fourth filled. The second contribution arises from the very edge of the Si honeycomb chain, which consists of threefold-coordinated Si atoms. The unpassivated $sp^{3}$ orbitals of these atoms can in principle be occupied by zero, one, or two electrons. The Si atoms themselves supply, on average, one electron per orbital. The step edge does not necessarily maintain this average occupancy, because electronic charge can also be transferred to or from the Au bands. Indeed, DFT calculations predict that the lowest energy configuration has one electron in every third orbital (red and blue atoms in Fig. 1) and double occupancy everywhere else (green atoms). The singly occupied orbitals are completely spin-polarized and hence have local spin moments of 1 bohr magneton each. Physically, these atoms relax slightly downward, by 0.3 Å, compared to their nonpolarized neighbors. The sign of the spins alternates along the step edge, with antiferromagnetic order favored by 15 meV per spin relative to ferromagnetic order. Therefore the magnetic periodicity is 6$a_{0}$, where $a_{0}$ is the Si surface lattice constant. This is also the smallest period that allows for the coexistence of 3$a_{0}$ spacing of the spins and 2$a_{0}$ spacing (period doubling) within the Au chain. This coexistence was first observed in STM experimentsAhn _et al._ (2005); Snijders _et al._ (2006) and emerges naturally in DFT calculations—but only when the spin degree of freedom is unconstrained.Erwin and Himpsel (2010) ## III Finite temperature dynamics The remainder of this article explores excitations of Si(553)-Au from its ground state due to finite temperature. Two main theoretical tools were used: ab-initio molecular dynamics (MD) and kinetic Monte Carlo (kMC) simulations. The first was used to identify the most important low-energy activated processes and to determine their activation barriers. Because of the complexity of the system only small time scales (tens of ps) and a small (1$\times$6) simulation cell could be addressed using ab-initio MD. To reach much longer time scales (tens of ns) and larger system sizes (up to 128 spins) we constructed a one-dimensional kMC model based on the processes and barriers determined from ab-initio MD. In particular, the kMC model allowed us to investigate finite-temperature behavior in the presence of pinning defects—providing useful insight into temperature-dependent results from scanning probe experiments, where defects often play a critical role. Two simplifying assumptions were used throughout this work. (1) Electronic excitations were not considered, and consequently the system stays on the Born-Oppenheimer surface. This assumption is reasonable in view of the modest temperatures—room temperature and lower—considered here. (2) Spin flips were not allowed. Although, as we will see below, the spins can diffuse among the Si step-edge atoms, their signs and ordering remained that of the original antiferromagnetic ordering. Although a different initial spin ordering might affect some details of the simulation, the overall qualitative findings would be very similar. ### III.1 Ab-initio molecular dynamics The MD simulations were performed using the same basic geometry and computational parameters described in Ref. Erwin and Himpsel, 2010. The Si(553)-Au surface was represented by six layers of Si plus the reconstructed top surface layer and a vacuum region of 10 Å. All atoms were free to move during the simulation except the bottom Si layer and its passivating hydrogen layer. Total energies and forces were calculated within the generalized- gradient approximation of Perdew, Burke, and Ernzerhof to DFT using projector- augmented wave potentials, as implemented in VASP.Kresse and Hafner (1993); Kresse and Furthmüller (1996); Blochl (1994); Kresse and Joubert (1999) The plane-wave cutoff was 200 eV and only the $\Gamma$ point was used. The dynamics simulations were performed in the canonical ensemble using a Nosé thermostat and a time step of 3 fs. Five temperatures, equally spaced in $1/T$, were used (57, 67, 80, 110, 133 K). For each temperature a thermalization run of 10 ps was first performed, followed by a dynamics run of 20 ps. Figure 2 shows the resulting atomic trajectories during the entire run of 104 MD time steps for the lowest temperature studied, 57 K. The six curves are for the six Si step-edge atoms in the outlined box of Fig. 1(b). The upper and lower panels show the relative heights of the atoms and their local spin moments, respectively. After thermalization was achieved the system settled into its ground state configuration with two spin-polarized atoms (red and blue) sitting $\sim$0.3 Å lower than their four non-polarized neighbors. Figure 2: (Color online) (a) Ab-initio molecular dynamics trajectories of the six Si step-edge atoms outlined in Fig. 1, at 57 K. Red and blue curves denote the red and blue atoms, which are initially spin-polarized. Other colors (magenta, cyan, dark green, light green) denote initially non-polarized atoms. Thermalization is completed by about 10 ps. Upper panel: height of each atom, relative to the average height of nonpolarized atoms. Lower panel: local spin moment of each atom. (b) Expanded view of two spin hops occurring at 15.44 ps (from the red atom to the cyan atom) and at 15.71 ps (from the blue atom to the magenta atom). The expanded view in Fig. 2(b) focuses on two events that occurred between 15 and 16 ps. At 15.44 ps the magnitude of the moment on the spin-up red atom went rapidly to zero while, concurrently, a spin-up moment rapidly developed on the neighboring cyan atom. At essentially the same time the height of the red atom increased by 0.3 Å to that of a non-polarized atom, while the cyan atom moved down by the same amount. In summary, the spin-up moment that was localized on the red atom hopped to one of its neighbors. Very soon after, a second hop occurred at 15.71 ps. This hop was made by the other spin (with the opposite sign) which moved from the blue atom to the magenta atom. It is not a coincidence that this hop occurred so soon after the first. The first hop changed the minimum spacing between spins from 3$a_{0}$ to 2$a_{0}$, incurring an energy penalty (discussed in detail below). This increase in energy in turn reduced the barrier for any hop that restores the spacing to its optimal value. The cyan and magenta atoms are indeed separated by 3$a_{0}$, and thus after two rapid spin hops the system was restored to an equivalent ground state configuration, in which it remained for the rest of the simulation. The very small number of hops observed at 57 K makes it clear that ab-initio MD simulations of Si(553)-Au at still lower temperatures, where many of the relevant experiments are conducted, are not feasible. Instead we turn to higher temperatures and ask how the frequency of hopping events depends on temperature. This information will be useful in Sec. III.2 for calibrating and validating our kMC model in a temperature range accessible to both methods. Figure 3 shows the resulting time-averaged hopping rate for a single spin, versus inverse temperature. The rates for low temperatures have large statistical uncertainties (not shown) and hence it is reasonable to describe these results by a simple linear Arrhenius fit, as shown. The attempt frequency, $2.0\times 10^{13}$ s-1, is on the order of a surface vibrational frequency, as expected. The activation energy, 12 meV, represents a characteristic average of the individual barriers for spin hops weighted by their relative probability of occurrence. Figure 3: Temperature dependence of the hopping rate for Si spins along the Si(553)-Au step edge. The rates are time averages extracted from ab-initio molecular dynamics (MD) trajectories, and are compared to rates from kinetic Monte Carlo (kMC) simulations. The linear fits describe Arrhenius behavior. The fit to ab-initio MD rates (thick line) gives a pre-exponential factor $2.0\times 10^{13}$ s-1 and activation barrier 12 meV. For kMC rates (thin line) the values are $2.2\times 10^{13}$ s-1 and 13 meV. ### III.2 Kinetic Monte Carlo model To construct the kMC model one first needs to enumerate all the relevant spin hops and their individual rates. We used DFT results obtained from the full Si(553)-Au system for this task. In the spirit of simplicity we constructed the kMC model itself to be strictly one-dimensional, with an arbitrarily large unit cell and periodic boundary conditions. Thus the kMC simulations inherit much of the accuracy of the DFT calculations but make the additional approximation that spin hops along different step edges are independent. Figure 4 shows the DFT potential energy surface for the spin hop observed in Fig. 2(b) at 15.44 ps into the MD simulation. Because the spins and the heights of the atoms are tightly linked, the reaction coordinate $x$ is approximately given by the relative heights $h$ of the red and cyan atoms, $x\approx[1-(h_{\rm cyan}-h_{\rm red})/\Delta h]/2,$ (1) where $\Delta h=0.3$ Å is the equilibrium height difference between spin- polarized and non-polarized atoms. To definitively determine the detailed reaction pathway and potential energy surface we used the nudged elastic-band method. Figure 4: DFT potential energy surface for a single spin hopping from the red atom to the neighboring cyan atom. The initial state (0) is the ground state depicted in Fig. 1. The final state (1) is the metastable state, fully relaxed, that exists between 15.44 and 15.71 ps in the MD simulation of Fig. 2. The activation barrier is 30 meV for the forward reaction and 5 meV for the reverse reaction. Atom colors correspond to the trajectories in Fig. 2. This potential energy surface confirms the assertion, made in Sec. III.1, that the red-to-cyan (forward) spin hop incurs an energy penalty that leads to a smaller barrier for the cyan-to-red (reverse) hop. Specifically, the activation barrier for the forward hop is 30 meV, the resulting energy penalty is 25 meV, and the barrier for the reverse hop is 5 meV. These two types of hops, and their calculated barriers, are two of the three fundamental processes included in our kMC model. For convenience we define here a more compact notation for enumerating the different types of spin hops. Careful examination of the ab-initio MD trajectories reveals that all spin hops were to an adjacent site; there were no double hops. Hence we can label every hop as either leftward ($\leftarrow$) or rightward ($\rightarrow$). We assume that the barrier for a spin hop depends only on the spin’s immediate environment, that is, on the distances $ma_{0}$ and $na_{0}$ to the left and right neighboring spins, respectively, measured before making the hop. Using this notation we can express the barriers for the two hops shown in Fig. 4 as $b(3,3,\leftarrow)=30$ meV and $b(2,4,\rightarrow)=5$ meV, where the two numerical arguments denote $m$ and $n$, respectively. The third important hop we considered occurs when $m+n=5$, rather than 6 as depicted in Fig. 4. From DFT nudged elastic-band calculations we find $b(3,2,\leftarrow)$ = $b(2,3,\rightarrow)=14$ meV (the barriers are equal by symmetry). As expected from the distances to the neighboring spins, this barrier is in between the previous two. The MD trajectories also show that two spins never occupy adjacent sites. Because of this, our enumeration of the possible spin hops is already complete for all cases with $m+n\leq 6$. (It is worth noting that the configuration in which a spin has both neighbors at $2a_{0}$ is allowed, but because its adjacent sites cannot be occupied this spin cannot hop until one of its neighbors does.) The cases with $m+n\geq 7$ are difficult to treat within DFT but occur more rarely and thus are less important. For this reason we treated the effect of neighbors beyond $3a_{0}$ as negligible, used the barrier of 30 meV for any hop that brings a spin within $2a_{0}$ of its neighbor, and assigned a single (arbitrary) barrier of 10 meV to hops that maintain larger separations than this. This completes our enumeration. To finish the construction of the kMC model, we assumed that the rates for all allowed spin hops are given by $r=a\exp(-b/kT)$, where $a$ is a common prefactor and $b=b(m,n,\leftarrow)$ and $b(m,n,\rightarrow)$ are the DFT barriers. To determine the optimal value of $a$ and compare the predictions of the kMC model to the ab-initio MD results, we applied the model to the system discussed in Sec. III.1—two spin-polarized atoms in a six-atom unit cell with periodic boundary conditions. The resulting kMC spin hopping rates obtained using $a=6\times 10^{12}$ s-1 are plotted in Fig. 3 for direct comparison with the rates from ab-initio MD. The kMC rates have negligible statistical errors and it is clear that a simple Arrhenius fit describes them very well. Moreover, the fitted attempt frequency, $2.2\times 10^{13}$ s-1, and activation energy, 12 meV, are within 10% of the MD values. This confirms that the kMC model accurately reproduces the ab-initio results within the temperature range considered. ### III.3 Spins at finite temperature near a defect In real systems, the behavior of collective phenomena is often controlled by defects that pin the phase of a low-temperature state having broken symmetry. On the Si(553)-Au surface, a variety of defects—missing atoms, absorbates, etc.—have been observed to act as pinning sites that locally stabilize the 1$\times$3 ground state.Snijders _et al._ (2006); Kang _et al._ (2009b); Hasegawa (2010); Shin _et al._ (2012) The important role played by such pinning defects motivates our first application of the kMC model. We prepared a system consisting of 128 independent spins, with periodic boundary conditions, initially arranged in the antiferromagnetic ground state with uniform 3$a_{0}$ spacing. One of the spins (at position 0) was pinned in place throughout the simulation, thus representing a generic immobile defect. The spins were allowed to hop stochastically among the 3$\times$128 lattice sites according to probabilities defined by the hopping rates $r$. Figure 5 displays the resulting trajectories at 300 K of all the spins over the first 10 ns of the simulation. For clarity every tenth trajectory trace is colored. As the system evolved, each spin explored a region of the lattice around its initial position. These explorations were relatively small for spins near the pinning defect and became progressively larger for spins farther away. Figure 5: (Color online) Kinetic Monte Carlo trajectories of 128 spins at 300 K in the presence of a pinning defect at the origin. Every tenth trace is colored for clarity. Right panel: histogram of the positions occupied by each spin, weighted by the time spent there, obtained over a simulation time of 1 $\mu$s. The heavy curve is the envelope function $d^{-2/3}$ describing the decay of histogram heights with distance $d$ from the pinning defect. The right panel in Fig. 5 examines this thermally induced wandering in greater detail. For each of the 128 spins a histogram was made representing the position of that spin at 300 K. At this temperature a simulation time of 1 $\mu$s was sufficient to obtain the steady-state distribution. It is readily apparent from examining the colored histograms that each is well described by a gaussian function centered on the spin’s initial position. Thus each of these gaussians is entirely specified by its variance $\sigma^{2}$, whose value depends on the distance $d$ to the pinning defect. To deduce this dependence we first note that the area under each gaussian is by construction the same. Hence the height of each gaussian is proportional to $1/\sigma$. We find empirically that the dependence of these heights on distance is given with excellent accuracy as $d^{-2/3}$. An envelope function with this dependence is shown on the histogram plot as a heavy black curve. From this dependence we thus deduce that the thermally induced widths $w$, defined here as $2\sigma$, increase with distance from a pinning defect as $w\sim d^{2/3}$. Now we move on to explore how temperature affects the thermal wandering of spins near a pinning defect. We repeated the kMC simulation and analysis in Fig. 5 for a series of temperatures between 10 and 300 K. We focus on the variation of the thermal widths $w$ as a function of temperature $T$. Figure 6: (Color online) Temperature dependence of the thermal widths $w(T)$ of every tenth spin, in the presence of a pinning defect. Labels indicate the spin’s distance from the defect, in units of 3$a_{0}$. Colors correspond to the trajectories in Fig. 5. The light gray shaded area is bounded by logarithmic fits to the lower (red) and upper (orange) data points. The characteristic temperatures $T_{0}$, $T_{1}$, and $T_{3}$ describe different criteria by which thermal wandering of spins is expected to be either eliminated or suppressed; see discussion in text. Figure 6 summarizes the resulting temperature dependence. The six datasets show $w(T)$ for every tenth spin of the 128-spin simulation cell. For reference, the six values at $T=300$ K correspond to the six gaussian widths in the upper half of the histogram panel in Fig. 5. We find empirically that the dependence of each dataset on temperature is close to logarithmic, as shown by the light gray shaded area. This implies that the dependence of the thermal widths on distance and temperature can be separated and written as $w(d,T)=w_{0}(d)\ln(T/T_{0}),$ (2) where $w_{0}(d)\sim d^{2/3}$ and the characteristic temperature $T_{0}$ has the fitted value 21 K. All thermal wandering is, by definition, completely eliminated at $T_{0}$. But two less restrictive criteria may be more relevant for interpreting the experimentally observed transition to the period-tripled ground state. At $T_{1}=27$ K the thermal widths for all 128 spins become smaller than the width of a single lattice site. Hence, below this temperature the spins will in effect be frozen into place on every third lattice site. At still higher temperature, $T_{3}=42$ K, all thermal widths are less than or equal to the average spacing (three lattice sites) between spins. Hence the spins will first become distinguishable as the system is cooled below this temperature. To generalize this result and make predictions that can be tested by experiment, we first assume that real systems can be characterized by a known average concentration $c$ of pinning defects. Because the defects are distributed in 1D, the characteristic distance $d$ from a spin to the nearest defect scales as $1/c$. By inverting Eq. 2 we then immediately obtain a simple result: the temperatures $T_{1,3}$ at which all spins in the system become either frozen into place or distinguishable will scale as $T_{1,3}\sim\exp(c^{2/3})$. Thus we predict this scaling to describe the temperature at which the period-tripled ground state of Si(553)-Au is first observed. By inserting into this qualitative relationship the appropriate constants obtained from the kMC simulations, we derive a quantitative prediction for the freezing temperature, $T_{1}=T_{0}\exp(k\,c^{2/3}),$ (3) where $k=11.8$ is a dimensionless constant and $c$ is expressed in the dimensionless units of defects per lattice site. The corresponding equation for $T_{3}$ can be obtained from Eq. 3 by multiplying the argument of the exponential by three. A useful guide to understanding the importance of defects in Si(553)-Au is provided by linearizing Eq. 3 around a physically plausible value (10-2) for the defect concentration. This leads to the result that a change in the defect concentration will raise the freezing temperature by $\Delta T_{1}=\gamma\Delta c$, with proportionality constant $\gamma=1330$ K. Thus, for samples with approximately one defect every 100 lattice sites, a doubling of this concentration will increase the freezing temperature by 13 K. ### III.4 Spins at finite temperature in the absence of defects Although a system completely free of defects is obviously unrealistic, the behavior of such an idealized system nevertheless offers complementary insight into the thermal wandering of spins when the concentration of defects is very low. As we show below, despite the absence of defects, the statistical behavior of the spins still exhibits a sudden and qualitative change at about 30 K. Figure 7: Trajectory of a single spin at 100 K in the absence of pinning defects. Gray curve shows the theoretical average displacement versus time for a isolated random walker in one dimension, $\langle d\rangle\propto\sqrt{t}$. We constructed a periodic system of 64 spins similar to that described in Sec. III.3, but now without a pinning defect. Thus each spin executed a random walk in 1D. Figure 7 shows a typical trajectory at 100 K for one of the 64 spins. Despite the stochastic nature of this single trajectory, it is already plausible that the average displacement $\langle d\rangle$ depends on the time $t$ according to $\langle d\rangle\propto\sqrt{t}$, which is the well-known result for a single unbiased random walker in one dimension. Figure 8: Average displacement versus time of a single spin in the absence of defects, at the indicated temperatures. Circles are statistical averages over 2000 kMC simulations. Straight lines are fits to $t^{H}$, where $H$ is the Hurst exponent. The dotted line indicates $H$=1/2. To analyze this behavior more systematically, we performed many independent kMC simulations and computed the average displacements as a function of time. Figure 8 shows these averages on a log-log scale for a range of temperatures. At high temperatures we indeed obtain the behavior $\langle d\rangle\propto t^{1/2}$, which is indicated by the dotted line. This behavior persists until the temperature reaches the range 30–35 K, where it still exhibits power-law behavior $\langle d\rangle\propto t^{H}$ but with a progressively larger exponent $H>1/2$. Figure 9: Hurst exponent versus temperature for spins in the absence of a defect. The solid curve is a fit to a generalized susceptibility with a characteristic temperature $T_{c}=28$ K. In general, a system for which the long-time displacements are characterized by a Hurst exponent $H=1/2$ is said to be uncorrelated, while $H>1/2$ indicates that long-time correlations are present.Rangarajan and Ding (2000) Figure 9 shows the Hurst exponent $H$, obtained by fitting the time-averaged displacements, as a function of temperature. Above $\sim$40 K the system displays uncorrelated behavior. Below this temperature we observe the rapid onset of correlated behavior. To quantify the temperature of this transition we fit the Hurst exponents to a generalized susceptibility of the form $H=(1/2)/[1-(T_{c}/T)^{\nu}]$ and obtain a characteristic temperature $T_{c}=28$ K. Hence as the clean system is cooled toward $T_{c}$ the random walks described by individual spins rapidly lose their independent character. This transition occurs with a characteristic temperature comparable to that obtained, $T_{0}=21$ K, by extrapolating from the behavior in the presence of defects. Thus these two complementary approaches lead to qualitatively as well as quantitatively similar conclusions. ## IV Discussion and conclusions A guiding principle in one-dimensional physics is provided by the Mermin- Wagner theorem, which states that phase transitions cannot occur above $T=0$ if the interactions are short-ranged.Mermin and Wagner (1966) Exploring the different manifestations of this theorem in real systems can yield new and unanticipated insights. For example, a previous publication by one of us demonstrated theoretically that when the interactions are $not$ short-ranged, as for $1/r$ Coulomb interactions, then a well-defined thermodynamic phase transition can indeed occur—and likely does occur for a system of Ba adsorbates on Si(111).Erwin and Hellberg (2005); Bruch (2005) In the present article the new insights into 1D physics are of a different kind: we have shown that even when the interactions are short-ranged, and the system purely 1D, a well-ordered phase with the clear signature of a broken symmetry can form well above $T=0$. Moreover, an approximate transition temperature can be readily identified using realistic simulations and straightforward statistical analysis. For Si(553)-Au the precise nature of the interacting entities is unexpected and somewhat subtle: our MD simulations showed that they are neither simple vibrations of atoms, nor spins on a simple fixed lattice, but rather a tightly coupled combination of both. In this sense a description of Si(553)-Au based on spin polarons is appropriate. Our kMC simulations showed that as the temperature of the system is raised, the ground state $3a_{0}$ crystal formed by these polarons melts at a temperature we estimate to be $\sim$30 K for perfectly clean systems, and higher for systems with pinning defects. A direct experimental test of this description is afforded by Eq. 3, which predicts how the transition temperature varies with the concentration of defects. It is important to acknowledge some limitations of this work. Because our focus has been on the behavior of Si(553)-Au at low temperature, we have assumed that the spin-polarized silicon states remain polarized at higher temperatures. Our preliminary calculations indicate that this assumption is completely justified at the temperatures of interest here. However, at much higher temperatures the thermally induced vibrations of the step edge atoms increasingly render the system nonpolarized for part of the time. For example, at room temperature the average spin moment is reduced to roughly 2/3 of its low-temperature value of 1 bohr magneton. Future theoretical investigations into the behavior of Si(553)-Au near room temperature will have to account for this thermal suppression of the spin polarization. Finally, as mentioned in Sec. III, we have throughout assumed for simplicity that the ordering of the spins remains antiferromagnetic, as in the ground state. Preliminary calculations show that the barriers for spin hopping depend quantitatively, although not qualitatively, on the signs of the neighboring spins. A generalization of our kMC model that includes spin flips would be a very interesting direction to pursue, but we anticipate that the qualitative conclusions drawn here—as well as the overall consistency between our findings and those of existing experiments—would be largely unchanged. ###### Acknowledgements. Many discussions with F.J. Himpsel are gratefully acknowledged. This work was supported by the Office of Naval Research (SCE) and the Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (PCS). Computations were performed at the DoD Major Shared Resource Centers at AFRL and ERDC. ## References * Crain _et al._ (2003) J. N. Crain, A. Kirakosian, K. N. Altmann, C. Bromberger, S. C. Erwin, J. McChesney, J.-L. Lin, and F. J. Himpsel, Phys. Rev. Lett. 90, 176805 (2003). * Ghose _et al._ (2005) S. K. Ghose, I. K. Robinson, P. A. Bennett, and F. J. Himpsel, Surf. Sci. 581, 199 (2005). * Takayama _et al._ (2009) T. Takayama, W. Voegeli, T. 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B 50, 17953 (1994). * Kresse and Joubert (1999) G. Kresse and D. Joubert, Physical Review B 59, 1758 (1999). * Shin _et al._ (2012) J. S. Shin, K.-D. Ryang, and H. W. Yeom, Physical Review B 85, 073401 (2012). * Rangarajan and Ding (2000) G. Rangarajan and M. Z. Ding, Physical Review E 61, 4991 (2000). * Mermin and Wagner (1966) N. D. Mermin and H. Wagner, Physical Review Letters 17, 1133 (1966). * Erwin and Hellberg (2005) S. C. Erwin and C. S. Hellberg, Surface Science 585, L171 (2005). * Bruch (2005) L. W. Bruch, Surface Science 585, 135 (2005).
arxiv-papers
2013-04-03T17:35:51
2024-09-04T02:49:43.845139
{ "license": "Public Domain", "authors": "Steven C. Erwin and P.C. Snijders", "submitter": "Steven C. Erwin", "url": "https://arxiv.org/abs/1304.1024" }
1304.1033
11institutetext: 1 University of Vigo 11email: [email protected] 2 University of Bucharest 11email: [email protected] # A Fixed Point Theorem and Equilibria of Abstract Economies with w-Upper Semicontinuous Set-Valued Maps Carlos Hervés-Beloso1 and Monica Patriche2 1 RGEA, Facultad de Económicas, Universidad de Vigo, Campus Universitario, E-36310 Vigo, Spain 2 University of Bucharest, Faculty of Mathematics and Computer Science, 14 Academiei Street, 010014 Bucharest, Romania ###### Abstract We introduce the notion of w-upper semicontinuous set valued maps ###### Keywords: Fixed point theorem, w-upper semicontinuous set valued maps, 2010 Mathematics Subject Classification. 47H10, 91A47, 91A80. 1. Introduction The pioneer work of Nash [11] first proved a theorem of equilibrium existence for games where the player’s payoffs are represented by continuous quasi- concave utilities. Arrow and Debreu used the work by Nash to prove the existence of equilibrium in a generalized N-person game or on abstract economy [7] which implies the Walrasian equilibrium existence [2]. These ideas were extended by various authors in several ways. In [16], Shafer and Sonnenschein proved the existence of equilibrium of an economy with finite dimensional commodity space and irreflexive preferences represented as set valued maps with open graph. Yannelis and Prahbakar [22] developed new techniques based on selection theorems and fixed-point theorems. Their main result concerns the existence of equilibrium when the constraint and preference set valued maps have open lower sections. They work within different frameworks (countable infinite number of agents, infinite dimensional strategy spaces). Borglin and Keiding [3] used new concepts of K.F.-set valued maps and KF- majorized set valued maps for their existence results . The concept of KF- majorized set valued maps was extended by Yannelis and Prabhakar [22] to L-majorized set valued maps. In [23], Yuan proposed a more general model of abstract economy than the one introduced by Borglin and Keing in [3], in the sense that the constraint mapping was split into two parts $A$ and $B.$ This is due to the ”small” constraint set valued map $A$ which could not have enough fixed points even though the ”big” constraint set valued map $B$ could. Most existence theorems of equilibrium deal with preference set valued maps which have lower open sections or are majorized by set valued maps with lower open sections. In the last few years, some existence results were obtained for lower semicontinuous and upper semicontinuous set valued maps. Some recent results concerning upper semicontinuous set valued maps and fixed points can be found in [1], [4], [18], [19], [20], [24]. New results on equilibrium existence in games are given in [10], [12], [13], [17]. In this paper, we define two types of set valued maps: w-upper semicontinuous set valued maps and set valued maps that have e-USS-property. We prove a fixed point theorem for w-upper semicontinuous set valued maps. This result is a Wu like result [20] and generalizes the Himmelberg’s fixed point theorem in [9]. We use this theorem for proving our first theorem of equilibrium existence for abstract economies having w-upper semicontinuous constraint and preference set valued maps. On the other hand, we use a technique of approximation to prove an equilibrium existence theorem for set valued maps having e-USS-property. The paper is organized in the following way: Section 2 contains preliminaries and notations. The fixed point theorem is presented in Section 3 and the equilibrium theorems are stated in Section 4. 2. Preliminaries and Notation Throughout this paper, we shall use the following notations and definitions: Let $A$ be a subset of a topological space $X$. $2^{A}$ denotes the family of all subsets of $A$. cl$A$ denotes the closure of $A$ in $X$. If $A$ is a subset of a vector space, co$A$ denotes the convex hull of $A$. If $F$, $G:$ $X\rightrightarrows Y$ are set valued maps, then conv $G$, cl $G$, $G\cap F$ $:$ $X\rightrightarrows Y$ are set valued maps defined by $($conv $G)(x)=$conv $G(x)$, $($cl $G)(x)=$cl $G(x)$ and $(G\cap F)(x)=G(x)\cap F(x)$ for each $x\in X$, respectively. The graph of $T:X\rightrightarrows Y$ is the set Gr $(T)=\\{(x,y)\in X\times Y\mid y\in T(x)\\}.$ The set valued map $\overline{T}$ is defined by $\overline{T}(x):=\\{y\in Y:(x,y)\in$clX×Y Gr $T\\}$ (the set clX×Y Gr $(T)$ is called the adherence of the graph of $T$). It is easy to see that cl $T(x)\subset\overline{T}(x)$ for each $x\in X.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Let $X$, $Y$ be topological spaces and $T:X\rightrightarrows Y$ be a set valued map. $T$ is said to be upper semicontinuous if for each $x\in X$ and each open set $V$ in $Y$ with $T(x)\subset V$, there exists an open neighborhood $U$ of $x$ in $X$ such that $T(y)\subset V$ for each $y\in U$. $T$ is said to be almost upper semicontinuous if for each $x\in X$ and each open set $V$ in $Y$ with $T(x)\subset V$, there exists an open neighborhood $U$ of $x$ in $X$ such that $T(y)\subset$cl $V$ for each $y\in U$. Lemma 2.1(Lemma 3.2, pag. 94 in [25]) Let $X$ be a topological space, $Y$ be a topological linear space, and let $S:X\rightrightarrows Y$ be an upper semicontinuous set valued map with compact values. Assume that the set $C\subset Y$ is closed and $K\subset Y$ is compact. Then $T:X\rightrightarrows Y$ defined by $T(x)=(S(x)+C)\cap K$ for all $x\in X$ is upper semicontinuous. Lemma 2.2 is a version of Lemma 1.1 in [21] ( for $D=Y,$ we obtain Lemma 1.1 in [21]). For the reader’s convenience, we include its proof below. Lemma 2.2 Let $X$ be a topological space, $Y$ be a nonempty subset of a locally convex topological vector space $E$ and $T:X\rightrightarrows Y$ be a set valued map. Let ß be a basis of neighbourhoods of $0$ in $E$ consisting of open absolutely convex symmetric sets. Let $D$ be a compact subset of $Y$. If for each $V\in$ß, the set valued map $T^{V}:X\rightrightarrows Y$ is defined by $T^{V}(x)=(T(x)+V)\cap D$ for each $x\in X,$ then $\cap_{V\in\text{\ss}}\overline{T^{V}}(x)\subseteq\overline{T}(x)$ for every $x\in X.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Proof Let $x$ and $y$ be such that $y\in\cap_{V\in\text{\ss}}\overline{T^{V}}(x)$ and suppose, by way of contradiction, that $y\notin\overline{T}(x).$ This means that $(x,y)\notin$cl Gr $T,$ so that there exists an open neighborhood $U$ of $x$ and $V\in$ß such that: $(U\times(y+V))\cap$Gr $T=\emptyset.\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ (1)$ Choose $W\in$ß such that $W-W\subseteq V$ (e.g. $W=\frac{1}{2}V)$. Since $y\in T^{W}(x)$, then $(x,y)\in$cl Gr $T^{W},$ so that $(U\times(y+W))\cap\text{Gr }T^{W}\neq\emptyset.\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ $ There are some $x^{\prime}\in U$ and $w^{\prime}\in W$ such that $(x^{\prime},y+w^{\prime})\in$Gr $T^{W},$ i.e. $y+w^{\prime}\in T^{W}(x^{\prime}).$ Then, $y+w^{\prime}\in D$ and $y+w^{\prime}=y^{\prime}+w^{{}^{\prime\prime}}$ for some $y^{\prime}\in T(x^{\prime})$ and $w^{{}^{\prime\prime}}\in W.$ Hence, $y^{\prime}=y+(w^{\prime}-w^{{}^{\prime\prime}})\in y+(W-W)\subseteq y+V,$ so that $T(x^{\prime})\cap(y+V)\neq\emptyset.$ Since $x^{\prime}\in U,$ this means that $(U\times(y+V))\cap$Gr $T\neq\emptyset,$ contradicting (1). $\ \ \ \ \ \ \ \ \ \ \square$ We introduce the following definitions. Let $X$ be a topological space, $Y$ be a nonempty subset of a topological vector space $E$ and $D$ be a subset of $Y$. Definition 2.1 The set valued map $T:X\rightrightarrows Y$ is said to be w-upper semicontinuous (weakly upper semicontinuous) with respect to the set $D$ if there exists a basis ß of open symmetric neighborhoods of $0$ in $E$ such that, for each $V\in$ß, the set valued map $T^{V}$ is upper semicontinuous. Definition 2.2 The set valued map $T:X\rightrightarrows Y$ is said to be almost w-upper semicontinuous (almost weakly upper semicontinuous) with respect to the set $D$ if there exists a basis ß of open symmetric neighborhoods of $0$ in $E$ such that, for each $V\in$ß, the set valued map $\overline{T^{V}}$ is upper semicontinuous. Example 2.1 Let $T_{1}:(0,2)\rightrightarrows(0,2)$ be defined by $T_{1}(x):=\left\\{\begin{array}[]{c}(0,1)\text{ if }x\in(0,1];\\\ [1,2)\text{ if x}\in(1,2).\end{array}\right.$ $T_{1}$ and $T_{1}\cap\\{1\\}:=\left\\{\begin{array}[]{c}\phi\text{ \ if \ }x\in(0,1];\\\ \\{1\\}\text{ if x}\in(1,2)\end{array}\right.$ are not upper semicontinuous on $(0,2).$ Let $D:=\\{1\\}$ and let $V:=(-\varepsilon,\varepsilon),$ $\varepsilon>0,$ be an open symmetric neighbourhood of $0$ in $IR.$ Then, it results that for $\varepsilon>0,$ $T_{1}(x)+(-\varepsilon,\varepsilon):=\left\\{\begin{array}[]{c}(-\varepsilon,1+\varepsilon)\text{ \ \ if \ \ \ }x\in(0,1];\\\ (1-\varepsilon,2+\varepsilon)\text{\ if \ \ \ \ \ }x\in(1,2);\end{array}\right.$ $T_{1}^{V}(x):=(T_{1}(x)+(-\varepsilon,\varepsilon))\cap\\{1\\}=\\{1\\}$ for any $x\in(0,2).$ $\overline{T_{1}^{V}}(x)=\\{1\\}$ for $x\in(0,2).$ For each $V=(-\varepsilon,\varepsilon)$ with $\varepsilon>0,$ the set valued maps $T_{1}^{V}$ and $\overline{T_{1}^{V}}$ are upper semicontinuous and $\overline{T_{1}^{V}}$ has nonempty values. We conclude that $T_{1}$ is w-upper semicontinuous with respect to $D$ and it is also almost w-upper semicontinuous with respect to $D.$ We also define the dual w-upper semicontinuity with respect to a compact set. Definition 2.3 Let $T_{1},T_{2}:X\rightrightarrows Y$ be set valued maps. The pair $(T_{1},T_{2})$ is said to be dual almost w-upper semicontinuous (dual almost weakly upper semicontinuous) with respect to the set $D$ if there exists a basis ß of open symmetric neighborhoods of $0$ in $E$ such that, for each $V\in$ß, the set valued map $\overline{T_{(1,2)}^{V}}:X\rightrightarrows D$ is lower semicontinuous, where $T_{(1,2)}^{V}:X\rightrightarrows D$ is defined by $T_{(1,2)}^{V}(x):=(T_{1}(x)+V)\cap T_{2}(x)\cap D$ for each $x\in X$. Example 2.2 Let $\ D:=[1,2],$ $T_{1}:(0,2)\rightrightarrows[1,4]$ be the set valued map defined by $T_{1}(x):=\left\\{\begin{array}[]{c}[2-x,2],\text{ if }x\in(0,1);\\\ \\{4\\}\text{ \ \ \ \ \ \ if \ \ \ \ \ \ \ }x=1;\\\ [1,2]\text{ \ \ \ if \ \ \ }x\in(1,2).\end{array}\right.$ and $T_{2}:(0,2)\rightrightarrows[2,3]$ be the set valued map defined by $T_{2}(x):=\left\\{\begin{array}[]{c}[2,3],\text{ if }x\in(0,1];\\\ \\{2\\}\text{ \ if \ \ }x\in(1,2);\end{array}\right..$ The set valued map $T_{1}$ is not upper semicontinuous on $(0,2)$. For $\varepsilon\in(0,2],$ $(T_{1}(x)+(-\varepsilon,\varepsilon))\cap D\cap T_{2}(x)=\left\\{\begin{array}[]{c}\\{2\\}\text{ if }x\in(0,1)\cup(1,2);\\\ \phi\text{ \ \ \ \ \ \ \ if \ \ \ \ \ \ \ \ \ }x=1.\end{array}\right.$ For $\varepsilon\in(2,\infty),$ $(T_{1}(x)+(-\varepsilon,\varepsilon))\cap D\cap T_{2}(x)=\\{2\\}$ for each $x\in(0,2).$ Then, we have that for each $\varepsilon>0,$ $\overline{T_{(1,2)}^{V}}(x)=\\{2\\}$ for each $x\in[0,2]$ and the set valued map $\overline{T_{(1,2)}^{V}}$ is upper semicontinuous and has nonempty values. We conclude that the pair $(T_{1},T_{2})$ is dual almost w-upper semicontinuous with respect to $D.$ 3. A New Fixed Point Theorem We obtain the following fixed point theorem which generalizes Himmelberg’s fixed point theorem in [9]: Theorem 3.1 Let $I$ be an index set. For each $i\in I,$ let $X_{i}$ be a nonempty convex subset of a Hausdorff locally convex topological vector space $E_{i}$, $D_{i}$ be a nonempty compact convex subset of $X_{i}$ and $S_{i},T_{i}:X:=\mathop{\textstyle\prod}\limits_{i\in I}X_{i}\rightrightarrows X_{i}$ be two set valued maps with the following conditions: 1) for each $x\in X$, $\overline{S}_{i}(x)\subseteq T_{i}(x)$; 2) $S_{i}$ is almost w-upper semicontinuous with respect to $D_{i}$ and $\overline{S_{i}^{V_{i}}}$ is convex nonempty valued for each absolutely convex symmetric neighborhood $V_{i}$ of $0$ in $E_{i}$. Then there exists $x^{\ast}\in D:=\mathop{\textstyle\prod}\limits_{i\in I}D_{i}$ such that $x_{i}^{\ast}\in T_{i}(x^{\ast})$ for each $i\in I.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Proof Since $D_{i}$ is compact, $D:=\mathop{\textstyle\prod}\limits_{i\in I}D_{i}$ is also compact in $X.$ For each $i\in I,$ let ßi be a basis of open absolutely convex symmetric neighborhoods of zero in $E_{i}$ and let ß=$\mathop{\textstyle\prod}\limits_{i\in I}$ß${}_{i}.$ For each system of neighborhoods $V=(V_{i})_{i\in I}\in\mathop{\textstyle\prod}\limits_{i\in I}$ß${}_{i},$ let’s define the set valued maps $S_{i}^{V_{i}}:X\rightrightarrows D_{i},$ by $S_{i}^{V_{i}}(x)=(S_{i}(x)+V_{i})\cap D_{i}$, $x\in X,$ $i\in I.$ By assumption 2) each $\overline{S_{i}^{V_{i}}}$ is u.s.c with nonempty closed convex values. Let’s define $S^{V}:X\rightrightarrows D$ by $S^{V}(x)=\mathop{\textstyle\prod}\limits_{i\in I}\overline{S_{i}^{V_{i}}}(x)$ for each $x\in D.$ The set valued map $S^{V}$ is upper semicontinuous with closed convex values. Therefore, according to Himmelberg’s fixed point theorem [9], there exists $x_{V}^{\ast}=\mathop{\textstyle\prod}\limits_{i\in I}(x_{V}^{\ast})_{i}\in D$ such that $x_{V}^{\ast}\in S^{V}(x_{V}^{\ast}).$ It follows that $(x_{V}^{\ast})_{i}\in\overline{S_{i}^{V_{i}}}(x_{V}^{\ast})$ for each $i\in I.$ For each $V=(V_{i})_{i\in I}\in$ß, let’s define $Q_{V}=\cap_{i\in I}\\{x\in D:$ $x_{i}\in\overline{S_{i}^{V_{i}}}(x)\\}.$ $Q_{V}$ is nonempty since $x_{V}^{\ast}\in Q_{V},$ then $Q_{V}$ is nonempty and closed. We prove that the family $\\{Q_{V}:V\in\text{\ss}\\}$ has the finite intersection property. Let $\\{V^{(1)},V^{(2)},...,V^{(n)}\\}$ be any finite set of ß and let $V^{(k)}=\underset{i\in I}{\mathop{\textstyle\prod}}V_{i}^{(k)}$, $k=1,...,n.$ For each $i\in I$, let $V_{i}=\underset{k=1}{\overset{n}{\cap}}V_{i}^{(k)}$, then $V_{i}\in\text{\ss}_{i};$ thus $V=\underset{i\in I}{\mathop{\textstyle\prod}}V_{i}\in\underset{i\in I}{\mathop{\textstyle\prod}}\text{\ss}_{i}.$ Clearly $Q_{V}\subseteq\underset{k=1}{\overset{n}{\cap}}Q_{V^{(k)}}$ so that $\underset{k=1}{\overset{n}{\cap}}Q_{V^{(k)}}\neq\emptyset.$ Since $D$ is compact and the family $\\{Q_{V}:V\in\text{\ss}\\}$ has the finite intersection property, we have that $\cap\\{Q_{V}:V\in\text{\ss}\\}\neq\emptyset.$ Take any $x^{\ast}\in\cap\\{Q_{V}:V\in$ß$\\},$ then for each $V_{i}\in\text{\ss}_{i},$ $x_{i}^{\ast}\in\overline{S_{i}^{V_{i}}}(x^{\ast})$. According to Lemma 2.2,__ we have that __ $x_{i}^{\ast}\in\overline{S_{i}}(x^{\ast}),$ for each $i\in I,$ therefore $x_{i}^{\ast}\in T(x^{\ast}).$ $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \square$ If $\left|I\right|=1$ we get the result below. Corollary 3.1 Let $X$ be a nonempty subset of a Hausdorff locally convex topological vector space $F,$ $D$ be a nonempty compact convex subset of $X$ and $S,T:X\rightrightarrows X$ be two set valued maps with the following conditions: 1) for each $x\in X,$ $\overline{S}(x)\subseteq T(x)$ and $S(x)\neq\emptyset,$ 2) $S$ is almost w-upper semicontinuous with respect to $D$ and $\overline{S^{V}}$ is convex valued for each open absolutely convex symmetric neighborhood $V$ of $0$ in $E$. Then, there exists a point $x^{\ast}\in D$ such that $x^{\ast}\in T(x^{\ast}).$ In the particular case that the set valued map $S=T$ the following result stands. Corollary 3.2 Let $X$ be a nonempty subset of a Hausdorff locally convex topological vector space $F,$ $D$ be a nonempty compact convex subset of $X$ and $T:X\rightrightarrows X$ be an almost w- upper semicontinuous set valued map with respect to $D$ and $\overline{T^{V}}$ is convex valued for each open absolutely convex symmetric neighborhood $V$ of $0$ in $E$. Then, there exists a point $x^{\ast}\in D$ such that $x^{\ast}\in\overline{T}(x^{\ast}).\vskip 6.0pt plus 2.0pt minus 2.0pt$ 4\. Application in the Equilibrium Theory 4.1 The Model of an Abstract Economy We will consider further Yuan’s model of an abstract economy (see [23]). Let $I$ be a nonempty set (the set of agents). For each $i\in I$, let $X_{i}$ be a non-empty subset of a topological vector space representing the agent’s $i$ set of actions and define $X:=\underset{i\in I}{\prod}X_{i}$; let $A_{i}$, $B_{i}:X\rightrightarrows X_{i}$ be the constraint set valued maps and $P_{i}$ the preference set valued map. Definition 4.1 [23] An abstract economy $\Gamma=(X_{i},A_{i},P_{i},B_{i})_{i\in I}$ is defined as a family of ordered quadruples $(X_{i},A_{i},P_{i},B_{i})$. Definition 4.2 [23] An equilibrium for $\Gamma$ is defined as a point $x^{\ast}\in X$ such that for each $i\in I$, $x_{i}^{\ast}\in\overline{B}_{i}(x^{\ast})$ and $A_{i}(x^{\ast})\cap P_{i}(x^{\ast})=\emptyset$. Remark 4.1 When, for each $i\in I$, $A_{i}(x)=B_{i}(x)$ for all $x\in X,$ the abstract economy model coincides with the classical one introduced by Borglin and Keiding in [3]. If in addition, $\overline{B}_{i}(x^{\ast})=$cl${}_{X_{i}}$ $B_{i}(x^{\ast})$ for each $x\in X,$ which is the case where $B_{i}$ has a closed graph in $X\times X_{i}$, the definition of equilibrium coincides with the one used by Yannelis and Prabhakar in [22]. Remark 4.2 If the preference set valued map $P_{i}$ is defined by using a utility function $u_{i}$, that is $P_{i}(x)=\\{y\in X_{i}:u_{i}(y)>u_{i}(x_{i})\\},$ the irreflexibility condition $x_{i}\notin\overline{P_{i}}\left(x\right),$ which appears among the hypothesis of the existence equilibrium theorems, may fail. A case in which this condition is verified, is when $P_{i}$ is an order interval preference. Order interval preferences are studied, for instance, in Chateauneuf [5]. These preference relations $\prec$ (on $X$) are representable, if two real valued functions $u$ and $v$ on $X$ exist and are such that: $x\prec y$ $\Leftrightarrow$ $u(x)<v(y)$. If a representation of the preference relation $\prec_{i}$ exist, we can define the preference set valued map $P_{i}$ by $P_{i}(x)=\\{y\in X_{i}:v_{i}(y)>u_{i}(x_{i})\\}$ and the condition $x_{i}\notin\overline{P_{i}}\left(x\right)$ can be fulfilled. 4.2 Examples of Abstract Economies with Two Constraint Set Valued Maps A first example of an abstract economy with two constraint set valued maps is the one associated to the model proposed by Radner [14] and his followers. This is a model of a pure exchange economy with two periods, present and future, and uncertainty on the state of nature in the future. There is a finite number $n$ of agents and a finite number $m$ of possible future states of nature. Let $I=\\{1,2,...,n\\}$ be the set of agents and $\Omega=\\{s_{1},s_{2},...,s_{m}\\}$ the set of the future states of the nature. Each agent has his own private, and tipically incomplete, information about the future state of nature. For each agent $i$ in $I$, the initial private information is a partition on $\Omega$ , induced by a signal $\pi_{i}:\Omega\rightarrow Y_{i}$. In Radner [14], agents make decisions today without knowing the future state of nature tomorrow. The initial agent’s information is kept fixed and their consumption plans need to be made compatible with their information, in the sense that their consumption must be the same in states that they do not distinguish. In a different framework, Radner [15] consider the notion of rational expectation equilibrium. In this model, agents are able to forecast the future equilibrium price. Consequently, their initial information is updated with a signal given by the future equilibrium prices $p$ and a more refined partition of $\Omega$ is obtained as the joint of the initial information and the information generated by $\widehat{\pi_{i}}(p):\Omega\rightarrow\Delta$, defined by $\widehat{\pi_{i}}(p)(s)=p_{i}(s)$, where $\Delta$ be the normalized set of prices. Here, we consider a model in which agents may be able to learn from market signals. These market signal are summarized by equilibrium prices that may not be fully revealing. Without loss of generality, let denote the joint of the initial information and the information generated by prices by $\widehat{\pi_{i}}$. For agent $i$ in $I$, the consumption plan in the first period will be denoted by $x_{0}^{i}\in IR_{+}^{l}$ and in the second period, for each state $s_{j},$ $j=1,2,...,m$, it will be denoted by $x_{j}^{i}\in IR_{+}^{l}.$ A bundle for agent $i$ is $\ x^{i}=(x_{0}^{i},x_{1}^{i},x_{2}^{i},...,x_{m}^{i}).$ Let $X_{i}=IR_{+}^{ml+1}.$ Each agent has a preference set valued map $Q_{i}^{\prime}:\mathop{\textstyle\prod}\limits_{i\in I}X_{i}\rightrightarrows X_{i}$ and an initial endowment $e^{i}=(e_{0}^{i},e_{1}^{i},e_{2}^{i},...,e_{m}^{i})\in X_{i}.$ Definition 4.3 A pure exchange economy with assymmetric information is the family $\mathcal{E=}(I,\Omega,\widehat{\pi}_{i},Q_{i}^{\prime},e^{i})_{i\in I}.$ Definition 4.4 An allocation for the economy $\mathcal{E}$ is $x=(x^{i})_{i\in I}.$ The allocation is called phisically feasible if $\mathop{\textstyle\sum}\limits_{i\in I}x^{i}\leq\mathop{\textstyle\sum}\limits_{i\in I}e^{i}$ and informationally feasible for each agent $i$ if $\widehat{\pi}_{i}(p)(s)=\widehat{\pi}_{i}(p)(s^{\prime})$ implies $x_{s}^{i}=x_{s^{\prime}}^{i}.$ Let $p_{0}$ be the price in the first period, for the second period let $p_{j}$ be the price in the state $j,$ $j=1,2,...,m$ and let $p=(p_{0},p_{1},...,p_{m}).$ Let $\Delta$ be the normalized set of prices. Without loss of generality, we assume that $p$ belongs to $\Delta$. The budget set valued map of agent $i$ is $B_{i}:\Delta\rightrightarrows IR_{+}^{lm+1},$ defined by $B_{i}(p)=\\{x^{i}\in IR_{+}^{lm+1}:px^{i}<pe^{i}\\}.$ The information set valued map of agent $i$ is $I_{i}:\Delta\rightrightarrows IR_{+}^{lm+1},$ defined by $I_{i}(p)=\\{x^{i}\in IR_{+}^{lm+1}:x_{s}^{i}=x_{s^{\prime}}^{i}$ if $\widehat{\pi}_{i}(p)(s)=\widehat{\pi}_{i}(p)(s^{\prime})\\}.$ Definition 4.5 The pair $(x^{\ast},p^{\ast})\in IR_{+}^{n(lm+1)}\times\Delta$ is an equilibrium for the asymmetrically informed economy $\mathcal{E}$ if 1) $\mathop{\textstyle\sum}\limits_{i\in I}(x^{\ast})^{i}\leq\mathop{\textstyle\sum}\limits_{i\in I}e^{i}$ and for each $i\in I,$ 2) $(x^{\ast})^{i}\in\overline{I_{i}}(p^{\ast})\cap\overline{B_{i}}(p^{\ast});$ 3) $y^{i}\in Q_{i}^{\prime}(x^{\ast})\cap I_{i}(p^{\ast})$ implies that $y^{i}\notin B_{i}(p^{\ast}).\vskip 6.0pt plus 2.0pt minus 2.0pt$ Let $X:=\mathop{\textstyle\prod}\limits_{i\in I}X_{i}\times\Delta,$ where for $i\in I,$ $X_{i}=IR_{+}^{lm+1}$ is the consumption set of agent $i.$ Let’s define the following set valued maps: -for each $i\in I,$ $Q_{i}:X\rightrightarrows X_{i}$ is the preference set valued map defined by $Q_{i}(x,p)=Q_{i}^{\prime}(x)$ for each $(x,p)\in X;$ \- $Q_{n+1}:X\rightrightarrows\Delta$ is the preference set valued map defined by $Q_{n+1}(x,p):=\\{q\in\Delta:q(\mathop{\textstyle\sum}\limits_{i\in I}(x^{i}-e^{i}))>p(\mathop{\textstyle\sum}\limits_{i\in I}(x^{i}-e^{i}))\\}$ for each $(x,p)\in X;$ -for $i\in I,$ $A_{i}:X\rightrightarrows 2^{X_{i}}$ is defined by $A_{i}(x,p):=\\{y^{i}\in IR_{+}^{lm+1}:py^{i}<pe^{i}\\}$ for each $(x,p)\in X;$ -$A_{n+1}:X\rightrightarrows\Delta$ is defined by $A_{n+1}(x,p):=\Delta$ for each $(x,p)\in X;$ -for $i\in I,$ $I_{i}:X\rightrightarrows X_{i}$ is defined by $I_{i}(x,p):=\\{y^{i}\in IR_{+}^{lm+1}:y_{s}^{i}=y_{s^{\prime}}^{i}$ if $\widehat{\pi}_{i}(p)(s)=\widehat{\pi}_{i}(p)(s^{\prime})\\}$ for each $(x,p)\in X;$ \- $I_{n+1}:X\rightrightarrows\Delta$ is defined by $I_{n+1}(x,p):=\Delta$ for each $(x,p)\in X;\vskip 6.0pt plus 2.0pt minus 2.0pt$ Definition 4.6 The abstract economy associated to the model of the pure exchange economy with assymmetric information is $\Gamma=(X_{i},A_{i},P_{i},B_{i})_{i\in\\{1,2,...,n+1\\}},$ where: -for $i\in I,$ $X_{i}:=IR_{+}^{lm+1}$ is the consumption set of agent $i$ and let $X:=\mathop{\textstyle\prod}\limits_{i\in I}X_{i}\times\Delta;$ -$P_{i}:X\rightrightarrows X_{i}$ $(i\in I)$ and $P_{n+1}:X\rightrightarrows\Delta$ are the preference set valued maps defined by $P_{i}(x,p)=Q_{i}(x,p)\cap I_{i}(x,p)$ for each $(x,p)\in X$ and $i\in\\{1,2,...,n+1\\};$ -$A_{i}:X\rightrightarrows X_{i}$ $(i\in I)$ and $A_{n+1}:X\rightrightarrows\Delta$ are the constraint set valued maps defined above; -$B_{i}:X\rightrightarrows X_{i}$ $(i\in I)$ and $B_{n+1}:X\rightrightarrows\Delta$ are the constraint set valued maps defined by $B_{i}(x,p):=A_{i}(x,p)\cap I_{i}(x,p)$ for each $(x,p)\in X$ and $i\in\\{1,2,...,n+1\\}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Remark 4.3 We note that $A_{i}(x,p)\cap P_{i}(x,p)\subseteq B_{i}(x,p)$ for each $(x,p)\in X$ and for each $i\in\\{1,2,...,n+1\\}.$ Proposition 4.1 An equilibrium for the associated abstract economy $\Gamma$ is an equilibrium of the economy with assymmetric information $E$. Proof Let $(x^{\ast},p^{\ast})$ be an equilibrium for $\Gamma.$ 1) For each $i\in\\{1,2,...,n\\},$ we have that $(x^{\ast})^{i}\in\overline{B_{i}}(x^{\ast},p^{\ast})=\overline{(A_{i}\cap I_{i})}(x^{\ast},p^{\ast})$ and then, by definition of $A_{i}$ and $I_{i},$ $(x^{\ast})^{i}\in\overline{(I_{i}\cap B_{i})}(p^{\ast})$; 2) $p^{\ast}\in\overline{B_{n+1}}(x^{\ast},p^{\ast})=\Delta;$ 3) for each $i\in\\{1,2,...,n\\},$ we have that $A_{i}(x^{\ast},p^{\ast})\cap P_{i}(x^{\ast},p^{\ast})=\phi$, which implies that if $y^{i}\in P_{i}(x^{\ast},p^{\ast})=Q_{i}(x^{\ast},p^{\ast})\cap I_{i}(x^{\ast},p^{\ast}),$ then $y^{i}\notin A_{i}(x^{\ast},p^{\ast});$ This means that $y^{i}\in Q_{i}^{\prime}(x^{\ast})\cap I_{i}(p^{\ast})$ implies that $y^{i}\notin B_{i}(p^{\ast});$ 4) we have that $A_{n+1}(x^{\ast},p^{\ast})\cap P_{n+1}(x^{\ast},p^{\ast})=\phi$, which is equivalent with $\\{q\in\Delta:q(\mathop{\textstyle\sum}\limits_{i\in I}((x^{\ast})^{i}-e^{i}))>p^{\ast}(\mathop{\textstyle\sum}\limits_{i\in I}((x^{\ast})^{i}-e^{i}))\\}\cap\Delta=\phi.$ This fact implies that $q(\mathop{\textstyle\sum}\limits_{i\in I}((x^{\ast})^{i}-e^{i}))\leq p^{\ast}(\mathop{\textstyle\sum}\limits_{i\in I}((x^{\ast})^{i}-e^{i}))\leq 0$ for all $q\in\Delta.$ If we choose $q$ as a vector of the canonical basis of $IR^{ml+1},$ that is $q_{j}=1$ and $q_{i}=0$ for $i\neq j,$ where $i,j\in\\{1,2,...,ml+1\\},$ we obtain that $\mathop{\textstyle\sum}\limits_{i\in I}(x^{\ast})^{i}\leq\mathop{\textstyle\sum}\limits_{i\in I}e^{i}.$ $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \square\vskip 6.0pt plus 2.0pt minus 2.0pt$ The second example is the abstract economy associated to an exchange economy with two constraint set valued maps, the first one being the budget set valued map and the second one being the consumption set that depends on prices. The third example follows the idea of an exchange economy which has, beyond the budget set valued map, a second constraint set valued map $G_{i},$ defined by the delivery conditions as stated in the paper by Correia-da-Silva and Herves-Beloso [6]. Let’s assume that the set of the states of nature is $\Omega=\\{1,2,...,m\\}$, the future prices are $p_{1},p_{2},...,p_{m}\in IR_{+}^{l}$ and that each agent $i$ has a signal $f_{i}:\Omega\rightarrow Y_{i}$ such that $f_{i}(s)=f_{i}(s^{\prime})$ if $s$ and $s^{\prime}$ are states that cannot be distinguished. The agent $i$ chooses a portfolio $y(s)$ in the following way: $p_{s}y(s)\leq p_{s}y(s^{\prime})$ for all $s^{\prime}$ such that $f_{i}(s^{\prime})=f_{i}(s).$ The set valued map $G_{i}:X\times\Delta\rightrightarrows IR^{lm}$ is defined by $G_{i}(x,p)=\\{y\in IR^{lm}:p_{s}y(s)\leq p_{s}y(s^{\prime})$ for all $s^{\prime}$ such that $f_{i}(s^{\prime})=f_{i}(s)\\}.\vskip 6.0pt plus 2.0pt minus 2.0pt$ 4.3 The Existence of Equilibria in Locally Convex Spaces As an application of the fixed point Theorem 3.1, we have the following result. Theorem 4.1 Let $\Gamma=\left\\{X_{i},A_{i},B_{i},P_{i}\right\\}_{i\in I}$ be an abstract economy such that for each $i\in I,$ the following conditions are fulfilled: 1) $X_{i}$ is a nonempty convex subset of a Hausdorff locally convex topological vector space $E_{i}\,$ and $D_{i}$ is a nonempty compact convex subset of $X_{i}$; 2) for each $x\in X:=\prod\limits_{i\in I}X_{i},$ $A_{i}\left(x\right)$ and $P_{i}(x)$ are convex, $B_{i}\left(x\right)$ is nonempty, convex and $A_{i}\left(x\right)\cap P_{i}(x)\subset B_{i}(x)$; 3) $W_{i}:=\left\\{x\in X:A_{i}\left(x\right)\cap P_{i}\left(x\right)\neq\emptyset\right\\}$ is open in $X$. 4) $H_{i}:X\rightrightarrows X_{i}$ defined by $H_{i}\left(x\right):=A_{i}(x)\cap P_{i}\left(x\right)$ for each $x\in X$ is almost w-upper semicontinuous with respect to $D_{i}$ on $W_{i}$ and $\overline{H_{i}^{V_{i}}}$ is convex nonempty valued for each open absolutely convex symmetric neighborhood $V_{i}$ of $0$ in $E_{i}$; 5) $B_{i}:X\rightrightarrows X_{i}$ is almost w-upper semicontinuous with respect to $D_{i}$ and $\overline{B_{i}^{V_{i}}}$ is convex nonempty valued for each open absolutely convex symmetric neighborhood $V_{i}$ of $0$ in $E_{i}$; 6) for each $x\in X$ , $x_{i}\notin\overline{\mathit{(}A_{i}\cap P_{i})}\left(x\right)$; Then there exists $x^{\ast}\in D=$ $\prod\limits_{i\in I}D_{i}$ such that $x_{i}^{\ast}\in\overline{B}_{i}\left(x^{\ast}\right)$ and $(A_{i}\cap P_{i})(x^{\ast})=\emptyset$ for each $i\in I.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Proof Let $i\in I.$ By condition (3) we know that $W_{i}$ is open in $X.$ Let’s define $T_{i}:X\rightrightarrows X_{i}$ by $T_{i}\left(x\right):=\left\\{\begin{array}[]{c}A_{i}\left(x\right)\cap P_{i}\left(x\right),\text{ if }x\in W_{i},\\\ B_{i}\left(x\right),\text{ \ \ \ \ \ \ \ \ \ \ \ if }x\notin W_{i}\end{array}\right.$ for each $x\in X.$ Then $T_{i}:X\rightrightarrows X_{i}$ is a set valued map with nonempty convex values. We shall prove that $T_{i}:X\rightrightarrows D_{i}$ is almost w-upper semicontinuous with respect to $D_{i}$. Let ßi be a basis of open absolutely convex symmetric neighborhoods of $0$ in $E_{i}$ and let ß=$\mathop{\textstyle\prod}\limits_{i\in I}$ß${}_{i}.$ For each $V=(V_{i})_{i\in I}\in\mathop{\textstyle\prod}\limits_{i\in I}$ß${}_{i},$ for each $x\in X,$ let for each $i\in I$ $B^{V_{i}}(x):=(B_{i}\left(x\right)+V_{i})\cap D_{i}$, $F^{V_{i}}(x):=((A_{i}\left(x\right)\cap P_{i}\left(x\right))+V_{i})\cap D_{i}$ and $T_{i}^{V_{i}}(x)"=\left\\{\begin{array}[]{c}F^{V_{i}}(x),\text{ if }x\in W_{i},\\\ B^{V_{i}}(x),\text{\ if }x\notin W_{i}.\end{array}\right.$ For each open set $V_{i}^{\prime}$ in $D_{i}$, the set $\left\\{x\in X:\overline{T_{i}^{V_{i}}}\left(x\right)\subset V_{i}^{\prime}\right\\}=$ $=\left\\{x\in W_{i}:\overline{F^{V_{i}}}(x)\subset V_{i}^{\prime}\right\\}\cup\left\\{x\in X\smallsetminus W_{i}:\overline{B^{V_{i}}}(x)\subset V_{i}^{{}^{\prime}}\right\\}$ $=\left\\{x\in W_{i}:\overline{F^{V_{i}}}(x)\subset V_{i}^{{}^{\prime}}\right\\}\cup\left\\{x\in X:\overline{B^{V_{i}}}(x)\subset V_{i}^{\prime}\right\\}.$ According to condition (4), the set $\left\\{x\in W_{i}:\overline{F^{V_{i}}}(x)\subset V_{i}^{\prime}\right\\}$ is open in $X$. The set $\left\\{x\in X:\overline{B^{V_{i}}}(x)\subset V_{i}^{\prime}\right\\}$ is open in $X$ because $\overline{B^{V_{i}}}$ is upper semicontinuous. Therefore, the set $\left\\{x\in X:\overline{T_{i}^{V_{i}}}\left(x\right)\subset V_{i}^{\prime}\right\\}$ is open in $X.$ It shows that $\overline{T_{i}^{V_{i}}}:X\rightrightarrows D_{i}$ is upper semicontinuous. According to Theorem 3.1, there exists $x^{\ast}\in D=$ $\prod\limits_{i\in I}D_{i}$ such that $x^{\ast}\in\overline{T}_{i}\left(x^{\ast}\right),$ for each $i\in I.$ By condition (5) we have that $x_{i}^{\ast}\in\overline{B}_{i}\left(x^{\ast}\right)$ and $(A_{i}\cap P_{i})(x^{\ast})=\emptyset$ for each $i\in I.$ $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \square\vskip 6.0pt plus 2.0pt minus 2.0pt$ Example 4.1 Let $\Gamma=\left\\{X_{i},A_{i},B_{i},P_{i}\right\\}_{i\in I}$ be an abstract economy, where $I=\\{1,2,...,n\\},$ $X_{i}:=[0,4]$ be a compact convex choice set, $D_{i}:=[0,2]$ for each $i\in I$ and $X:=\prod\limits_{i\in I}X_{i}$. Let the set valued maps $A_{i},B_{i},P_{i}:X\rightrightarrows X_{i}$ be defined as follows: for each $(x_{1},x_{2},...,x_{n})\in X,$ $A_{i}(x):=\left\\{\begin{array}[]{c}[1-x_{i},2]\text{ if }x\in(0,\frac{1}{2})^{n};\\\ [1-x_{i},2)\text{ if }x\in[\frac{1}{2},1)^{n};\\\ [3,4]\text{ \ \ \ \ \ \ \ \ \ \ \ if \ \ \ \ \ }x=0;\\\ [0,\frac{1}{2}]\text{, \ \ \ \ \ \ \ \ \ \ \ \ otherwise;}\end{array}\right.$ $P_{i}(x):=\left\\{\begin{array}[]{c}[\frac{3}{2},2+x_{i}]\text{ if }x\in[0,1)^{n};\\\ [1,2]\text{, \ \ \ \ \ \ \ \ \ \ \ \ \ \ otherwise;}\end{array}\right.$ $B_{i}(x):=\left\\{\begin{array}[]{c}[0,2]\text{ if }x\in[0,1);\\\ [3,4]\text{ \ \ \ if \ \ \ }x=0;\\\ [0,2)\text{,\ \ \ \ \ otherwise.}\end{array}\right.$ The set valued maps $A_{i},B_{i},P_{i}$ are not upper semicontinuous on $X.$ $A_{i}(x)\cap P_{i}(x):=\left\\{\begin{array}[]{c}[\frac{3}{2},2]\text{ if }x\in(0,\frac{1}{2})^{n};\\\ [\frac{3}{2},2)\text{ if }x\in[\frac{1}{2},1)^{n};\\\ \phi\text{, \ \ \ \ \ \ \ \ \ \ \ \ \ \ otherwise.}\end{array}\right.$ $W_{i}:=\left\\{x\in X:A_{i}\left(x\right)\cap P_{i}\left(x\right)\neq\emptyset\right\\}=(0,1)^{n}$ is open in $X.$ $\overline{\mathit{(}A_{i}\cap P_{i})}\left(x\right):=\left\\{\begin{array}[]{c}[\frac{3}{2},2]\text{ if }x\in[0,1]^{n};\\\ \phi\text{, \ \ \ \ \ \ \ \ \ \ \ otherwise.}\end{array}\right.$ We notice that for each $x\in X$ , $x_{i}\notin\overline{\mathit{(}A_{i}\cap P_{i})}\left(x\right).$ We shall prove that $B_{i}$ and $\mathit{(}A_{i}\cap P_{i})_{W_{i}}$ are almost w-upper semicontinuous with respect to $D_{i}=[0,2].$ On $W_{i},$ $\mathit{(}A_{i}\cap P_{i})\left(x\right):=\left\\{\begin{array}[]{c}[\frac{3}{2},2]\text{ if }x\in(0,\frac{1}{2})^{n};\\\ [\frac{3}{2},2)\text{ if }x\in[\frac{1}{2},1)^{n};\end{array}\right.,$ $\mathit{(}A_{i}\cap P_{i})\left(x\right)+(-\varepsilon,\varepsilon)=(\frac{3}{2}-\varepsilon,2+\varepsilon)$ if $x\in(0,1)^{n};$ Let $\mathit{(}A_{i}\cap P_{i})^{V}\left(x\right)=(\mathit{(}A_{i}\cap P_{i})\left(x\right)+(-\varepsilon,\varepsilon))\cap[0,2],$ where $V=(-\varepsilon,\varepsilon).$ Then, if $\varepsilon\in(0,\frac{3}{2}],$ $\mathit{(}A_{i}\cap P_{i})^{V}\left(x\right)=(\frac{3}{2}-\varepsilon,2]$ if $x\in(0,1)^{n};$ if $\varepsilon>\frac{3}{2},$ $\mathit{(}A_{i}\cap P_{i})^{V}\left(x\right)=[0,2]$ if $x\in(0,1)^{n};$ Hence, for each $V=(-\varepsilon,\varepsilon),$ $\overline{\mathit{(}A_{i}\cap P_{i})^{V}}_{W_{i}}$ is upper semicontinuous and has nonempty values. $B_{i}\left(x\right)+(-\varepsilon,\varepsilon)=\left\\{\begin{array}[]{c}(-\varepsilon,\text{ }2+\varepsilon)\text{ if },\text{ }x\in(0,1)^{n};\\\ (3-\varepsilon,\text{ }4+\varepsilon)\text{\ \ \ if \ \ }x=0;\\\ (-\varepsilon,\text{ }2+\varepsilon)\text{ \ \ \ \ \ \ otherwise.}\end{array}\right.$ Let $B_{i}{}^{V}\left(x\right)=(B_{i}\left(x\right)+(-\varepsilon,\varepsilon))\cap[0,2],$ where $V=(-\varepsilon,\varepsilon).$ Then, if $\varepsilon\in(0,1],$ $B_{i}{}^{V}\left(x\right)=\left\\{\begin{array}[]{c}\phi\text{ \ \ \ \ \ if \ }x=0;\\\ [0,2]\text{\ otherwise;}\end{array}\right.$ if $\varepsilon\in(1,3],$ $B_{i}{}^{V}\left(x\right)=\left\\{\begin{array}[]{c}[0,2]\text{ if }x\in[0,1)^{n};\\\ (3-\varepsilon,2]\text{ if }x=0;\\\ [0,2],\text{ \ \ \ \ \ \ otherwise.}\end{array}\right.$ and if $\varepsilon>3,$ $B_{i}{}^{V}\left(x\right)=[0,2]$ if $x\in X.$ Then, for each $V=(-\varepsilon,\varepsilon),$ $\overline{B_{i}^{V}}$ is upper semicontinuous and has nonempty values. Therefore, all hypotheses of Theorem 4.1 are satisfied, so that there exist equilibrium points. For example, $x^{\ast}=\\{\frac{3}{2},\frac{3}{2},...,\frac{3}{2}\\}\in X$ verifies $x_{i}^{\ast}\in\overline{B}_{i}\left(x^{\ast}\right)$ and $(A_{i}\cap P_{i})(x^{\ast})=\emptyset.$ Theorem 4.2 deals with abstract economies which have dual w-upper semicontinuous pairs of set valued maps. Theorem 4.2 Let $\Gamma=\left\\{X_{i},A_{i},B_{i},P_{i}\right\\}_{i\in I}$ be an abstract economy such that for each $i\in I,$ the following conditions are fulfilled: 1) $X_{i}$ is a nonempty convex subset of a Hausdorff locally convex topological vector space $E_{i}\,$and $D_{i}$ is a nonempty compact convex subset of $X_{i}$; 2) for each $x\in X:=\prod\limits_{i\in I}X_{i},$ $P_{i}(x)\subset D_{i},$ $A_{i}\left(x\right)\cap P_{i}\left(x\right)\subset B_{i}\left(x\right)$ and $B_{i}\left(x\right)$ is nonempty; 3) the set $W_{i}:=\left\\{x\in X:A_{i}\left(x\right)\cap P_{i}\left(x\right)\neq\emptyset\right\\}$ is open in $X$; 4) the pair $(A_{i\mid\text{cl}W_{i}},P_{i\mid\text{cl}W_{i}})$ is dual almost w-upper semicontinuous with respect to $D_{i}$, $B_{i}:X\rightrightarrows X_{i}$ is almost w-upper semicontinuous with respect to $D_{i}$; 5) if $T_{i,V_{i}}:X\rightrightarrows X_{i}$ is defined by $T_{i,V_{i}}(x):=(A_{i}(x)+V_{i})\cap D_{i}\cap P_{i}(x)$ for each $x\in X,$ then the set valued maps $\overline{B_{i}^{V_{i}}}$ and $\overline{T_{i,V_{i}}}$ are nonempty convex valued for each open absolutely convex symmetric neighborhood $V_{i}$ of $0$ in $E_{i}$; 6) for each $x\in X$ , $x_{i}\notin\overline{P}_{i}\left(x\right)$; Then, there exists $x^{\ast}\in D:=$ $\prod\limits_{i\in I}D_{i}$ such that $x_{i}^{\ast}\in\overline{B}_{i}\left(x^{\ast}\right)$ and $A_{i}\left(x^{\ast}\right)\cap P_{i}\left(x^{\ast}\right)=\emptyset$ for all $i\in I.\vskip 6.0pt plus 2.0pt minus 2.0pt$ Proof For each $i\in I,$ let ßi denote the family of all open absolutely convex symmetric neighborhoods of zero in $E_{i}$ and let ß$=\mathop{\textstyle\prod}\limits_{i\in I}$ß${}_{i}.$ For each $V=\mathop{\textstyle\prod}\limits_{i\in I}V_{i}\in\mathop{\textstyle\prod}\limits_{i\in I}$ß${}_{i},$ for each $i\in I,$ let $B^{V_{i}}(x):=(B_{i}\left(x\right)+V_{i})\cap D_{i}$ for each $x\in X$ and $S_{i}^{V_{i}}\left(x\right):=\left\\{\begin{array}[]{c}T_{i,V_{i}}(x),\text{ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ if }x\in W_{i},\\\ B_{i}^{V_{i}}(x),\text{ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ if }x\notin W_{i},\end{array}\right.$ $\overline{S_{i}^{V_{i}}}$ has closed values. Next, we shall prove that $\overline{S_{i}^{V_{i}}}:X\rightrightarrows D_{i}$ is upper semicontinuous. For each open set $V^{\prime}$ in $D_{i}$, the set $\left\\{x\in X:\overline{S_{i}^{V_{i}}}\left(x\right)\subset V^{\prime}\right\\}=$ $=\left\\{x\in W_{i}:\overline{T_{i,V_{i}}}(x)\subset V^{\prime}\right\\}\cup\left\\{x\in X\smallsetminus W_{i}:\overline{B_{i}^{V_{i}}}(x)\subset V^{\prime}\right\\}$ =$\left\\{x\in W_{i}:\overline{T_{i,V_{i}}}(x)\subset V^{\prime}\right\\}\cup\left\\{x\in X:\overline{B_{i}^{V_{i}}}(x)\subset V^{\prime}\right\\}.$ We know that the set valued map $\overline{T_{i,V_{i}}}(x)_{\mid W_{i}}:$ $W_{i}\rightrightarrows D_{i}$ is upper semicontinuous. The set $\left\\{x\in W_{i}:\overline{T_{i,V_{i}}}(x)\subset V^{\prime}\right\\}$ is open in $X.$ Since $\overline{B_{i}^{V_{i}}}(x):X\rightrightarrows D_{i}$ is upper semicontinuous, the set $\\{x\in X:\overline{B_{i}^{V_{i}}}(x)\\}\subset V^{\prime}$ is open in $X$ and therefore, the set $\left\\{x\in X:\overline{S_{i}^{V_{i}}}\left(x\right)\subset V^{\prime}\right\\}$ is open in $X$. It proves that $\overline{S_{i}^{V_{i}}}:X\rightrightarrows D_{i}$ is upper semicontinuous. According to Himmelberg’s Theorem, applied for the set valued maps $\overline{S_{i}^{V_{i}}},$ there exists a point $x_{V}^{\ast}\in D=$ $\prod\limits_{i\in I}D_{i}$ such that $(x_{V}^{\ast})_{i}\in S_{i}^{V_{i}}\left(x_{V}^{\ast}\right)$ for each $i\in I.$ By condition (5), we have that $(x_{V}^{\ast})_{i}\notin\overline{P_{i}}\left(x_{V}^{\ast}\right),$ hence, $(x_{V}^{\ast})_{i}\notin\overline{A_{i}^{V_{i}}}\left(x_{V}^{\ast}\right)\cap\overline{P_{i}}\left(x_{V}^{\ast}\right)$. We also have that cl Gr $(T_{i,V_{i}})\subseteq$ cl Gr $(A_{i}^{V_{i}})\cap$cl Gr $P_{i}.$ Then $\overline{T_{i,V_{i}}}(x)\subseteq$ $\overline{A_{i}^{V_{i}}}(x)\cap\overline{P_{i}}\left(x\right)$ for each $x\in X.$ It follows that $(x_{V}^{\ast})_{i}\notin\overline{T_{i,V_{i}}}(x_{V}^{\ast}).$ Therefore, $(x_{V}^{\ast})_{i}\in\overline{B^{V_{i}}}\left(x_{V}^{\ast}\right).$ For each $V=(V_{i})_{i\in I}\in\mathop{\textstyle\prod}\limits_{i\in I}$ß${}_{i},$ let’s define $Q_{V}=\cap_{i\in I}\\{x\in D:x\in\overline{B^{V_{i}}}\left(x\right)$ and $A_{i}\left(x\right)\cap P_{i}\left(x\right)=\emptyset\\}.$ $Q_{V}$ is nonempty since $x_{V}^{\ast}\in Q_{V},$ and it is a closed subset of $D$ according to (3). Then, $Q_{V}$ is nonempty and compact. Let ß=$\mathop{\textstyle\prod}\limits_{i\in I}$ß${}_{i}.$ We prove that the family $\\{Q_{V}:V\in\text{\ss}\\}$ has the finite intersection property. Let $\\{V^{(1)},V^{(2)},...,V^{(n)}\\}$ be any finite set of ß and let $V^{(k)}=\underset{i\in I}{\mathop{\textstyle\prod}}V_{i}^{(k)}{}_{i\in I}$, $k=1,...,n.$ For each $i\in I$, let $V_{i}=\underset{k=1}{\overset{n}{\cap}}V_{i}^{(k)}$, then $V_{i}\in\text{\ss}_{i};$ thus $V\in\underset{i\in I}{\mathop{\textstyle\prod}}\text{\ss}_{i}.$ Clearly $Q_{V}\subset\underset{k=1}{\overset{n}{\cap}}Q_{V^{(k)}}$ so that $\underset{k=1}{\overset{n}{\cap}}Q_{V^{(k)}}\neq\emptyset.$ Since $D$ is compact and the family $\\{Q_{V}:V\in\text{\ss}\\}$ has the finite intersection property, we have that $\cap\\{Q_{V}:V\in\text{\ss}\\}\neq\emptyset.$ Take any $x^{\ast}\in\cap\\{Q_{V}:V\in$ß$\\},$ then for each $V\in\text{\ss},$ $x^{\ast}\in\cap_{i\in I}\left\\{x^{\ast}\in D:x_{i}^{\ast}\in\overline{B^{V_{i}}}\left(x\right)\text{ and }A_{i}\left(x\right)\cap P_{i}\left(x\right)=\emptyset)\right\\}.$ Hence, $x_{i}^{\ast}\in\overline{B^{V_{i}}}\left(x^{\ast}\right)$ for each $V\in$ß and for each $i\in I.$ According to Lemma __ 2.2,__ we have that __ $x_{i}^{\ast}\in\overline{B_{i}}(x^{\ast})$ and $(A_{i}\cap P_{i})(x^{\ast})=\emptyset$ for each $i\in I.$ $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \square$ We now introduce the following concept, which also generalizes the concept of lower semicontinuous set valued maps. Definition 4.7 Let $X$ be a non-empty convex subset of a topological linear space $E$, $Y$ be a non-empty set in a topological space and $K\subseteq X\times Y.$ The set valued map $T:X\times Y\rightrightarrows X$ has the e-USCS-property (e-upper semicontinuous selection property) on $K,$ if for each absolutely convex neighborhood $V$ of zero in $E,$ there exists an upper semicontinuous set valued map with convex values $S^{V}:X\times Y\rightrightarrows X$ such that $S^{V}(x,y)\subset T(x,y)+V$ and $x\notin$cl $S^{V}(x,y)$ for every $(x,y)\in K$. The following theorem is an equilibrium existence result for economies with constraint set valued maps having e-USCS-property. Theorem 4.3 Let $\Gamma=(X_{i},A_{i},P_{i},B_{i})_{i\in I}$ be an abstract economy, where $I$ is a (possibly uncountable) set of agents such that for each $i\in I:$ (1) $X_{i}$ is a non-empty compact convex set in a locally convex space $E_{i}$; (2) cl $B_{i}$ is upper semicontinuous with non-empty convex values; (3) the set $W_{i}:$ $=\left\\{x\in X\text{ / }\left(A_{i}\cap P_{i}\right)(x)\neq\emptyset\right\\}$ is open; (3) cl $(A_{i}\cap P_{i})$ has the e-USCS-property on $W_{i}$. Then there exists an equilibrium point $x^{\ast}\in X$ for $\Gamma$,$\ i.e.$, for each $i\in I$, $x_{i}^{\ast}\in\overline{B}_{i}(x^{\ast})$ and $A_{i}(x^{\ast})\cap P_{i}(x^{\ast})=\emptyset$. Proof For each $i\in I$, let ßi denote the family of all open convex neighborhoods of zero in $E_{i}.$ Let $V=(V_{i})_{i\in I}\in\mathop{\textstyle\prod}\limits_{i\in I}$ß${}_{i}.$ Since cl $(A_{i}\cap P_{i})$ has the e-USCS-property on $W_{i}$, it follows that there exists an upper semicontinuous set valued map $F_{i}^{V_{i}}:X\rightrightarrows X_{i}$ such that $F_{i}^{V_{i}}(x)\subset$cl $(A_{i}\cap P_{i})(x)+V_{i}$ and $x_{i}\notin$cl $F_{i}^{V_{i}}(x)$ for each $x\in W_{i}$. Define the set valued map $T_{i}^{V_{i}}:X\rightrightarrows X_{i}$, by $T_{i}^{V_{i}}(x):=\left\\{\begin{array}[]{c}\text{cl }\\{F_{i}^{V_{i}}(x)\\}\text{, \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ if }x\in W_{i}\text{, }\\\ \text{cl }(B_{i}(x)+V_{i})\cap X_{i}\text{, \ \ \ \ \ \ \ \ \ if }x\notin W_{i}\text{;}\end{array}\right.$ $B_{i}^{V_{i}}:X\rightrightarrows X_{i},$ $B_{i}^{V_{i}}(x):=$cl $(B_{i}(x)+V_{i})\cap X_{i}=($cl $B_{i}(x)+$cl $V_{i})\cap X_{i}$ is upper semicontinuous by Lemma 2.1 _._ Let $U$ be an open subset of $\ X_{i}$, then $U^{{}^{\prime}}:=\\{x\in X$ $\mid T_{i}^{V_{i}}(x)\subset U\\}$ =$\\{x\in W_{i}$ $\mid T_{i}^{V_{i}}(x)\subset U\\}\cup\\{x\in X\setminus W_{i}$ $\mid$ $T_{i}^{V_{i}}(x)\subset U\\}$ =$\left\\{x\in W_{i}\text{ }\mid\text{cl }F_{i}^{V_{i}}(x)\subset U\right\\}\cup\left\\{x\in X\mid\text{ }(\text{cl }B_{i}(x)+\overline{V_{i}})\cap X_{i}\subset U\right\\}$ $U^{{}^{\prime}}$ is an open set, because $W_{i}$ is open, $\left\\{x\in W_{i}\text{ }\mid\text{cl }F_{i}^{V_{i}}(x)\subset U\right\\}$ is open since cl$F_{i}^{V_{i}}(x)$ is an upper semicontinuous map on $W_{i}.$ We have also that the set $\left\\{x\in X\mid\text{ }(\text{cl }B_{i}(x)+\text{cl }V_{i})\cap X_{i}\subset U\right\\}$ is open since $($cl $B_{i}+$cl $V_{i})\cap X_{i}$ is u.s.c. Then $T_{i}^{V_{i}}$ is upper semicontinuous on $X$ and has closed convex values. Define $T^{V}:X\rightrightarrows X$ by $T^{V}(x):=\underset{i\in I}{\prod}T_{i}^{V_{i}}(x)$ for each $x\in X$. $T^{V}$ is an upper semicontinuous set valued map and has also non-empty convex closed values. Since $X$ is a compact convex set, by Fan’s fixed-point theorem [8], there exists $x_{V}^{\ast}\in X$ such that $x_{V}^{\ast}\in T^{V}(x_{V}^{\ast})$, i.e., for each $i\in I$, $(x_{V}^{\ast})_{i}\in T_{i}^{V_{i}}(x_{V}^{\ast})$. If $x_{V}^{\ast}\in W_{i},$ $(x_{V}^{\ast})_{i}\in$cl $F_{i}^{V_{i}}(x_{V}^{\ast})$, which is a contradiction. Hence, $(x_{V}^{\ast})_{i}\in$cl $(B_{i}(x_{V}^{\ast})+V_{i})\cap X_{i}$ and $(A_{i}\cap P_{i})(x_{V}^{\ast})=\emptyset,$ i.e. $x_{V}^{\ast}\in Q_{V}$ where $Q_{V}=\cap_{i\in I}\\{x\in X:$ $x_{i}\in$cl $(B_{i}(x)+V_{i})\cap X_{i}$ and $(A_{i}\cap P_{i})(x)=\emptyset\\}.$ Since $W_{i}$ is open, $Q_{V}$ is the intersection of non-empty closed sets, therefore it is non-empty, closed in $X$. We prove that the family $\\{Q_{V}:V\in\underset{i\in I}{\mathop{\textstyle\prod}}\text{\ss}_{i}\\}$ has the finite intersection property. Let $\\{V^{(1)},V^{(2)},...,V^{(n)}\\}$ be any finite set of $\underset{i\in I}{\mathop{\textstyle\prod}\text{\ss}_{i}}$ and let $V^{(k)}=(V_{i}^{(k)})_{i\in I}$, $k=1,...n.$ For each $i\in I$, let $V_{i}=\underset{k=1}{\overset{n}{\cap}}V_{i}^{(k)}$, then $V_{i}\in\text{\ss}_{i};$ thus $V=(V_{i})_{i\in I}\in\underset{i\in I}{\mathop{\textstyle\prod}}\text{\ss}_{i}.$ Clearly $Q_{V}\subset\underset{k=1}{\overset{n}{\cap}}Q_{V^{(k)}}$ so that $\underset{k=1}{\overset{n}{\cap}}Q_{V^{(k)}}\neq\emptyset.$ Since $X$ is compact and the family $\\{Q_{V}:V\in\underset{i\in I}{\mathop{\textstyle\prod}}\text{\ss}_{i}\\}$ has the finite intersection property, we have that $\cap\\{Q_{V}:V\in\underset{i\in I}{\mathop{\textstyle\prod}}\text{\ss}_{i}\\}\neq\emptyset.$ Take any $x^{\ast}\in\cap\\{Q_{V}:V\in\underset{i\in I}{\mathop{\textstyle\prod}}\text{\ss}_{i}\\},$ then for each $i\in I$ and each $V_{i}\in\text{\ss}_{i},$ $x_{i}^{\ast}\in$cl$(B_{i}(x^{\ast})+V_{i})\cap X_{i}$ and $(A_{i}\cap P_{i})(x^{\ast})=\emptyset;$ but then $x_{i}^{\ast}\in\overline{B}_{i}(x^{\ast})$ from Lemma 2.2 __ and $(A_{i}\cap P_{i})(x^{\ast})=\emptyset$ for each $i\in I$ so that $x^{\ast}$ is an equilibrium point of $\Gamma$ in X. $\ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \ \square$ 5\. 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arxiv-papers
2013-04-03T17:52:09
2024-09-04T02:49:43.854129
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Carlos Herv\\'es-Beloso and Monica Patriche", "submitter": "Monica Patriche", "url": "https://arxiv.org/abs/1304.1033" }
1304.1062
# Heegaard Floer homology and rational cuspidal curves Maciej Borodzik Institute of Mathematics, University of Warsaw, ul. Banacha 2, 02-097 Warsaw, Poland [email protected] and Charles Livingston Department of Mathematics, Indiana University, Bloomington, IN 47405 [email protected] ###### Abstract. We apply the methods of Heegaard Floer homology to identify topological properties of complex curves in $\mathbb{C}P^{2}$. As one application, we resolve an open conjecture that constrains the Alexander polynomial of the link of the singular point of the curve in the case that there is exactly one singular point, having connected link, and the curve is of genus 0. Generalizations apply in the case of multiple singular points. ###### Key words and phrases: rational cuspidal curve, $d$–invariant, surgery, semigroup density ###### 2010 Mathematics Subject Classification: primary: 14H50, secondary: 14B05, 57M25, 57R58 The first author was supported by Polish OPUS grant No 2012/05/B/ST1/03195 The second author was supported by National Science Foundation Grant 1007196. ## 1\. Introduction We consider irreducible algebraic curves $C\subset\mathbb{C}P^{2}$. Such a curve has a finite set of singular points, $\\{z_{i}\\}_{i=1}^{n}$; a neighborhood of each intersects $C$ in a cone on a link $L_{i}\subset S^{3}$. A fundamental question asks what possible configurations of links $\\{L_{i}\\}$ arise in this way. In this generality the problem is fairly intractable and research has focused on a restricted case, in which each $L_{i}$ is connected, and thus a knot $K_{i}$, and $C$ is a rational curve, meaning that there is a rational surjective map $\mathbb{C}P^{1}\to C$. Such a curve is called rational cuspidal. Being rational cuspidal is equivalent to $C$ being homeomorphic to $S^{2}$. Our results apply in the case of multiple singular points, but the following statement gives an indication of the nature of the results and their consequences. ###### Theorem 1.1. Suppose that $C$ is a rational cuspidal curve of degree $d$ with one singular point, a cone on the knot $K$, and the Alexander polynomial of $K$ is expanded at $t=1$ to be $\Delta_{K}(t)=1+\frac{(d-1)(d-2)}{2}(t-1)+(t-1)^{2}\sum_{l}k_{l}t^{l}$. Then for all $j,0\leq j\leq d-3$, $k_{d(d-j-3)}=(j-1)(j-2)/2$. There are three facets to the work here: 1. (1) We begin with a basic observation that a neighborhood $Y$ of $C$ is built from the 4–ball by attaching a 2–handle along the knot $K=\\#K_{i}$ with framing $d^{2}$, where $d$ is the degree of the curve. Thus, its boundary, $S^{3}_{d^{2}}(K)$, bounds the rational homology ball $\mathbb{C}P^{2}\setminus Y$. From this, it follows that the Heegaard Floer correction term satisfies $d(S^{3}_{d^{2}}(K),{{\mathfrak{s}}}_{m})=0$ if $d|m$, for properly enumerated Spincstructures ${{\mathfrak{s}}}_{m}$. 2. (2) Because each $K_{i}$ is an algebraic knot (in particular an $L$–space knot), the Heegaard Floer complex $\operatorname{\it CFK}^{\infty}(S^{3},K_{i})$ is determined by the Alexander polynomial of $K_{i}$, and thus the complex $\operatorname{\it CFK}^{\infty}(S^{3},K)$ and the $d$–invariants are also determined by the Alexander polynomials of the $K_{i}$. 3. (3) The constraints that arise on the Alexander polynomials, although initially appearing quite intricate, can be reinterpreted in compact form using semigroups of singular points. In this way, we can relate these constraints to well-known conjectures. ### 1.1. The conjecture of Fernández de Bobadilla, Luengo, Melle-Hernandez and Némethi In [5] the following conjecture was proposed. It was also verified for all known examples of rational cuspidal curves. ###### Conjecture 1.2 ([5]). Suppose that the rational cuspidal curve $C$ of degree $d$ has critical points $z_{1},\dots,z_{n}$. Let $K_{1},\dots,K_{n}$ be the corresponding links of singular points and let $\Delta_{1},\dots,\Delta_{n}$ be their Alexander polynomials. Let $\Delta=\Delta_{1}\cdot\ldots\cdot\Delta_{n}$, expanded as $\Delta(t)=1+\frac{(d-1)(d-2)}{2}(t-1)+(t-1)^{2}\sum_{j=0}^{2g-2}k_{l}t^{l}.$ Then for any $j=0,\dots,d-3$, $k_{d(d-j-3)}\leq(j+1)(j+2)/2$, with equality for $n=1$. We remark that the case $n=1$ of the conjecture is Theorem 1.1. We will prove this result in Section 4.4. Later we will also prove an alternative generalization of Theorem 1.1 for the case $n>1$, stated as Theorem 5.4, which is the main result of the present article. The advantage of this formulation over the original conjecture lies in the fact that it gives precise values of the coefficients $k_{d(d-j-3)}$. Theorem 6.5 provides an equivalent statement of Theorem 5.4. ###### Acknowledgements. The authors are grateful to Matt Hedden, Jen Hom and András Némethi for fruitful discussions. The first author wants to thank Indiana University for hospitality. ## 2\. Background: Algebraic Geometry and Rational Cuspidal Curves In this section we will present some of the general theory of rational cuspidal curves. Section 2.1 includes basic information about singular points of plane curves. In Section 2.2 we discuss the semigroup of a singular point and its connections to the Alexander polynomial of the link. We shall use results from this section later in the article to simplify the equalities that we obtain. In Section 2.3 we describe results from [5] to give some flavor of the theory. In Section 2.4 we provide a rough sketch of some methods used to study rational cuspidal curves. We refer to [13] for an excellent and fairly up-to-date survey of results on rational cuspidal curves. ### 2.1. Singular points and algebraic curves For a general introduction and references to this subsection, we refer to [3, 7], or to [12, Section 10] for a more topological approach. In this article we will be considering algebraic curves embedded in $\mathbb{C}P^{2}$. Thus we will use the word _curve_ to refer to a zero set of an irreducible homogeneous polynomial $F$ of degree $d$. The _degree_ of the curve is the degree of the corresponding polynomial. Let $C$ be a curve. A point $z\in C$ is called _singular_ if the gradient of $F$ vanishes at $z$. Singular points of irreducible curves in $\mathbb{C}P^{2}$ are always isolated. Given a singular point and a sufficiently small ball $B\subset\mathbb{C}P^{2}$ around $z$, we call $K=C\cap\partial B$ the _link_ of the singular point. The singular point is called _cuspidal_ or _unibranched_ if $K$ is a knot, that is a link with one component, or equivalently, if there is an analytic map $\psi$ from a disk in $\mathbb{C}$ onto $C\cap B$. Unless specified otherwise, all singular points are assumed to be cuspidal. Two unibranched singular points are called _topologically equivalent_ if the links of these singular points are isotopic; see for instance [7, Definition I.3.30] for more details. A unibranched singular point is topologically equivalent to one for which the local parametrization $\psi$ is given in local coordinates $(x,y)$ on $B$ by $t\mapsto(x(t),y(t))$, where $x(t)=t^{p}$, $y(t)=t^{q_{1}}+\ldots+t^{q_{n}}$ for some positive integers $p,q_{1},\ldots,q_{n}$ satisfying $p<q_{1}<q_{2}<\ldots<q_{n}$. Furthermore, if we set $D_{i}=\gcd(p,q_{1},\ldots,q_{i})$, then $D_{i}$ does not divide $q_{i+1}$ and $D_{n}=1$. The sequence $(p;q_{1},\ldots,q_{n})$ is called the _characteristic sequence_ of the singular point and $p$ is called the _multiplicity_. Sometimes $n$ is referred to as the _number of Puiseux pairs_ , a notion which comes from an alternative way of encoding the sequence $(p;q_{1},\ldots,q_{n})$. We will say that a singular point is of type $(p;q_{1},\ldots,q_{n})$ if it has a presentation of this sort in local coefficients. The link of a singular point with a characteristic sequence $(p;q_{1},\ldots,q_{n})$ is an $(n-1)$–fold iterate of a torus knot $T(p^{\prime},q^{\prime})$, where $p^{\prime}=p/D_{1}$ and $q^{\prime}=q_{1}/D_{1}$; see for example [3, Sections 8.3 and 8.5] or [26, Chapter 5.2]. In particular, if $n=1$, the link is a torus knot $T(p,q_{1})$. In all cases, the genus of the link is equal to $\mu/2=\delta$, where $\mu$ is the Milnor number and $\delta$ is the so-called $\delta$–invariant of the singular point, see [7, page 205], or [12, Section 10]. The genus is also equal to half the degree of the Alexander polynomial of the link of the singular point. The Milnor number can be computed from the following formula, see [12, Remark 10.10]: $\mu=(p-1)(q_{1}-1)+\sum_{i=2}^{n}(D_{i}-1)(q_{i}-q_{i-1}).$ Suppose that $C$ is a degree $d$ curve with singular points $z_{1},\ldots,z_{n}$ (and $L_{1},\ldots,L_{n}$ are their links). The genus formula, due to Serre (see [12, Property 10.4]) states that the genus of $C$ is equal to $g(C)=\frac{1}{2}(d-1)(d-2)-\sum_{i=1}^{n}\delta_{i}.$ If all the critical points are cuspidal, we have $\delta_{i}=g(L_{i})$, so the above formula can be written as (2.1) $g(C)=\frac{1}{2}(d-1)(d-2)-\sum_{i=1}^{n}g(L_{i}).$ In particular, $C$ is rational cuspidal (that is, it is a homeomorphic image of a sphere) if and only $\sum g(L_{i})=\frac{1}{2}(d-1)(d-2)$. ### 2.2. Semigroup of a singular point The notion of the semigroup associated to a singular point is a central notion in the subject, although in the present work we use only the language of semigroups, not the algebraic aspects. We refer to [26, Chapter 4] or [7, page 214] for details and proofs. Suppose that $z$ is a cuspidal singular point of a curve $C$ and $B$ is a sufficiently small ball around $z$. Let $\psi(t)=(x(t),y(t))$ be a local parametrization of $C\cap B$ near $z$; see Section 2.1. For any polynomial $G(x,y)$ we look at the order at $0$ of an analytic map $t\mapsto G(x(t),y(t))\in\mathbb{C}$. Let $S$ be the set integers, which can be realized as the order for some $G$. Then $S$ is clearly a semigroup of $\mathbb{Z}_{\geq 0}$. We call it the _semigroup of the singular point_. The semigroup can be computed from the characteristic sequence, for example for a sequence $(p;q_{1})$, $S$ is generated by $p$ and $q_{1}$. The _gap sequence_ , $G:=\mathbb{Z}_{\geq 0}\setminus S$, has precisely $\mu/2$ elements and the largest one is $\mu-1$, where $\mu$ is the Milnor number. We now assume that $K$ is the link of the singular point $z$. Explicit computations of the Alexander polynomial of $K$ show that it is of the form (2.2) $\Delta_{K}(t)=\sum_{i=0}^{2m}(-1)^{i}t^{n_{i}},$ where $n_{i}$ form an increasing sequence with $n_{0}=0$ and $n_{2m}=2g$, twice the genus of $K$. Expanding $t^{n_{2i}}-t^{n_{2i-1}}$ as $(t-1)(t^{n_{2i}-1}+t^{n_{2i}-2}+\ldots+t^{n_{2i-1}})$ yields (2.3) $\Delta_{K}(t)=1+(t-1)\sum_{j=1}^{k}t^{g_{j}},$ for some finite sequence $0<g_{1}<\ldots<g_{k}$. We have the following result (see [26, Exercise 5.7.7]). ###### Lemma 2.4. The sequence $g_{1},\ldots,g_{k}$ is the gap sequence of the semigroup of the singular point. In particular $k=\\#G=\mu/2$, where $\mu$ is the Milnor number, so $\\#G$ is the genus. Writing $t^{g_{j}}$ as $(t-1)(t^{g_{j}-1}+t^{g_{j}-2}+\ldots+t+1)+1$ in (2.3) yields the following formula (2.5) $\Delta_{K}(t)=1+(t-1)g(K)+(t-1)^{2}\sum_{j=0}^{\mu-2}k_{j}t^{j},$ where $k_{j}=\\#\\{m>j\colon m\not\in S\\}$. We shall use the following definition. ###### Definition 2.6. For any finite increasing sequence of positive integers $G$, we define (2.7) $I_{G}(m)=\\#\\{k\in G\cup\mathbb{Z}_{<0}\colon k\geq m\\},$ where $\mathbb{Z}_{<0}$ is the set of the negative integers. We shall call $I_{G}$ the _gap function_ , because in most applications $G$ will be a gap sequence of some semigroup. ###### Remark 2.8. We point out that for $j=0,\ldots,\mu-2$, we have $I_{G}(j+1)=k_{j}$, where the $k_{j}$ are as in (2.5). ###### Example 2.9. Consider the knot $T(3,7)$. Its Alexander polynomial is $\displaystyle\frac{(t^{21}-1)(t-1)}{(t^{3}-1)(t^{7}-1)}=$ $\displaystyle\ 1-t+t^{3}-t^{4}+t^{6}-t^{8}+t^{9}-t^{11}+t^{12}$ $\displaystyle=$ $\displaystyle\ 1+(t-1)(t+t^{2}+t^{4}+t^{5}+t^{8}+t^{11})$ $\displaystyle=$ $\displaystyle\ 1+6(t-1)+$ $\displaystyle+(t-1)^{2}$ $\displaystyle\left(6+5t+4t^{2}+4t^{3}+3t^{4}+2t^{5}+2t^{6}+2t^{7}+t^{8}+t^{9}+t^{10}\right).$ The semigroup is $(0,3,6,7,9,10,12,13,14,\dots)$. The gap sequence is $1,2,4,5,8,11$. ###### Remark 2.10. The passage from (2.2) through (2.3) to (2.5) is just an algebraic manipulation, and thus it applies to any knot whose Alexander polynomial has form (2.2). In particular, according to [21, Theorem 1.2] it applies to any $L$–space knot. In this setting we will also call the sequence $g_{1},\dots,g_{k}$ the _gap sequence_ of the knot and denote it by $G_{K}$; we will write $I_{K}(m)$ for the gap function relative to $G_{K}$. Even though the complement $\mathbb{Z}_{\geq 0}\setminus G_{K}$ is not always a semigroup, we still have $\\#G_{K}=\frac{1}{2}\deg\Delta_{K}$. This property follows immediately from the symmetry of the Alexander polynomial. ### 2.3. Rational cuspidal curves with one cusp The classification of rational cuspidal curves is a challenging old problem, with some conjectures (like the Coolidge–Nagata conjecture [4, 14]) remaining open for many decades. The classification of curves with a unique critical point is far from being accomplished; the special case when the unique singular point has only one Puiseux term (its link is a torus knot) is complete [5], but even in this basic case, the proof is quite difficult. To give some indication of the situation, consider two families of rational cuspidal curves. The first one, written in projective coordinates on $\mathbb{C}P^{2}$ as $x^{d}+y^{d-1}z=0$ for $d>1$, the other one is $(zy-x^{2})^{d/2}-xy^{d-1}=0$ for $d$ even and $d>1$. These are of degree $d$. Both families have a unique singular point, in the first case it is of type $(d-1;d)$, in the second of type $(d/2;2d-1)$. In both cases, the Milnor number is $(d-1)(d-2)$, so the curves are rational. An explicit parametrization can be easily given as well. There also exist more complicated examples. For instance, Orevkov [18] constructed rational cuspidal curves of degree $\phi_{j}$ having a single singular point of type $(\phi_{j-2};\phi_{j+2})$, where $j$ is odd and $j>5$. Here the $\phi_{j}$ are the Fibonacci numbers, $\phi_{0}=0$, $\phi_{1}=1$, $\phi_{j+2}=\phi_{j+1}+\phi_{j}$. As an example, there exists a rational cuspidal curve of degree $13$ with a single singular point of type $(5;34)$. Orevkov’s construction is inductive and by no means trivial. Another family found by Orevkov are rational cuspidal curves of degree $\phi_{j-1}^{2}-1$ having a single singular point of type $(\phi_{j-2}^{2};\phi_{j}^{2})$, for $j>5$, odd. The main result of [5] is that apart of these four families of rational cuspidal curves, there are only two sporadic curves with a unique singular point having one Puiseux pair, one of degree $8$, the other of degree $16$. ### 2.4. Constraints on rational cuspidal curves. Here we review some constraints for rational cuspidal curves. We refer to [13] for more details and references. The article [5] shows how these constraints can be used in practice. The fundamental constraint is given by (2.1). Next, Matsuoka and Sakai [11] proved that if $(p_{1};q_{11},\ldots,q_{1k_{1}})$, …,$(p_{n};q_{n1},\ldots,q_{nk_{n}})$ are the only singular points occurring on a rational cuspidal curve of degree $d$ with $p_{1}\geq\ldots\geq p_{n}$, then $p_{1}>d/3$. Later, Orevkov [18] improved this to $\alpha(p_{1}+1)+1/\sqrt{5}>d$, where $\alpha=(3+\sqrt{5})/2\sim 2.61$ and showed that this inequality is asymptotically optimal (it is related to the curves described in Section 2.1). Both proofs use very deep algebro-geometric tools. We reprove the result of [11] in Proposition 6.7 below. Another obstruction comes from the semicontinuity of the spectrum, a concept that arises from Hodge Theory. Even a rough definition of the spectrum of a singular point is beyond the scope of this article. We refer to [1, Chapter 14] for a definition of the spectrum and to [5] for illustrations of its use. We point out that recently (see [2]) a tight relation has been drawn between the spectrum of a singular point and the Tristram–Levine signatures of its link. In general, semicontinuity of the spectrum is a very strong tool, but it is also very difficult to apply. Using tools from algebraic geometry, such as the Hodge Index Theorem, Tono in [25] proved that any rational cuspidal curve can have at most eight singular points. An old conjecture is that a rational cuspidal curve can have at most $4$ singular points; see [22] for a precise statement. In [6] a completely new approach was proposed, motivated by a conjecture on Seiberg–Witten invariants of links of surface singularities made by Némethi and Nicolaescu; see [16]. Specifically, Conjecture 1.2 in the present article arises from these considerations. Another reference for the general conjecture on Seiberg–Witten invariants is [15]. ## 3\. Topology, algebraic topology, and Spinc structures Let $C\subset\mathbb{C}P^{2}$ be a rational cuspidal curve. Let $d$ be its degree and $z_{1},\ldots,z_{n}$ be its singular points. We let $Y$ be a closed manifold regular neighborhood of $C$, let $M=\partial Y$, and $W=\overline{\mathbb{C}P^{2}-Y}$. ### 3.1. Topological descriptions of $Y$ and $M$ The neighborhood $Y$ of $C$ can be built in three steps. First, disk neighborhoods of the $z_{i}$ are selected. Then neighborhoods of $N-1$ embedded arcs on $C$ are adjoined, yielding a 4–ball. Finally, the remainder of $C$ is a disk, so its neighborhood forms a 2–handle attached to the 4–ball. Thus, $Y$ is a 4–ball with a 2–handle attached. The attaching curve is easily seen to be $K=\\#K_{i}$. Finally, since the self-intersection of $C$ is $d^{2}$, the framing of the attaching map is $d^{2}$. In particular, $M=S^{3}_{d^{2}}(K)$. One quickly computes that $H_{2}(\mathbb{C}P^{2},C)=\mathbb{Z}_{d}$, and $H_{4}(\mathbb{C}P^{2},C)=\mathbb{Z}$, with the remaining homology groups 0. Using excision, we see that the groups $H_{i}(W,M)$ are the same. Via Lefschetz duality and the universal coefficient theorem we find that $H_{0}(W)=\mathbb{Z}$, $H_{1}(W)=\mathbb{Z}_{d}$ and all the other groups are 0. Finally, the long exact sequence of the pair $(W,M)$ yields $0\to H_{2}(W,M)\to H_{1}(M)\to H_{1}(W)\to 0$ which in this case is $0\to\mathbb{Z}_{d}\to\mathbb{Z}_{d^{2}}\to\mathbb{Z}_{d}\to 0.$ This is realized geometrically by letting the generator of $H_{2}(W,M)$ be ${\it H}\cap W$, where $\it H\subset\mathbb{C}P^{2}$ is a generic line. Its boundary is algebraically $d$ copies of the meridian of the attaching curve $K$ in the 2–handle decomposition of $Y$. Taking duals we see that the map $H^{2}(W)\to H^{2}(M)$, which maps $\mathbb{Z}_{d}\to\mathbb{Z}_{d^{2}}$, takes the canonical generator to $d$ times the dual to the meridian in $M=S^{3}_{d^{2}}(K)$. ### 3.2. Spinc structures For any space $X$ there is a transitive action of $H^{2}(X)$ on Spinc($X$). Thus, $W$ has $d$ Spincstructures and $M$ has $d^{2}$ such structures. Since $\mathbb{C}P^{2}$ has a Spincstructure with first Chern class a dual to the class of the line, its restriction to $W$ is a structure whose restriction to $M$ has first Chern class equal to $d$ times the dual to the meridian. For a cohomology class $z\in H^{2}(X)$ and a Spincstructure ${{\mathfrak{s}}}$, one has $c_{1}(z\cdot{{\mathfrak{s}}})-c_{1}({{\mathfrak{s}}})=2z$. Thus for each $k\in\mathbb{Z}$, there is a Spincstructure on $M$ which extends to $W$ having first Chern class of the form $d+2kd$. Notice that for $d$ odd, all $md\in\mathbb{Z}_{d^{2}}$ for $m\in\mathbb{Z}$ occur as first Chern classes of Spincstructures that extend over $W$, but for $d$ even, only elements of the form $md$ with $m$ odd occur. (Thus, for $d$ even, there are $d$ extending structures, but only $d/2$ first Chern classes that occur.) According to [20, Section 3.4], the Spincstructures on $M$ have an enumeration ${{\mathfrak{s}}}_{m}$, for $m\in[-d^{2}/2,d^{2}/2]$, which can be defined via the manifold $Y$. Specifically, ${{\mathfrak{s}}}_{m}$ is defined to be the restriction to $M$ of the Spincstructure on $Y$, ${{\mathfrak{t}}}_{m}$, with the property that $\left<c_{1}({{\mathfrak{t}}}_{m}),C\right>+d^{2}=2m$. We point out that if $d$ is even, ${{\mathfrak{s}}}_{d^{2}/2}$ and ${{\mathfrak{s}}}_{-d^{2}/2}$ denote the same structure; compare Remark 4.5 below. It now follows from our previous observations that the structures ${{\mathfrak{s}}}_{m}$ that extend to $W$ are those with $m=kd$ for some integer $k$, $-d/2\leq k\leq d/2$ if $d$ is odd. If $d$ is even, then those that extend have $m=kd/2$ for some odd $k$, $-d\leq k\leq d$. For future reference, we summarize this with the following lemma. ###### Lemma 3.1. If $W^{4}=\overline{\mathbb{C}P^{2}-Y}$ where $Y$ is a neighborhood of a rational cuspidal curve $C$ of degree $d$ (as constructed above), then the Spincstructure ${{\mathfrak{s}}}_{m}$ on $\partial W^{4}$ extends to $W^{4}$ if $m=kd$ for some integer $k$, $-d/2\leq k\leq d/2$ if $d$ is odd. If $d$ is even, then those that extend have $m=kd/2$ for some odd $k$, $-d\leq k\leq d$. Here ${{\mathfrak{s}}}_{m}$ is the Spincstructure on $\partial W$ which extends to a structure ${{\mathfrak{t}}}$ on $Y$ satisfying $\left<c_{1}({{\mathfrak{t}}}_{m}),C\right>+d^{2}=2m$. ## 4\. Heegaard Floer theory Heegaard Floer theory [19] associates to a 3–manifold $M$ with Spincstructure ${{\mathfrak{s}}}$, a filtered, graded chain complex $CF^{\infty}(M,{{\mathfrak{s}}})$ over the field $\mathbb{Z}_{2}$. A fundamental invariant of the pair $(M,{{\mathfrak{s}}})$, the correction term or $d$–invariant, $d(M,{{\mathfrak{s}}})\in\mathbb{Q}$, is determined by $CF^{\infty}(M,{{\mathfrak{s}}})$. The manifold $M$ is called an $L$–space if certain associated homology groups are of rank one [21]. A knot $K$ in $M$ provides a second filtration on $CF^{\infty}(M,{{\mathfrak{s}}})$ [19]. In particular, for $K\subset S^{3}$ there is a bifiltered graded chain complex $\operatorname{\it CFK}^{\infty}(K)$ over the field $\mathbb{Z}_{2}$. It is known that for algebraic knots the complex is determined by the Alexander polynomial of $K$. More generally, this holds for any knot upon which some surgery yields an $L$–space; these knots are called $L$–space knots. The Heegaard Floer invariants of surgery on $K$, in particular the $d$–invariants of $S^{3}_{q}(K)$, are determined by this complex, and for $q>2(\textrm{genus}(K))$ the computation of $d(S^{3}_{q}(K),{{\mathfrak{s}}})$ from $CFK^{\infty}(K)$ is particularly simple. In this section we will illustrate the general theory, leaving the details to references such as [9, 10]. ### 4.1. $\operatorname{\it CFK}^{\infty}(K)$ for $K$ an algebraic knot Figure 1 is a schematic illustration of a finite complex over $\mathbb{Z}_{2}$. Each dot represents a generator and the arrows indicate boundary maps. Abstractly it is of the form $0\to\mathbb{Z}_{2}^{4}\to\mathbb{Z}_{2}^{5}\to 0$ with homology $\mathbb{Z}_{2}$. The complex is bifiltered with the horizontal and vertical coordinates representing the filtrations levels of the generators. We will refer to the two filtrations levels as the $(i,j)$–filtrations levels. The complex has an absolute grading which is not indicated in the diagram; the generator at filtration level $(0,6)$ has grading 0 and the boundary map lowers the grading by 1. Thus, there are five generators at grading level 0 and four at grading level one. We call the first set of generators type A and the second type B. We will refer to a complex such as this as a staircase complex of length $n$, $\operatorname{St}(v)$, where $v$ is a $(n-1)$–tuple of positive integers designating the length of the segments starting at the top left and moving to the bottom right in alternating right and downward steps. Furthermore we require that the top left vertex lies on the vertical axis and the bottom right vertex lies on the horizontal axis. Thus, the illustration is of $\operatorname{St}(1,2,1,2,2,1,2,1)$. The absolute grading of $\operatorname{St}(v)$ is defined by setting the grading of the top left generator to be equal to $0$ and the boundary map to lower the grading by $1$. The vertices of $\operatorname{St}(K)$ will be denoted $\operatorname{Vert}(St(K))$. We shall write $\operatorname{Vert}_{A}(\operatorname{St}(K))$ to denote the set of type A vertices and write $\operatorname{Vert}_{B}(\operatorname{St}(K))$ for the set of vertices of type B. If $K$ is a knot admitting an $L$–space surgery, in particular an algebraic knot (see [8]), then it has Alexander polynomial of the form $\Delta_{K}(t)=\sum_{i=0}^{2m}(-1)t^{n_{i}}$. To such a knot we associate a staircase complex, $\operatorname{St}(K)=\operatorname{St}(n_{i+1}-n_{i})$, where $i$ runs from 0 to $2m-1$. As an example, the torus knot $T(3,7)$ has Alexander polynomial $1-t+t^{3}-t^{4}+t^{6}-t^{8}+t^{9}-t^{11}+t^{12}$. The corresponding staircase complex is $\operatorname{St}(1,2,1,2,2,1,2,1)$. 0.6[subgriddiv=1,gridcolor=gray](-1,-1)(-1,-1)(7,7) Figure 1. The staircase complex $\operatorname{St}(K)$ for the torus knot $T(3,7)$. Given any finitely generated bifiltered complex $S$, one can form a larger complex $S\otimes\mathbb{Z}_{2}[U,U^{-1}]$, with differentials defined by $\partial(x\otimes U^{i})=(\partial x)\otimes U^{i}$. It is graded by $gr(x\otimes U^{k})=gr(x)-2k$. Similarly, if $x$ is at filtration level $(i,j)$, then $x\otimes U^{i}$ is at filtration level $(i-k,j-k)$. If $K$ admits an $L$–space surgery, then $\operatorname{St}(K)\otimes\mathbb{Z}_{2}[U,U^{-1}]$ is isomorphic to $\operatorname{\it CFK}^{\infty}(K)$. Figure 2 illustrates a portion of $\operatorname{St}(T(3,7))\otimes\mathbb{Z}_{2}[U,U^{-1}]$; that is, a portion of the Heegaard Floer complex $\operatorname{\it CFK}^{\infty}(T(3,7))$. 0.6[subgriddiv=1,gridcolor=gray](-1,-1)(-1,-1)(7,7) Figure 2. A portion of $\operatorname{\it CFK}^{\infty}(T(3,7))$. ### 4.2. $d$–invariants from $\operatorname{\it CFK}^{\infty}(K)$. We will not present the general definition of the $d$–invariant of a 3–manifold with Spincstructure; details can be found in [19]. However, in the case that a 3–manifold is of the form $S^{3}_{q}(K)$ where $q\geq 2($genus($K$)), there is a simple algorithm (originating from [20, Section 4], we use the approach of [9, 10]) to determine this invariant from $\operatorname{\it CFK}^{\infty}(K)$. If $m$ satisfies $-d/2\leq m\leq d/2$, one can form the quotient complex $\operatorname{\it CFK}^{\infty}(K)/\operatorname{\it CFK}^{\infty}(K)\\{i<0,j<m\\}.$ We let $d_{m}$ denote the least grading in which this complex has a nontrivial homology class, say $[z]$, where $[z]$ must satisfy the added constraint that for all $i>0$, $[z]=U^{i}[z_{i}]$ for some homology class $[z_{i}]$ of grading $d_{m}+2i$. In [20, Theorem 4.4], we find the following result. ###### Theorem 4.1. For the Spincstructure ${{\mathfrak{s}}}_{m}$, $d(S^{3}_{q}(K),{{\mathfrak{s}}}_{m})=d_{m}+\frac{(-2m+q)^{2}-q}{4q}$. ### 4.3. From staircase complexes to the $d$–invariants Let us now define a distance function for a staircase complex by the formula $J_{K}(m)=\min_{(v_{1},v_{2})\in\operatorname{Vert}(\operatorname{St}(K))}\max(v_{1},v_{2}-m),$ where $v_{1},v_{2}$ are coordinates of the vertex $v$. Observe that the minimum can always be taken with respect to the set of vertices of type A. The function $J_{K}(m)$ represents the greatest $r$ such that the region $\\{i\leq 0,j\leq m\\}$ intersects $\operatorname{St}(K)\otimes U^{r}$ nontrivially. It is immediately clear that $J_{K}(m)$ is a non-increasing function. It is also immediate that for $m\geq g$ we have $J_{K}(m)=0$. 0.6[subgriddiv=1,gridcolor=gray](0,0)(-7,-7)(7,7) Figure 3. The function $J(m)$ for the knot $T(3,7)$. When $(0,m)$ lies on the dashed vertical intervals, the function $J(m)$ is constant; when it is on solid vertical intervals the function $J(m)$ is decreasing. The dashed lines connecting vertices to points on the vertical axis indicate how the ends of dashed and solid intervals are constructed. For the sake of the next lemma we define $n_{-1}=-\infty$. ###### Lemma 4.2. Suppose $m\leq g$. We have $J_{K}(m+1)-J_{K}(m)=-1$ if $n_{2i-1}-g\leq m<n_{2i}-g$ for some $i$, and $J_{K}(m+1)=J_{K}(m)$ otherwise. ###### Proof. The proof is purely combinatorial. We order the type A vertices of $\operatorname{St}(K)$ so that the first coordinate is increasing, and we denote these vertices $v_{0},\ldots,v_{k}$. For example, for $\operatorname{St}(T(3,7))$ as depicted on Figure 1, we have $v_{0}=(0,6)$, $v_{1}=(1,4)$, $v_{2}=(2,2)$, $v_{3}=(4,1)$ and $v_{4}=(6,0)$. We denote by $(v_{i1},v_{i2})$ the coordinates of the vertex $v_{i}$. A verification of the two following facts is straightforward: (4.3) $\begin{split}\max(v_{i1},v_{i2}-m)&=v_{i1}\textrm{ if and only if $m\geq v_{i1}-v_{i2}$}\\\ \max(v_{i1},v_{i2}-m)&\geq\max(v_{i-1,1},v_{i-1,2}-m)\textrm{ if and only if $m\leq v_{i1}-v_{i-1,2}$}.\end{split}$ By the definition of the staircase complex we also have $v_{i1}-v_{i2}=n_{2i}-g$ and $v_{i1}-v_{i-1,2}=n_{2i-1}-g$. The second equation of (4.3) yields $J_{K}(m)=\max(v_{i1},v_{i2}-m)\text{ if and only if }m\in[n_{2i-1},n_{2i+1}].$ Then the first equation of (4.3) allows to compute the difference $J_{K}(m+1)-J_{K}(m)$. ∎ The relationship between $J_{K}$ and the $d$–invariant is given by the next result. ###### Proposition 4.4. Let $K$ be an algebraic knot, let $q>2g(K)$, and let $m\in[-q/2,q/2]$ be an integer. Then $d(S^{3}_{q}(K),\mathfrak{s}_{m})=\frac{(-2m+q)^{2}-q}{4q}-2J(m).$ ###### Proof. Denote by $S_{i}$ the subcomplex $\operatorname{St}(K)\otimes U^{i}$ in $\operatorname{\it CFK}^{\infty}(K)$. The result depends on understanding the homology of the image of $S_{i}$ in $\operatorname{\it CFK}^{\infty}(K)/\operatorname{\it CFK}^{\infty}(K)\\{i<0,j<m\\}$. Because of the added constraint (see the paragraph before Theorem 4.1), we only have to look at the homology classes supported on images of the type A vertices. Notice that if $i>J_{K}(m)$, then at least one of the type A vertices is in $\operatorname{\it CFK}^{\infty}(K)\\{i<0,j<m\\}$. But all the type A vertices are homologous in $S_{i}$, and since these generate $H_{0}(S_{i})$, the homology of the image in the quotient is 0. On the other hand, if $i\leq J_{K}(m)$, then none of the vertices of $S_{i}$ are in $\operatorname{\it CFK}^{\infty}(K)\\{i<0,j<m\\}$ and thus the homology of $S_{i}$ survives in the quotient. It follows that the least grading of a nontrivial class in the quotient arises from the $U^{J_{K}(m)}$ translate of one of type A vertices of $S_{0}=\operatorname{St}(K)$. Since $U$ lowers grading by 2, the grading is $-2J_{K}(m)$. The result follows by applying the shift described in Theorem 4.1. ∎ ###### Remark 4.5. Notice that in the case that $q$ is even, the integer values $m=-q/2$ and $m=q/2$ are both in the given interval. One easily checks that Proposition 4.4 yields the same value at these two endpoints. We now relate the $J$ function to the semigroup of the singular point. Let $I_{K}$ be the gap function as in Definition 2.6 and Remark 2.10. ###### Proposition 4.6. If $K$ is the link of an algebraic singular point, then for $-g\leq m\leq g$ $J_{K}(m)=I_{K}(m+g)$. ###### Proof. In Section 2.2 we described the gap sequence in terms of the exponents $n_{i}$. It follows immediately that the growth properties of $I_{K}(m+g)$ are identical to those of $J_{K}(m)$, as described in Lemma 4.2. Furthermore, since the largest element in the gap sequence is $2g-1$, we have $I_{K}(2g)=J_{K}(g)=0$. ∎ ### 4.4. Proof of Theorem 1.1 According to Lemma 3.1, the Spincstructures on $S^{3}_{d^{2}}(K)$ that extend to the complement $W$ of a neighborhood of $C$ are precisely those ${{\mathfrak{s}}}_{m}$ where $m=kd$ for some $k$, where $-d/2\leq k\leq d/2$; here $k\in\mathbb{Z}$ if $d$ odd, and $k\in\mathbb{Z}+\frac{1}{2}$ if $d$ is even. Since $W$ is a rational homology sphere, by [19, Proposition 9.9] the associated $d$–invariants are 0, so by Proposition 4.4, letting $q=d^{2}$ and $m=kd$, we have $2J_{K}(kd)=\frac{(-2kd+d^{2})^{2}-d^{2}}{4d^{2}}.$ By Proposition 4.6 we can replace this with $8I_{G_{K}}(kd+g)=(d-2k-1)(d-2k+1).$ Now $g=d(\frac{d-3}{2})+1$, so by substituting $j=k+\frac{d-3}{2}$ we obtain $8I_{K}(jd+1)=4(d-j+1)(d-j+2)$ and $j\in[-3/2,\ldots,d-3/2]$ is an integer regardless of the parity of $d$. The proof is accomplished by recalling that $k_{jd}=I_{K}(jd+1)$, see Remark 2.8. ## 5\. Constraints on general rational cuspidal curves ### 5.1. Products of staircase complexes and the $d$–invariants In the case that there is more than one cusp, the previous approach continues to apply, except the knot $K$ is now a connected sum of algebraic knots. For the connected sum $K=\\#K_{i}$, the complex $\operatorname{\it CFK}^{\infty}(K)$ is the tensor product of the $\operatorname{\it CFK}^{\infty}(K_{i})$. To analyze this, we consider the tensor product of the staircase complexes $\operatorname{St}(K_{i})$. Although this is not a staircase complex, the homology is still $\mathbb{Z}_{2}$, supported at grading level 0. For the tensor product we shall denote by $\operatorname{Vert}(\operatorname{St}(K_{1})\otimes\ldots\otimes\operatorname{St}(K_{n}))$ the set of vertices of the corresponding complex. These are of the form $v_{1}+\ldots+v_{n}$, where $v_{j}\in\operatorname{Vert}(K_{j})$, $j=1,\ldots,n$. Any element of the form $a_{1q_{1}}\otimes a_{2q_{2}}\otimes\cdots\otimes a_{nq_{n}}$ represents a generator of the homology of the tensor product, where the $a_{iq_{i}}$ are vertices of type A taken from each $\operatorname{St}(K_{i})$. Furthermore, if the translated subcomplex $\text{St}(K)\otimes U^{i}\subset\text{St}(K)\otimes\mathbb{Z}_{2}[U,U^{-1}]$ intersects $\operatorname{\it CFK}^{\infty}(K)\\{i<0,j<m\\}$ nontrivially, then the intersection contains one of these generators. Thus, the previous argument applies to prove the following. ###### Proposition 5.1. Let $q>2g-1$, where $g=g(K)$ and $m\in[-q/2,q/2]$. Then we have $d(S^{3}_{q}(K),\mathfrak{s}_{m})=-2J_{K}(m)+\frac{(-2m+q)^{2}-q}{4q},$ where $J_{K}(m)$ is the minimum of $\max(\alpha,\beta-m)$ over all elements of form $a_{1q_{1}}\otimes a_{2q_{2}}\otimes\ldots\otimes a_{nq_{n}}$, where $(\alpha,\beta)$, is the filtration level of the corresponding element. Since the $d$–invariants vanish for all Spincstructures that extend to $W$, we have: ###### Theorem 5.2. If $C$ is a rational cuspidal curve of degree $d$ with singular points $K_{i}$ and $K=\\#K_{i}$, then for all $k$ in the range $[-d/2,d/2]$, with $k\in\mathbb{Z}$ for $d$ odd and $k\in\mathbb{Z}+\frac{1}{2}$ for $d$ even: $J_{K}(kd)=\frac{(d-2k-1)(d-2k+1)}{8}.$ ###### Proof. We have from the vanishing of the $d$–invariants, $d(S^{3}_{d^{2}}(K),{{\mathfrak{s}}}_{m})$ (for $m=kd$) the condition $J_{K}(m)=\frac{(-2m+d^{2})^{2}-d^{2}}{8d^{2}}.$ The result then follows by substituting $m=kd$ and performing algebraic simplifications. ∎ ### 5.2. Restatement in terms of $I_{K_{i}}(m)$. We now wish to restate Theorem 5.2 in terms of the coefficients of the Alexander polynomial, properly expanded. As before, for the gap sequence for the knot $K_{i}$, denoted $G_{K_{i}}$, let $I_{i}(s)=\\#\\{k\geq s\colon k\in G_{K_{i}}\cup\mathbb{Z}_{<0}\\}.$ For two functions $I,I^{\prime}\colon\mathbb{Z}\to\mathbb{Z}$ bounded below we define the following operation (5.3) $I\diamond I^{\prime}(s)=\min_{m\in\mathbb{Z}}I(m)+I^{\prime}(s-m).$ As pointed out to us by Krzysztof Oleszkiewicz, in real analysis this operation is sometimes called the _infimum convolution_. The following is the main result of this article. ###### Theorem 5.4. Let $C$ be a rational cuspidal curve of degree $d$. Let $I_{1},\dots,I_{n}$ be the gap functions associated to each singular point on $C$. Then for any $j\in\\{-1,0,\ldots,d-2\\}$ we have $I_{1}\diamond I_{2}\diamond\ldots\diamond I_{n}(jd+1)=\frac{(j-d+1)(j-d+2)}{2}.$ ###### Remark 5.5. * • For $j=-1$, the left hand side is $d(d-1)/2=d-1+(d-1)(d-2)/2$. The meaning of the equality is that $\sum\\#G_{j}=(d-1)(d-2)/2$ which follows from (2.1) and Lemma 2.4. Thus, the case $j=-1$ does not provide any new constraints. Likewise, for $j=d-2$ both sides are equal to $0$. * • We refer to Section 6.2 for a reformulation of Theorem 5.4. * • We do not know if Theorem 5.4 settles Conjecture 1.2 for $n>1$. The passage between the two formulations appears to be more complicated; see [17, Proposition 7.1.3] and the example in Section 6.1. Theorem 5.4 is an immediate consequence of the arguments in Section 4.4 together with the following proposition. ###### Proposition 5.6. As in (5.3), let $I_{K}$ be given by $I_{1}\diamond\ldots\diamond I_{n}$, for the gap functions $I_{1},\ldots,I_{n}$. Then $J_{K}(m)=I_{K}(m+g)$. ###### Proof. The proof follows by induction over $n$. For $n=1$, the statement is equivalent to Proposition 4.6. Suppose we have proved it for $n-1$. Let $K^{\prime}=K_{1}\\#\ldots\\#K_{n-1}$ and let $J_{K^{\prime}}(m)$ be the corresponding $J$ function. Let us consider a vertex $v\in\operatorname{Vert}(\operatorname{St}_{1}(K)\otimes\ldots\otimes\operatorname{St}_{n}(K))$. We can write this as $v^{\prime}+v_{n}$, where $v^{\prime}\in\operatorname{Vert}(\operatorname{St}(K_{1})\otimes\cdots\otimes\operatorname{St}(K_{n-1}))$ and $v_{n}\in\operatorname{Vert}(\operatorname{St}(K_{n}))$. We write the coordinates of the vertices as $(v_{1},v_{2})$, $(v^{\prime}_{1},v^{\prime}_{2})$ and $(v_{n1},v_{n2})$, respectively. We have $v_{1}=v^{\prime}_{1}+v_{n1}$, $v_{2}=v^{\prime}_{2}+v_{n2}$. We shall need the following lemma. ###### Lemma 5.7. For any four integers $x,y,z,w$ we have $\max(x+y,z+w)=\min_{k\in\mathbb{Z}}\left(\max(x,z-k)+\max(y,w+k)\right).$ ###### Proof of Lemma 5.7. The direction ‘$\leq$’ is trivial. The equality is attained at $k=z-x$. ∎ _Continuation of the proof of Proposition 5.6._ Applying Lemma 5.7 to $v_{1}^{\prime},v_{2}^{\prime},v_{n1},v_{n2}-m$ and taking the minimum over all vertices $v$ we obtain $J_{K}(m)=\min_{v\in\operatorname{Vert}(\operatorname{St}(K_{1})\otimes\ldots\otimes\operatorname{St}(K_{n}))}\max(v_{1},v_{2}-m)=\\\ \min_{v^{\prime}\in\operatorname{Vert}^{\prime}}\min_{v_{n}\in\operatorname{Vert}_{n}}\min_{k\in\mathbb{Z}}\left(\max(v^{\prime}_{1},v_{2}^{\prime}-k)+\max(v_{n1},v_{n2}+k-m)\right),$ where we denote $\operatorname{Vert}^{\prime}=\operatorname{Vert}(\operatorname{St}(K_{1})\otimes\cdots\otimes\operatorname{St}(K_{n-1}))$ and $\operatorname{Vert}_{n}=\operatorname{Vert}(\operatorname{St}(K_{n}))$. The last expression is clearly $\min_{k\in\mathbb{Z}}J_{K^{\prime}}(k)+J_{K_{n}}(m-k)$. By the induction assumption this is equal to $\min_{k\in\mathbb{Z}}I_{K^{\prime}}(k+g^{\prime})+I_{K_{n}}(m-k+g_{n})=I_{K}(m+g),$ where $g^{\prime}=g(K^{\prime})$ and $g_{n}=g(K_{n})$ are the genera, and we use the fact that $g=g^{\prime}+g_{n}$. ∎ ## 6\. Examples and applications ### 6.1. A certain curve of degree $6$ As described, for instance, in [5, Section 2.3, Table 1], there exists an algebraic curve of degree $6$ with two singular points, the links of which are $K=T(4,5)$ and $K^{\prime}=T(2,9)$. The values of $I_{K}(m)$ for $m\in\\{0,\ldots,11\\}$ are $\\{6,6,5,4,3,3,3,2,1,1,1,1\\}$. The values of $I_{K^{\prime}}(m)$ for $m\in\\{0,\ldots,7\\}$ are $\\{4,4,3,3,2,2,1,1\\}$. We readily get $I\diamond I^{\prime}(1)=10,\ I\diamond I^{\prime}(7)=6,\ I\diamond I^{\prime}(13)=3,\ I\diamond I^{\prime}(19)=1,$ exactly as predicted by Theorem 5.4. On the other hand, the computations in [5] confirm Conjecture 1.2 but we sometimes have an inequality. For example $k_{6}=5$, whereas Conjecture 1.2 states $k_{6}\leq 6$. This shows that Theorem 5.4 is indeed more precise. ### 6.2. Reformulations of Theorem 5.4 Theorem 5.4 was formulated in a way that fits best with its theoretical underpinnings. In some applications, it is advantageous to reformulate the result in terms of the function counting semigroup elements in the interval $[0,k]$. To this end, we introduce some notation. Recall that for a semigroup $S\subset\mathbb{Z}_{\geq 0}$, the gap sequence of $G$ is $\mathbb{Z}_{\geq 0}\setminus S$. We put $g=\\#G$ and for $m\geq 0$ we define (6.1) $R(m)=\\#\\{j\in S\colon j\in[0,m)\\}.$ ###### Lemma 6.2. For $m\geq 0$, $R(m)$ is related to the gap function $I(m)$ (see (2.7)) by the following relation: (6.3) $R(m)=m-g+I(m).$ ###### Proof. Let us consider an auxiliary function $K(m)=\\#\\{j\in[0,m):j\in G\\}$. Then $K(m)=g-I(m)$. Now $R(m)+K(m)=m$, which completes the proof. ∎ We extend $R(m)$ by (6.3) for all $m\in\mathbb{Z}$. We remark that $R(m)=m-g$ for $m>\sup G$ and $R(m)=0$ for $m<0$. In particular, $R$ is a non-negative, non-decreasing function. We have the following result. ###### Lemma 6.4. Let $I_{1},\dots,I_{n}$ be the gap functions corresponding to the semigroups $S_{1},\ldots,S_{n}$. Let $g_{1},\dots,g_{n}$ be given by $g_{j}=\\#{\mathbb{Z}_{\geq 0}\setminus S_{j}}$. Let $R_{1},\ldots,R_{n}$ be as in (6.1). Then $R_{1}\diamond R_{2}\diamond\ldots\diamond R_{n}(m)=m-g+I_{1}\diamond\ldots\diamond I_{n}(m),$ where $g=g_{1}+\ldots+g_{n}$. ###### Proof. To simplify the notation, we assume that $n=2$; the general case follows by induction. We have $\displaystyle R_{1}\diamond R_{2}(m)=$ $\displaystyle\min_{k\in\mathbb{Z}}R_{1}(k)+R_{2}(m-k)=$ $\displaystyle=\min_{k\in\mathbb{Z}}(k-g_{1}+I_{1}(k)+m-k-g_{2}+I_{2}(m-k))=$ $\displaystyle=m-g_{1}-g_{2}+I_{1}\diamond I_{2}(m).$ ∎ Now we can reformulate Theorem 5.4: ###### Theorem 6.5. For any rational cuspidal curve of degree $d$ with singular points $z_{1},\dots,z_{n}$, and for $R_{1},\dots,R_{n}$ the functions as defined in (6.1), one has that for any $j=\\{-1,\ldots,d-2\\}$, $R_{1}\diamond R_{2}\diamond\ldots\diamond R_{n}(jd+1)=\frac{(j+1)(j+2)}{2}.$ This formulation follows from Theorem 5.4 by an easy algebraic manipulation together with the observation that by (2.1) and Lemma 2.4, the quantity $g$ from Lemma 6.4 is given by $\frac{(d-1)(d-2)}{2}$. The formula bears strong resemblance to [5, Proposition 2], but in that article only the ‘$\geq$’ part is proved and an equality in case $n=1$ is conjectured. ###### Remark 6.6. Observe that by definition $R_{1}\diamond\ldots\diamond R_{n}(k)=\min_{\begin{subarray}{c}k_{1},\ldots,k_{n}\in\mathbb{Z}\\\ k_{1}+\ldots+k_{n}=k\end{subarray}}R_{1}(k_{1})+\ldots+R_{n}(k_{n}).$ Since for negative values $R_{j}(k)=0$ and $R_{j}$ is non-decreasing on $[0,\infty)$, the minimum will always be achieved for $k_{1},\ldots,k_{n}\geq-1$. ### 6.3. Applications From Theorem 6.5 we can deduce many general estimates for rational cuspidal curves. Throughout this subsection we shall be assuming that $C$ has degree $d$, its singular points are $z_{1},\ldots,z_{n}$, the semigroups are $S_{1},\ldots,S_{n}$, and the corresponding $R$–functions are $R_{1},\ldots,R_{n}$. Moreover, we assume that the characteristic sequence of the singular point $z_{i}$ is $(p_{i};q_{i1},\ldots,q_{ik_{i}})$. We order the singular points so that that $p_{1}\geq p_{2}\geq\ldots\geq p_{n}$. We can immediately prove the result of Matsuoka–Sakai, [11], following the ideas in [5, Section 3.5.1]. ###### Proposition 6.7. We have $p_{1}>d/3$. ###### Proof. Suppose $3p_{1}\leq d$. It follows that for any $j$, $3p_{j}\leq d$. Let us choose $k_{1},\ldots,k_{n}\geq-1$ such that $\sum k_{j}=d+1$. For any $j$, the elements $0,p_{j},2p_{j},\ldots$ all belong to the $S_{j}$. The function $R_{j}(k_{j})$ counts elements in $S_{j}$ strictly smaller than $k_{j}$, hence for any $\varepsilon>0$ we have $R_{j}(k_{j})\geq 1+\genfrac{\lfloor}{\rfloor}{}{1}{k_{j}-\varepsilon}{p_{j}}.$ Using $3p_{j}\leq d$ we rewrite this as $R_{j}(k_{j})\geq 1+\genfrac{\lfloor}{\rfloor}{}{1}{3k_{j}-3\varepsilon}{d}$. Since $\varepsilon>0$ is arbitrary, setting $\delta_{j}=1$ if $d|3k_{j}$, and $0$ otherwise, we write $R_{j}(k_{j})\geq 1+\genfrac{\lfloor}{\rfloor}{}{1}{3k_{j}}{d}-\delta_{j}.$ We get (6.8) $\sum_{j\colon d|3k_{j}}R_{j}(k_{j})\geq\genfrac{\lfloor}{\rfloor}{}{1}{\sum 3k_{j}}{d}.$ Using the fact that $\genfrac{\lfloor}{\rfloor}{}{1}{a}{d}+\genfrac{\lfloor}{\rfloor}{}{1}{b}{d}\geq\genfrac{\lfloor}{\rfloor}{}{1}{a+b}{d}-1$ for any $a,b\in\mathbb{Z}$, we estimate the other terms: (6.9) $\sum_{j\colon d\not\;|\,3k_{j}}R_{j}(k_{j})\geq 1+\genfrac{\lfloor}{\rfloor}{}{1}{3\sum k_{j}}{d}.$ Since $\sum k_{j}=d+1$, there must be at least one $j$ for which $d$ does not divide $3k_{j}$. Hence adding (6.8) to (6.9) we obtain $R_{1}(k_{1})+\ldots+R_{n}(k_{n})\geq 1+\genfrac{\lfloor}{\rfloor}{}{1}{\sum_{j=1}^{n}3k_{j}}{d}=1+\genfrac{\lfloor}{\rfloor}{}{1}{3d+3}{d}=4.$ This contradicts Theorem 6.5 for $j=1$, and the contradiction concludes the proof. ∎ We also have the following simple result. ###### Proposition 6.10. Suppose that $p_{1}>\frac{d+n-1}{2}$. Then $q_{11}<d+n-1$. ###### Proof. Suppose that $p_{1}>\frac{d+n-1}{2}$ and $q_{11}>d+n-1$. It follows that $R_{1}(d+n)=2$. But then we choose $k_{1}=d+n$, $k_{2}=\ldots=k_{n}=-1$ and we get $\sum_{j=1}^{n}R_{j}(k_{j})=2$, hence $R_{1}\diamond R_{2}\diamond\ldots\diamond R_{n}(d+1)\leq 2$ contradicting Theorem 6.5. ∎ ### 6.4. Some examples and statistics We will now present some examples and statistics, where we compare our new criterion with the semicontinuity of the spectrum as used in [5, Property $(SS_{l})$] and the Orevkov criterion [18, Corollary 2.2]. It will turn out that the semigroup distribution property is quite strong and closely related to the semicontinuity of the spectrum, but they are not the same. There are cases which pass one criterion and fail to another. Checking the semigroup property is definitely a much faster task than comparing spectra; refer to [6, Section 3.6] for more examples. ###### Example 6.11. Among the 1,920,593 cuspidal singular points with Milnor number of the form $(d-1)(d-2)$ for $d$ ranging between $8$ and $64$, there are only 481 that pass the semigroup distribution criterion, that is Theorem 1.1. All of these pass the Orevkov criterion $\overline{M}<3d-4$. Of those 481, we compute that 475 satisfy the semicontinuity of the spectrum condition and 6 them fail the condition; these are: $(8;28,45)$, $(12;18,49)$, $(16;56,76,85)$, $(24;36,78,91)$, $(24;84,112,125)$, $(36;54,114,133)$. ###### Remark 6.12. The computations in Example 6.11 were made on a PC computer during one afternoon. Applying the spectrum criteria for all these cases would take much longer. The computations for degrees between $12$ and $30$ is approximately $15$ times faster for semigroups; the difference seems to grow with the degree. The reason is that even though the spectrum can be given explicitly from the characteristic sequence (see [24]), it is a set of fractional numbers and the algorithm is complicated. ###### Example 6.13. There are $28$ cuspidal singular points with Milnor number equal to $110=(12-1)(12-2)$. We ask, which of these singular points can possibly occur as a unique singular point on a degree $12$ rational curve? We apply the semigroup distribution criterion. Only 8 singular points pass the criterion, as is seen on Table 1. (3;56) | fails at $j=1$ | (6;9,44) | fails at $j=1$ | (8;12,14,41) | fails at $j=3$ ---|---|---|---|---|--- (4;6,101) | fails at $j=1$ | (6;10,75) | fails at $j=1$ | (8;12,18,33) | fails at $j=4$ (4;10,93) | fails at $j=1$ | (6;14,59) | fails at $j=2$ | (8;12,22,25) | passes (4;14,85) | fails at $j=1$ | (6;15,35) | fails at $j=2$ | (8;12,23) | passes (4;18,77) | fails at $j=1$ | (6;16,51) | fails at $j=2$ | (8;14,33) | fails at $j=1$ (4;22,69) | fails at $j=1$ | (6;20,35) | fails at $j=4$ | (9;12,23) | passes (4;26,61) | fails at $j=1$ | (6;21,26) | passes | (10;12,23) | passes (4;30,53) | fails at $j=1$ | (6;22,27) | passes | (11;12) | passes (4;34,45) | fails at $j=1$ | (6;23) | passes | | (6;8,83) | fails at $j=1$ | (8;10,57) | fails at $j=2$ | | Table 1. Semigroup property for cuspidal singular points with Milnor number $12$. If a cuspidal singular point fails the semigroup criterion, we indicate the first $j$ for which $I(12j+1)\neq\frac{(j-d+1)(j-d+2)}{2}$. Among the curves in Table 1, all those that are obstructed by the semigroup distribution, are also obstructed by the semicontinuity of the spectrum. The spectrum also obstructs the case of $(8;12,23)$. ###### Example 6.14. There are 2330 pairs $(a,b)$ of coprime integers, such that $(a-1)(b-1)$ is of form $(d-1)(d-2)$ for $d=5,\ldots,200$. Again we ask if there exists a degree $d$ rational cuspidal curve having a single singular point with characteristic sequence $(a;b)$. Among these 2330 cases, precisely 302 satisfy the semigroup distribution property. Out of these 302 cases, only one, namely $(2;13)$, does not appear on the list from [5]; see Section 2.3 for the list. It is therefore very likely that the semigroup distribution property alone is strong enough to obtain the classification of [5]. ###### Example 6.15. In Table 2 we present all the cuspidal points with Milnor number $(30-1)(30-2)$ that satisfy the semicontinuity of the spectrum. Out of these, all but the three ($(18;42,65)$, $(18;42,64,69)$ and $(18;42,63,48)$) satisfy the semigroup property. All three fail the semigroup property for $j=1$. In particular, for these three cases the semigroup property obstructs the cases which pass the semicontinuity of the spectrum criterion. (15; 55, 69) | (18;42,64,69) | (20; 30, 59) | (25; 30, 59) ---|---|---|--- (15; 57, 71) | (18;42,63,68) | (24; 30, 57, 62) | (27; 30, 59) (15;59) | (20; 30,55,64) | (24;30,58,63) | (28; 30,59) (18;42,65) | (20; 30,58,67) | (24; 30,59) | (29; 30) Table 2. Cuspidal singular points with Milnor number $752$ satisfying the semicontinuity of the spectrum criterion. ###### Example 6.16. The configuration of five critical points $(2;3)$, $(2;3)$, $(2;5)$, $(5;7)$ and $(5;11)$ passes the semigroup, the spectrum and the Orevkov criterion for a degree $10$ curve. In other words, none of the aforementioned criteria obstructs the existence of such curve. We point out that it is conjectured (see [13, 22]) that a rational cuspidal curve can have at most $4$ singular points. In other words, these three criteria alone are insufficient to prove that conjecture. ## References * [1] V.I. Arnold, A.N. Varchenko, S.M. Gussein–Zade, Singularities of differentiable mappings. II., “Nauka”, Moscow, 1984. * [2] M. Borodzik, A. Némethi, Spectrum of plane curves via knot theory, J. London Math. Soc. 86 (2012), 87–110. * [3] E. Brieskorn, H. Knörrer, Plane Algebraic Curves, Birkhäuser, Basel–Boston–Stuttgart, 1986. * [4] J. Coolidge, _A treatise on plane algebraic curves_ , Oxford Univ. Press, Oxford, 1928. * [5] J. Fernández de Bobadilla, I. Luengo, A. Melle-Hernández, A. Némethi, _Classification of rational unicuspidal projective curves whose singularities have one Puiseux pair_ , Proceedings of Sao Carlos Workshop 2004 Real and Complex Singularities, Series Trends in Mathematics, Birkhäuser 2007, 31–46. * [6] J. Fernández de Bobadilla, I. Luengo, A. Melle-Hernández, A. Némethi, _On rational cuspidal projective plane curves_ , Proc. of London Math. Soc., 92 (2006), 99–138. * [7] G. M. Greuel, C. Lossen, E. Shustin, _Introduction to singularities and deformations_ , Springer Monographs in Mathematics. Springer, Berlin, 2007. * [8] M. Hedden, _On knot Floer homology and cabling. II_ , Int. Math. Res. Not. 2009, No. 12, 2248–2274. * [9] S. Hancock, J. Hom, M. Newmann, _On the knot Floer filtration of the concordance group_ , preprint 2012, arxiv:1210.4193. * [10] M. Hedden, C. Livingston, D. Ruberman, _Topologically slice knots with nontrivial Alexander polynomial_ , Adv. Math. 231 (2012), 913–939. * [11] T. Matsuoka, F. Sakai, _The degree of rational cuspidal curves_ , Math. Ann. 285 (1989), 233–247. * [12] J. Milnor, _Singular points of complex hypersurfaces_ , Annals of Mathematics Studies. 61, Princeton University Press and the University of Tokyo Press, Princeton, NJ, 1968. * [13] T. K. Moe, _Rational cuspidal curves_ , Master Thesis, University of Oslo 2008, permanent link at University of Oslo: https://www.duo.uio.no/handle/123456789/10759. * [14] M. Nagata, _On rational surfaces. I: Irreducible curves of arithmetic genus 0 or 1_ , Mem. Coll. Sci., Univ. Kyoto, Ser. A 32 (1960), 351–370. * [15] A. Némethi, _Lattice cohomology of normal surface singularities_ , Publ. RIMS. Kyoto Univ., 44 (2008), 507–543. * [16] A. Némethi, L. Nicolaescu, _Seiberg-Witten invariants and surface singularities: Splicings and cyclic covers_ , Selecta Math., New series, Vol. 11 (2005), 399–451. * [17] A Némethi, F. Róman, _The lattice cohomology of $S^{3}_{−d}(K)$_ in: Zeta functions in algebra and geometry, 261–292, Contemp. Math., 566, Amer. Math. Soc., Providence, RI, 2012. * [18] S. Orevkov, _On rational cuspidal curves. I. Sharp estimates for degree via multiplicity_ , Math. Ann. 324 (2002), 657–673. * [19] P. Ozsváth, Z. Szabó, _Absolutely graded Absolutely graded Floer homologies and intersection forms for four-manifolds with boundary_ , Adv. Math. 173 (2003), 179–261. * [20] P. Ozsváth, Z. Szabó, _Holomorphic disks and knot invariants_ , Adv. Math. 186 (2004), 58–116. * [21] P. Ozsváth, Z. Szabó, _On knot Floer homology and lens space surgeries_ , Topology 44 (2005), 1281–1300. * [22] J. Piontkowski, _On the number of cusps of rational cuspidal plane curves_ , Exp. Math. 16, no. 2 (2007), 251–255. * [23] J. Rasmussen, _Floer homology and knot complements_ , Harvard thesis, 2003, available at arXiv:math/0306378. * [24] M. Saito, _Exponents and Newton polyhedra of isolated hypersurface singularities_ , Math. Ann. 281 (1988), 411–417. * [25] K. Tono, _On the number of cusps of cuspidal plane curves_ , Math. Nachr. 278 (2005), 216–221. * [26] C. T. C. Wall, Singular Points of Plane Curves London Mathematical Society Student Texts, 63. Cambridge University Press, Cambridge, 2004.
arxiv-papers
2013-04-03T19:14:35
2024-09-04T02:49:43.866537
{ "license": "Public Domain", "authors": "Maciej Borodzik, Charles Livingston", "submitter": "Maciej Borodzik", "url": "https://arxiv.org/abs/1304.1062" }
1304.1403
# On the effect of rearrangement on complex interpolation for families of Banach spaces Yanqi QIU ###### Abstract. We give a new proof to show that the complex interpolation for families of Banach spaces is not stable under rearrangement of the given family on the boundary, although, by a result due to Coifman, Cwikel, Rochberg, Sagher and Weiss, it is stable when the latter family takes only 2 values. The non- stability for families taking 3 values was first obtained by Cwikel and Janson. Our method links this problem to the theory of matrix-valued Toeplitz operator and we are able to characterize all the transformations on $\mathbb{T}$ that are invariant for complex interpolation at 0, they are precisely the origin-preserving inner functions. 2010 Mathematics Subject Classification: 46B70, 46M35 Key words: complex interpolation method for families, rearrangement, matrix valued outer functions, Toeplitz operator, duality ## Introduction This paper is a remark on the theory of complex interpolation for families of Banach spaces, developed by Coifman, Cwikel, Rochberg, Sagher and Weiss in [CCRSW82]. To avoid technical difficulties, we will concentrate on finite dimensional spaces. Let $\mathbb{D}=\\{z\in\mathbb{C}:|z|<1\\}$ be the unit disc with boundary $\mathbb{T}=\partial\mathbb{D}$. The normalised Lebesgue measure on $\mathbb{T}$ is denoted by $m$. By an interpolation family, we mean a measurable family of complex $N$-dimensional normed spaces $\\{E_{\gamma}:\gamma\in\mathbb{T}\\}$, i.e., $E_{\gamma}$ is $\mathbb{C}^{N}$ equipped with norm $\|\cdot\|_{\gamma}$ and for each $x\in\mathbb{C}^{N}$, the function $\gamma\mapsto\|x\|_{\gamma}$ defined on $\mathbb{T}$ is measurable. We should also assume that $\int\log^{+}\|x\|_{\gamma}dm(\gamma)<\infty$ for any $x\in\mathbb{C}^{N}$. By definition, the interpolated space at 0 is $E[0]:=H^{\infty}(\mathbb{T};\\{E_{\gamma}\\})/zH^{\infty}(\mathbb{T};\\{E_{\gamma}\\}).$ That is, for all $x\in\mathbb{C}^{N}$, $\|x\|_{E[0]}=\inf\Big{\\{}\underset{\gamma\in\mathbb{T}}{\text{ess sup }}\|f(\gamma)\|_{E_{\gamma}}\Big{|}f:\mathbb{T}\rightarrow\mathbb{C}^{N}\text{ analytic},f(0)=x\Big{\\}}.$ More generally, for any $z\in\mathbb{D}$, the interpolated space at $z$ for the family $\\{E_{\gamma}:\gamma\in\mathbb{T}\\}$ is denoted by $E[z]$ or $\\{E_{\gamma}:\gamma\in\mathbb{T}\\}[z]$ whose norm is defined as follows. For any $x\in\mathbb{C}^{N}$, $\|x\|_{E[z]}:=\inf\Big{\\{}\underset{\gamma\in\mathbb{T}}{\text{ess sup }}\|f(\gamma)\|_{E_{\gamma}}\Big{|}f:\mathbb{T}\rightarrow\mathbb{C}^{N}\text{ analytic},f(z)=x\Big{\\}}.$ It is known (cf. [CCRSW82, Prop. 2.4]) that in the above definition, instead of using $\underset{\gamma\in\mathbb{T}}{\text{ess sup }}\|f(\gamma)\|_{E_{\gamma}}$, we can use $\Big{(}\int\|f(\gamma)\|_{E_{\gamma}}^{p}\,P_{z}(d\gamma)\Big{)}^{1/p}$ for $0<p<\infty$ or $\exp\Big{(}\int\log\|f(\gamma)\|_{E_{\gamma}}\,P_{z}(d\gamma)\Big{)}$ without changing the norm on $E[z]$. Here $P_{z}(d\gamma)$ is the harmonic measure on $\mathbb{T}$ associated to $z$. The goal of this paper is to investigate when the norm of the space $E[0]$ is invariant under a (measure preserving) rearrangement of the family $\\{E_{\gamma}:\gamma\in\mathbb{T}\\}$. A trivial example of such a rearrangement is a rotation on $\mathbb{T}$. But, as we will see, there are non trivial instances of this phenomenon. In particular, we recall the following well-known result. ###### Theorem 0.1. [CCRSW82, Cor. 5.1] If $X_{\gamma}=Z_{0}$ for all $\gamma\in\Gamma_{0}$ and $X_{\gamma}=Z_{1}$ for all $\gamma\in\Gamma_{1}$, where $\Gamma_{0}$ and $\Gamma_{1}$ are disjoint measurable sets whose union is $\mathbb{T}$, then $X[0]=(Z_{0},Z_{1})_{\theta}$, where $\theta=m(\Gamma_{1})$ and $(Z_{0},Z_{1})_{\theta}$ is the classical complex interpolation space for the pair $(Z_{0},Z_{1})$. The key fact behind this theorem is the existence for any measurable partition $\Gamma_{0}\cup\Gamma_{1}$ of the unit circle of an origin-preserving inner function taking $\Gamma_{0}$ to an arc of length $2\pi m(\Gamma_{0})$ and $\Gamma_{1}$ to the complementary arc of length. For details, see the appendix. More generally, complex interpolation at 0 is stable under the rearrangements given by any inner function vanishing at 0. ###### Proposition 0.2. Let $\varphi:\mathbb{D}\rightarrow\mathbb{C}$ be an inner function vanishing at 0. Its boundary value is denoted again by $\varphi:\mathbb{T}\rightarrow\mathbb{T}$. Then for any interpolation family $\\{E_{\gamma}:\gamma\in\mathbb{T}\\}$, the canonical identity: $Id:\\{E_{\gamma}:\gamma\in\mathbb{T}\\}[0]\rightarrow\\{E_{\varphi(\gamma)}:\gamma\in\mathbb{T}\\}[0]$ is isometric. ###### Proof. The proof is routine, for details, see the last step in the proof of Theorem 0.1 in the appendix. ∎ Theorem 0.1 shows in particular that in the 2-valued case, the complex interpolation is stable under rearrangement (the reader is referred to Lemma 5.1 for the detail). We show that in the general case, this is not the case. We learnt from the referee that this result was previously obtained by Cwikel and Janson in [Cwikel-Janson] with a different method, the statement is at the bottom of page 214, the proof is from page 278 to page 283. Our method is simpler and it also yields a characterization of all the transformations on $\mathbb{T}$ that are invariant for complex interpolation at 0, they are precisely the inner functions vanishing at 0. In other words, the converse of Proposition 0.2 holds. Here is how the paper is organised. In §1, we recall a result from Helson and Lowdenslager’s papers [HL58, HL61] on the matrix-valued outer function $F_{W}:\mathbb{D}\rightarrow M_{N}$ associated to a given matrix weight $W:\mathbb{T}\rightarrow M_{N}$. This result allows us to give an approximation formula for $|F_{W}(0)|^{2}$ when $W$ is a small perturbation of the constant weight $I$, where $I$ is the identity matrix in $M_{N}$. In §2, we study the interpolation families consisting of distorted Hilbert spaces (i.e., $\mathbb{C}^{N}$ equipped with norms $\|x\|_{\gamma}=\|W(\gamma)^{1/2}x\|_{\ell_{2}^{N}}$ for a.e. $\gamma\in\mathbb{T}$). We produce an explicit example of such a family for which complex interpolation at 0 is not stable under rearrangement. Our main results are given in §3, where we study some interpolation families consisting of 3 distorted Hilbert spaces. It is shown that in this restricted case, the complex interpolation at 0 is already non-stable under rearrangement. One advantage of our method is that we are able to characterize all the transformations on $\mathbb{T}$ that are invariant for complex interpolation at 0, they are precisely the inner functions $\Theta:\mathbb{T}\rightarrow\mathbb{T}$ such that $\Theta(0)=\widehat{\Theta}(0)=0$. §4 is mainly devoted to the stability of complex interpolation under rearrangement for families of compatible Banach lattices. We also exhibit a rather surprising non-stability example of interpolation family taking values in $\\{X,\overline{X},X^{*},\overline{X}^{*}\\}$. Finally, in the Appendix, we reformulate the argument of [CCRSW82] to prove Theorem 0.1, the proof somewhat explains why the 3-valued case is different from the 2-valued case. ## 1\. An approximation formula In this section, we first recall some results from [HL58, §5] and [HL61, §10, §11, §12] in the forms that will be convenient for us, and then deduce from them a useful formula. Let $W:\mathbb{T}\rightarrow M_{N}$ be a measurable positive semi-definite $N\times N$-matrix valued function such that $\text{tr}(W)$ is integrable. Such a function should be considered as a matrix weight. Without mentioning, all matrix weights in this paper satisfy: There exist $c,C>0$ such that (1) $\displaystyle cI\leq W(\gamma)\leq CI\quad\text{ for }a.e.\,\gamma\in\mathbb{T};$ where $I$ is the identity matrix in $M_{N}$. For such a matrix weight, let $L^{2}_{W}=L^{2}(\mathbb{T},W;S_{2}^{N})$ be the set of functions $f:\mathbb{T}\rightarrow M_{N}$ for which $\|f\|_{L_{W}^{2}}^{2}=\int\text{tr}\Big{(}f(\gamma)^{*}W(\gamma)f(\gamma)\Big{)}dm(\gamma)<\infty.$ Clearly, $L_{W}^{2}$ is a Hilbert space. We will consider two subspaces $H^{2}(W)\subset L_{W}^{2}$ and $H^{2}_{0}(W)\subset L_{W}^{2}$ defined as follows: $H^{2}(W)=\\{f\in L_{W}^{2}|\hat{f}(n)=0,\forall n<0\\},$ $H_{0}^{2}(W)=\\{f\in L_{W}^{2}|\hat{f}(n)=0,\forall n\leq 0\\}.$ Given the assumption (1) on $W$, the identity map $Id:L_{2}(\mathbb{T};S_{2}^{N})\rightarrow L_{W}^{2}$ is an isomorphism, more precisely, (2) $\displaystyle c^{1/2}\|f\|_{L^{2}(\mathbb{T};S_{2}^{N})}\leq\|f\|_{L^{2}_{W}}\leq C^{1/2}\|f\|_{L^{2}(\mathbb{T};S_{2}^{N})}.$ In particular, $H^{2}_{0}(\mathbb{T};S_{2}^{N})$ and $H^{2}_{0}(W)$ are set theoretically identical but equipped with equivalent norms. In the sequel, any element $F\in H^{2}(\mathbb{T};S_{2}^{N})$ will be identified with its holomorphic extension on $\mathbb{D}$, in particular, $F(0)=\widehat{F}(0)$, the 0-th Fourier coefficient. We recall the following theorem (a restricted form) of Helson and Lowdenslager from [HL58] and [Hel64]. We denote by $S_{2}^{N}$ the spaces of $N\times N$ complex matrices equipped with the Hilbert-Schmidt norm. ###### Theorem 1.1 (Helson-Lowdenslager). Assume $W$ a matrix weight satisfying the assumption (1). Then there exists $F\in H^{2}(\mathbb{T};S_{2}^{N})$ such that * • $F(\gamma)^{*}F(\gamma)=W(\gamma)$ for a.e. $\gamma\in\mathbb{T}$. * • $F$ is a right outer function, that is, $F\cdot H^{2}(\mathbb{T};S_{2}^{N})$ is dense in $H^{2}(\mathbb{T};S_{2}^{N})$. Let $\Phi$ be the orthogonal projection of the constant function $I$ to the subspace $H^{2}(W)\ominus H_{0}^{2}(W)\subset L_{W}^{2}$, i.e., $\Phi=P_{H^{2}(W)\ominus H_{0}^{2}(W)}(I),$ then (3) $\displaystyle\Phi(\gamma)^{*}W(\gamma)\Phi(\gamma)=|F(0)|^{2}\,\text{ for }a.e.\,\gamma\in\mathbb{T}.$ Moreover, $\Phi$ and $F$ and both invertible. If $F$ and $G$ are two (right) outer functions such that $F(\gamma)^{*}F(\gamma)=G(\gamma)^{*}G(\gamma)=W(\gamma)\,\text{ for }a.e.\,\gamma\in\mathbb{T},$ then there is a constant unitary matrix $U\in\mathscr{U}(N)$ such that $F(z)=UG(z)$ for all $z\in\mathbb{D}$. In particular, $|F(0)|^{2}=|G(0)|^{2}$ is uniquely determined by $W$, as shown by the equation (3). Within all possible such outer functions, there is a unique one such that $F(0)$ is positive, we will denote it by $F_{W}$. Let $\Psi=P_{H^{2}_{0}(W)}(I)$, where the orthogonal projection $P_{H_{0}^{2}(W)}$ is defined on the space $L_{W}^{2}$. Clearly, we have (4) $\displaystyle\Phi=I-\Psi.$ We have already known that set theoretically, $H^{2}_{0}(W)=H^{2}_{0}(\mathbb{T};S_{2}^{N})$, and they are equipped with equivalent norms, thus we have a Fourier series for $\Psi\in H_{0}^{2}(W)=H_{0}^{2}(\mathbb{T};S_{2}^{N})$: $\Psi=\sum_{n\geq 1}\widehat{\Psi}(n)\gamma^{n};$ where the convergence is in $H^{2}_{0}(\mathbb{T};S_{2}^{N})$ and hence in $H^{2}_{0}(W)$. By definition, $\Psi$ is characterized as follows. For any $A\in M_{N}$ and any $n\geq 1$, we have $\langle\Psi,\gamma^{n}A\rangle_{L_{W}^{2}}=\langle I,\gamma^{n}A\rangle_{L_{W}^{2}},$ i.e., $\int\text{tr}(\gamma^{-n}A^{*}W\Psi)dm(\gamma)=\int\text{tr}(\gamma^{-n}A^{*}W)dm(\gamma).$ Or equivalently, (5) $\displaystyle\int\gamma^{-n}W\Psi dm(\gamma)=\int\gamma^{-n}Wdm(\gamma),\text{ for }n\geq 1.$ We denote by $P_{+}$ the orthogonal projection of $L^{2}(\mathbb{T})$ onto the subspace $H^{2}_{0}(\mathbb{T})$. The generalized projection $P_{+}\otimes I_{X}$ on $L_{p}(\mathbb{T};X)$ for $1<p<\infty$ will still be denoted by $P_{+}$ . Note that $P_{+}$ is slightly different to the usual Riesz projection, the latter is defined as the orthogonal projection onto $H^{2}(\mathbb{T})$. Similarly, we denote by $P_{-}$ the orthogonal projection onto $\overline{H_{0}^{2}(\mathbb{T})}$ and also its generalisation on $L_{p}(\mathbb{T};X)$ when it is bounded. With this notation, the equation system (5) is equivalent to (6) $\displaystyle P_{+}(W\Psi)=P_{+}(W).$ Key observation: If $W$ is a perturbation of identity, that is, if there exists a measurable function $\Delta:\mathbb{T}\rightarrow M_{N}$ such that $\Delta(\gamma)^{*}=\Delta(\gamma)\,\text{ for }a.e.\gamma\in\mathbb{T}\text{ and }\|\Delta\|_{L_{\infty}(\mathbb{T};M_{N})}<1$ and $W=I+\Delta;$ then the equation (6) has the form (7) $\displaystyle\Psi+P_{+}(\Delta\Psi)=P_{+}(\Delta).$ The above equation can be solved using a Taylor series. To make the last sentence in the preceding observation rigorous, we introduce the following Toeplitz type operator: $T_{\Delta}:H_{0}^{2}(\mathbb{T};S_{2}^{N})\xrightarrow{L_{\Delta}}L^{2}(\mathbb{T};S_{2}^{N})\xrightarrow{P_{+}}H_{0}^{2}(\mathbb{T};S_{2}^{N});$ where $L_{\Delta}:H_{0}^{2}(\mathbb{T};S_{2}^{N})\rightarrow L^{2}(\mathbb{T};S_{2}^{N})$ is the left multiplication by $\Delta$ on the subspace $H_{0}^{2}(\mathbb{T};S_{2}^{N})$. More precisely, $(L_{\Delta}f)(\gamma)=\Delta(\gamma)f(\gamma)\text{ for any }f\in L^{2}(\mathbb{T};S_{2}^{N}).$ Clearly, we have $\|T_{\Delta}\|\leq\|\Delta\|_{L_{\infty}(\mathbb{T};M_{N})}<1.$ The term $P_{+}(\Delta)$ in equation (7) should be treated as an element in $H_{0}^{2}(\mathbb{T};S_{2}^{N})$, then the equation (7) has the form (8) $\displaystyle(Id+T_{\Delta})(\Psi)=P_{+}(\Delta).$ Since $\|T_{\Delta}\|<1$, the operator $Id+T_{\Delta}$ is invertible. Thus equation (8) has a unique solution $\Psi\in H_{0}^{2}(\mathbb{T};S_{2}^{N})=H^{2}_{0}(W)$ given by the formula: (9) $\displaystyle\Psi$ $\displaystyle=$ $\displaystyle(Id+T_{\Delta})^{-1}(P_{+}(\Delta))=\sum_{n=0}^{\infty}(-1)^{n}T_{\Delta}^{n}(P_{+}(\Delta));$ where $T^{0}_{\Delta}(P_{+}(\Delta))=P_{+}(\Delta)$, and the convergence is understood in the space $H^{2}_{0}(\mathbb{T};S_{2}^{N})$. Combining equations (3), (4) and (9), we deduce the following formula: $\displaystyle|F_{I+\Delta}(0)|^{2}=$ $\displaystyle\Big{[}I-\sum_{n=0}^{\infty}(-1)^{n}T_{\Delta}^{n}(P_{+}(\Delta))\Big{]}^{*}(I+\Delta)\times$ $\displaystyle\times\Big{[}I-\sum_{n=0}^{\infty}(-1)^{n}T_{\Delta}^{n}(P_{+}(\Delta))\Big{]}.$ We summarize the above discussion in the following: ###### Proposition 1.2. Let $\Delta:\mathbb{T}\rightarrow M_{N}$ be a measurable bounded selfadjoint function such that $\|\Delta\|_{L_{\infty}(\mathbb{T};M_{N})}<1$. Let $\varepsilon\in[0,1]$, then we have $\displaystyle|F_{I+\varepsilon\Delta}(0)|^{2}=$ $\displaystyle\Big{[}I-\sum_{n=0}^{\infty}(-1)^{n}\varepsilon^{n+1}T_{\Delta}^{n}(P_{+}(\Delta))\Big{]}^{*}(I+\varepsilon\Delta)\times$ $\displaystyle\times\Big{[}I-\sum_{n=0}^{\infty}(-1)^{n}\varepsilon^{n+1}T_{\Delta}^{n}(P_{+}(\Delta))\Big{]}.$ In particular, we have (10) $\displaystyle|F_{I+\varepsilon\Delta}(0)|^{2}=I+\varepsilon\widehat{\Delta}(0)-\varepsilon^{2}\sum_{n\geq 1}|\widehat{\Delta}(n)|^{2}+\mathcal{O}(\varepsilon^{3}),\text{ as }\varepsilon\to 0^{+}.$ ###### Proof. It suffices to prove the approximation identity (10). We have (11) $\displaystyle\begin{split}|F_{I+\varepsilon\Delta}(0)|^{2}=&\Big{[}I-\varepsilon P_{+}(\Delta)+\varepsilon^{2}T_{\Delta}(P_{+}(\Delta))+\mathcal{O}(\varepsilon^{3})\Big{]}^{*}(I+\varepsilon\Delta)\times\\\ &\times\Big{[}I-\varepsilon P_{+}(\Delta)+\varepsilon^{2}T_{\Delta}(P_{+}(\Delta))+\mathcal{O}(\varepsilon^{3})\Big{]}\\\ =&I+\varepsilon R_{1}+\varepsilon^{2}R_{2}+\mathcal{O}(\varepsilon^{3}),\text{ as }\varepsilon\to 0^{+};\end{split}$ where $R_{1}=\Delta-P_{+}(\Delta)-P_{+}(\Delta)^{*},$ $R_{2}=P_{+}(\Delta)^{*}P_{+}(\Delta)-\Delta P_{+}(\Delta)-P_{+}(\Delta)^{*}\Delta+T_{\Delta}(P_{+}(\Delta))+T_{\Delta}(P_{+}(\Delta))^{*}.$ For $R_{1}$, we note that since $\Delta$ is selfadjoint, $P_{-}(\Delta)=P_{+}(\Delta)^{*}$ and hence (12) $\displaystyle\Delta=P_{+}(\Delta)+P_{+}(\Delta)^{*}+\widehat{\Delta}(0).$ Thus $R_{1}=\widehat{\Delta}(0).$ For $R_{2}$, we note that since the left hand side of equation (11) is independent of $\gamma\in\mathbb{T}$, the right hand side should also be independent of $\gamma$, hence $R_{2}$ must be independent of $\gamma$, it follows that $\displaystyle R_{2}$ $\displaystyle=$ $\displaystyle\int R_{2}(\gamma)dm(\gamma)$ $\displaystyle=$ $\displaystyle\int\Big{(}P_{+}(\Delta)^{*}P_{+}(\Delta)-\Delta P_{+}(\Delta)-P_{+}(\Delta)^{*}\Delta\Big{)}dm(\gamma)$ $\displaystyle=$ $\displaystyle-\sum_{n\geq 1}\widehat{\Delta}(n)^{*}\widehat{\Delta}(n)=-\sum_{n\geq 1}|\widehat{\Delta}(n)|^{2}.$ ∎ ## 2\. Interpolation Families in the Continuous Case To any invertible matrix $A\in GL_{N}(\mathbb{C})$ is associated a Hilbertian norm $\|\cdot\|_{A}$ on $\mathbb{C}^{N}$, which is defined as follows: $\|x\|_{A}=\|Ax\|_{\ell_{2}^{N}},\text{ for any }x\in\mathbb{C}^{N};$ where $\ell_{2}^{N}$ denotes the space $\mathbb{C}^{N}$ with the usual Euclidean norm. Let us denote $\ell_{A}^{2}:=(\mathbb{C}^{N},\|\cdot\|_{A}).$ We have the following elementary properties: * • Let $A,B\in GL_{N}(\mathbb{C})$, then they define the same norm on $\mathbb{C}^{N}$ if and only if $|A|=|B|$. Thus, if $U\in\mathscr{U}(N)$ is a $N\times N$ unitary matrix, then $\|\cdot\|_{UA}=\|\cdot\|_{A}$. * • We define a pairing $(x,y)=\sum_{n=1}^{N}x_{n}y_{n}$ for any $x,y\in\mathbb{C}^{N}$, then under this pairing, we have the canonical isometries: $(\ell_{A}^{2})^{*}=\ell_{A^{-T}}^{2};$ where $A^{-T}$ is the inverse of the tranpose matrix $A^{T}$. * • We have the following canonical isometries: $\overline{\ell_{A}^{2}}=\ell_{\overline{A}}^{2}\,\text{ and }\,\overline{\ell_{A}^{2}}^{*}=\ell_{(A^{*})^{-1}}^{2}.$ Here we recall that, for a complex Banach space $X$, its complex conjugate $\overline{X}$ is defined to be the space consists of the same element of $X$, but with scalar multiplication $\lambda\cdot v=\bar{\lambda}v,\text{ for }\lambda\in\mathbb{C},v\in X.$ Consider an $N\times N$-matrix weight $W$. To such a weight is associated an interpolation family $\\{\ell^{2}_{w(\gamma)}:\gamma\in\mathbb{T}\\},\text{ where }w(\gamma)=\sqrt{W(\gamma)}.$ The following elementary proposition will be used frequently: ###### Proposition 2.1. For interpolation family $\\{E_{\gamma}:\gamma\in\mathbb{T}\\}$ with $E_{\gamma}=\ell_{w(\gamma)}^{2}$, we have $E[0]=\ell^{2}_{F(0)}$, that is, $\|x\|_{E[0]}=\|F(0)x\|_{\ell_{2}^{N}},\,\text{ for all }x\in\mathbb{C}^{N};$ where $F(z)$ is any right outer function associated to the weight $W$. ###### Proof. By the definition of right outer function associated to the weight $W$, (13) $\displaystyle F(\gamma)^{*}F(\gamma)=W(\gamma)\,\text{ for }a.e.\,\gamma\in\mathbb{T}.$ For any $x\in\mathbb{C}^{N}$, define an analytic function $f_{x}:\mathbb{D}\rightarrow\mathbb{C}^{N}$ by $f_{x}(z)=F(z)^{-1}F(0)x,$ then $f_{x}(0)=x$ and for a.e. $\gamma\in\mathbb{T}$, $\displaystyle\|f_{x}(\gamma)\|_{w(\gamma)}^{2}$ $\displaystyle=$ $\displaystyle\langle W(\gamma)F(\gamma)^{-1}F(0)x,F(\gamma)^{-1}F(0)x\rangle$ $\displaystyle=$ $\displaystyle\langle F(\gamma)^{*}F(\gamma)F(\gamma)^{-1}F(0)x,F(\gamma)^{-1}F(0)x\rangle$ $\displaystyle=$ $\displaystyle\|F(0)x\|_{\ell_{2}^{N}}^{2}.$ This shows that $\|f_{x}\|_{H^{\infty}(\mathbb{T};\\{E_{\gamma}\\})}\leq\|F(0)x\|_{\ell_{2}^{N}}$, whence $\|x\|_{E[0]}\leq\|F(0)x\|_{\ell_{2}^{N}}=\|x\|_{\ell_{F(0)}^{2}}.$ The converse inequality will be given by duality, it suffices to show that $\|x\|_{E[0]^{*}}\leq\|x\|_{\ell_{F(0)^{-T}}^{2}}=\|x\|_{(\ell_{F(0)}^{2})^{*}}.$ Consider the dual interpolation family $\\{E_{\gamma}^{*}:\gamma\in\mathbb{T}\\}=\\{\ell_{w(\gamma)^{-T}}^{2}:\gamma\in\mathbb{T}\\},$ which is naturally given by the weight $W(\gamma)^{-T}=(w(\gamma)^{-T})^{*}w(\gamma)^{-T}$. By [CCRSW82, Th. 2.12], we have a canonical isometry $\\{E_{\gamma}^{*}:\gamma\in\mathbb{T}\\}[0]=E[0]^{*}.$ The identity (13) implies $(F(\gamma)^{-T})^{*}F(\gamma)^{-T}=W(\gamma)^{-T}\,\text{ for }a.e.\,\gamma\in\mathbb{T}.$ Thus $F(z)^{-T}$ is the right outer function associated to the weight $W(\gamma)^{-T}$. Then the same argument as above yields that $\|x\|_{E[0]^{*}}\leq\|x\|_{\ell_{F(0)^{-T}}^{2}}=\|x\|_{(\ell_{F(0)}^{2})^{*}}.$ ∎ ###### Remark 2.2. More generally, assume that $X$ is a (finite dimensional) normed space such that $M_{N}\subset End(X)$ and $\|u\cdot x\|_{X}=\|x\|_{X}$ for any $u\in\mathscr{U}(N)$. For instance $X=S_{p}^{N}\,(1\leq p\leq\infty)$ and $M_{N}$ acts on $S_{p}^{N}$ by the usual left multiplications of matrices. Consider the interpolation family $E_{\gamma}=(X,\|\cdot\|_{X;\,A(\gamma)})$ with $\|x\|_{X;\,A(\gamma)}=\|A(\gamma)\cdot x\|_{X}$ for any $\gamma\in\mathbb{T}$, then $E[0]=(X,\|\cdot\|_{B(0)})$ with $\|x\|_{B(0)}=\|B(0)\cdot x\|_{X}$, where $B(z)$ is any right outer function associated to the matrix weight $A(\gamma)^{*}A(\gamma)$. The following result is probably known to the experts of prediction theory, since we do not find it in the literature, we include its proof. ###### Proposition 2.3. The function $\\{W(\gamma):\gamma\in\mathbb{T}\\}\mapsto F_{W}(0)$ or equivalently $\\{W(\gamma):\gamma\in\mathbb{T}\\}\mapsto|F(0)|^{2}$ is not stable under rearrangement. More precisely, there exists a family $\\{W(\gamma):\gamma\in\mathbb{T}\\}$ and a measure preserving mapping $S:\mathbb{T}\rightarrow\mathbb{T}$, such that $F_{W}(0)\neq F_{W\circ S}(0).$ Before we proceed to the proof of the proposition, let us mention that if the weight $W(\gamma)$ takes only 2 distinct values, i.e., if $W(\gamma)=A_{0}$ for $\gamma\in\Gamma_{0}$ and $W(\gamma)=A_{1}$ for $\gamma\in\Gamma_{1}$ with $\mathbb{T}=\Gamma_{0}\cup\Gamma_{1}$ a measurable partition, then a detailed computation shows that we have $F_{W}(0)^{2}=A_{0}^{1/2}(A_{0}^{-1/2}A_{1}A_{0}^{-1/2})^{m(\Gamma_{1})}A_{0}^{1/2}=A_{1}^{1/2}(A_{1}^{-1/2}A_{0}A_{1}^{-1/2})^{m(\Gamma_{0})}A_{1}^{1/2}.$ In particular, $F_{W}(0)=F_{W\circ M}(0)$ for any measure preserving mapping $M:\mathbb{T}\rightarrow\mathbb{T}$. Of course, this can be viewed as a special case of Theorem 0.1. The fact that we can calculate $F_{W}(0)$ efficiently in the above situation is due to the fundamental fact that two quadratic forms can always be simultaneously diagonalized. ###### Proof. Fix $r>0$, define two $M_{2}$-valued bounded analytic functions $F_{1},F_{2}:\mathbb{D}\rightarrow M_{2}$ by $F_{1}(z)=\left[\begin{array}[]{cc}(1+r^{2})^{1/4}&r(1+r^{2})^{-1/4}z\\\ 0&(1+r^{2})^{-1/4}\end{array}\right],$ $F_{2}(z)=\left[\begin{array}[]{cc}(1+r^{2})^{-1/4}&0\\\ r(1+r^{2})^{-1/4}z&(1+r^{2})^{1/4}\end{array}\right].$ Note that they are both outer since $z\rightarrow F_{1}(z)^{-1}$ and $z\rightarrow F_{2}(z)^{-1}$ are bounded on $\mathbb{D}$. By a direct computation, $F_{1}(e^{i\theta})^{*}F_{1}(e^{i\theta})=W_{1}(e^{i\theta})=\left[\begin{array}[]{cc}(1+r^{2})^{1/2}&re^{i\theta}\\\ re^{-i\theta}&(1+r^{2})^{1/2}\end{array}\right],$ $F_{2}(e^{i\theta})^{*}F_{2}(e^{i\theta})=W_{2}(e^{i\theta})=\left[\begin{array}[]{cc}(1+r^{2})^{1/2}&re^{-i\theta}\\\ re^{i\theta}&(1+r^{2})^{1/2}\end{array}\right].$ If we define $S:\mathbb{T}\rightarrow\mathbb{T}$ by $S(\gamma)=\overline{\gamma}$, then $S$ is measure preserving and $W_{2}=W_{1}\circ S$. By noting that $F_{1}(0)$ and $F_{2}(0)$ are positive, we have $F_{1}=F_{W_{1}}$ and $F_{2}=F_{W_{2}}=F_{W_{1}\circ S}$. However, $F_{W_{1}\circ S}(0)=F_{2}(0)\neq F_{1}(0)=F_{W_{1}}(0)$. ∎ We denote $W^{(r)}(e^{i\theta}):=\left[\begin{array}[]{cc}(1+r^{2})^{1/2}&re^{i\theta}\\\ re^{-i\theta}&(1+r^{2})^{1/2}\end{array}\right],$ and let $w^{(r)}(\gamma)=\sqrt{W^{(r)}(\gamma)}$. The notation $S:\mathbb{T}\rightarrow\mathbb{T}$ will be reserved for the complex conjugation mapping. An immediate consequence of Propositions 2.1 and 2.3 is the following: ###### Corollary 2.4. The interpolation family $\\{\widetilde{E}^{(r)}_{\gamma}=\ell_{(w^{(r)}\circ S)(\gamma)}^{2}:\gamma\in\mathbb{T}\\}$ is a rearrangement of the family $\\{E^{(r)}_{\gamma}=\ell^{2}_{w^{(r)}(\gamma)}:\gamma\in\mathbb{T}\\}$. The identity mapping $Id:\widetilde{E}^{(r)}[0]\rightarrow E^{(r)}[0]$ has norm $\|Id:\widetilde{E}^{(r)}[0]\rightarrow E^{(r)}[0]\|=(1+r^{2})^{1/2}.$ ###### Proof. Indeed, we have: $\displaystyle\|Id:\widetilde{E}^{(r)}[0]\rightarrow E^{(r)}[0]\|=\sup_{x\neq 0}\frac{\|F_{W^{(r)}}(0)x\|_{\ell_{2}^{2}}}{\|F_{W^{(r)}\circ S}(0)x\|_{\ell_{2}^{2}}}$ $\displaystyle=\|F_{W^{(r)}}(0)F_{W^{(r)}\circ S}(0)^{-1}\|_{M_{2}}=(1+r^{2})^{1/2}.$ ∎ ###### Remark 2.5. By Corollary 2.4 and a suitable discretization argument, we can show that if $J_{k}=\Big{\\{}e^{i\theta}:\frac{(k-1)\pi}{4}\leq\theta<\frac{k\pi}{4}\Big{\\}},$ for $1\leq k\leq 8$, and let $\gamma_{k}\in J_{k}$ be the center point on $J_{k}$, then the interpolation families $B^{(r_{0})}_{\gamma}=\ell^{2}_{w^{(r_{0})}(\gamma_{k})}$ if $\gamma\in J_{k}$ and $\widetilde{B}^{(r_{0})}_{\gamma}=\ell^{2}_{w^{(r_{0})}(\bar{\gamma}_{k})}$ if $\gamma\in J_{k}$ for $r_{0}=\sqrt{2+2\sqrt{2}}$ give different interpolation space at 0, i.e., $\|Id:\widetilde{B}^{(r_{0})}[0]\rightarrow B^{(r_{0})}[0]\|>1.$ We omit its proof, because in the next section, we give a better result by using the formula obtained in §1. ## 3\. Interpolation for three Hilbert spaces In this section, we will show that complex interpolation is not stable even for a familiy taking only 3 distinct Hilbertian spaces. The starting point of this section is Proposition 1. Our proof is somewhat abstract, but it explains why the 3-valued case becomes different from the 2-valued case, the idea used in the proof will be applied further to get a characterization of measurable transformations on $\mathbb{T}$ that perserve complex interpolation at 0. ###### Theorem 3.1. There are two different measurable partitions of the unit circle: $\mathbb{T}=S_{1}\cup S_{2}\cup S_{3}=S_{1}^{\prime}\cup S_{2}^{\prime}\cup S_{3}^{\prime},\,\,m(S_{k})=m(S_{k}^{\prime}),\text{ for }k=1,2,3,$ and three constant selfadjoint matrices $\Delta_{k}\in M_{2}$ for $k=1,2,3$, such that if we let $\Delta=\Delta_{1}1_{S_{1}}+\Delta_{2}1_{S_{2}}+\Delta_{3}1_{S_{3}}\text{ and }\Delta^{\prime}=\Delta_{1}1_{S_{1}^{\prime}}+\Delta_{2}1_{S_{2}^{\prime}}+\Delta_{3}1_{S_{3}^{\prime}},$ then $\sum_{n\geq 1}|\widehat{\Delta}(n)|^{2}\neq\sum_{n\geq 1}|\widehat{\Delta^{\prime}}(n)|^{2}.$ Before turning to the proof of the above theorem, we state our main result. ###### Corollary 3.2. Let $\Delta,\Delta^{\prime}$ be as in Theorem 3.1. For $0<\varepsilon<\frac{1}{\,\,\|\Delta\|_{\infty}}$, we define two matrix weights which are perturbation of identity: $W_{\varepsilon}=I+\varepsilon\Delta,\,\,W_{\varepsilon}^{\prime}=I+\varepsilon\Delta^{\prime}.$ Denote $w_{\varepsilon}$ and $w_{\varepsilon}^{\prime}$ the square root of $W_{\varepsilon}$ and $W^{\prime}_{\varepsilon}$ respectively. Then there exists $\varepsilon_{0}<1$ such that whenever $0<\varepsilon<\varepsilon_{0}$, we have $|F_{W_{\varepsilon}}(0)|^{2}\neq|F_{W_{\varepsilon}^{\prime}}(0)|^{2}.$ Thus, whenever $0<\varepsilon<\varepsilon_{0}$, the following two interpolation families $\\{\ell^{2}_{w_{\varepsilon}(\gamma)}:\gamma\in\mathbb{T}\\},\quad\\{\ell^{2}_{w^{\prime}_{\varepsilon}(\gamma)}:\gamma\in\mathbb{T}\\}$ have the same distribution and take only 3 distinct values. However, the interpolation spaces at 0 given by these two families are different: $\ell^{2}_{F_{W_{\varepsilon}(0)}}\neq\ell^{2}_{F_{W^{\prime}_{\varepsilon}(0)}}.$ ###### Proof. This is an immediate corollary of Proposition 1.2 and Theorem 3.1. The last assertion follows from Proposition 2.1. ∎ ###### Remark 3.3. We verify that in the two main cases where the interpolation is stable under rearrangement, the function $\Delta\mapsto\sum_{n\geq 1}|\hat{\Delta}(n)|^{2}$ is stable under rearrangement. Note first that we have the following matrix identity: $\sum_{n\geq 1}|\widehat{\Delta}(n)|^{2}=\int|P_{+}(\Delta)|^{2}dm.$ * • 2-valued case: If $\Delta$ is a 2-valued selfadjoint function, i.e, there is a measurable subset $A\subset\mathbb{T}$ and two selfadjoint matrices $\Delta_{1},\Delta_{2}\in M_{N}$, such that $\Delta=\Delta_{1}1_{A}+\Delta_{2}1_{A^{c}}$ then $\displaystyle\sum_{n\geq 1}|\widehat{\Delta}(n)|^{2}=$ $\displaystyle\int|P_{+}(\Delta)|^{2}dm=\int\Big{|}P_{+}\Big{(}(\Delta_{1}-\Delta_{2})1_{A}+\Delta_{2}\Big{)}\Big{|}^{2}dm$ $\displaystyle=$ $\displaystyle|\Delta_{1}-\Delta_{2}|^{2}\int|P_{+}(1_{A})|^{2}dm$ $\displaystyle=$ $\displaystyle\frac{m(A)-m(A)^{2}}{2}|\Delta_{1}-\Delta_{2}|^{2},$ which depends on the measure of $A$ but not the other structure of $A$. More generally, we note in passing that for any real valued $f$ in $L_{2}(\mathbb{T})$ the expression $2\|P_{+}(f)\|_{2}^{2}=2\sum_{n\geq 1}|\widehat{f}(n)|^{2}$ coincides with the variance of $f$. * • Rearrangement under inner functions: Let $\varphi:\mathbb{T}\rightarrow\mathbb{T}$ be the boundary value of an origin- preserving inner function. Assume $\Delta:\mathbb{T}\rightarrow M_{N}$ selfadjoint. Note that $P_{+}(\Delta\circ\varphi)=P_{+}(\Delta)\circ\varphi$ and that $\varphi$ preserves the measure $m$. Hence $\displaystyle\sum_{n\geq 1}|\widehat{(\Delta\circ\varphi)}(n)|^{2}=$ $\displaystyle\int|P_{+}(\Delta\circ\varphi)|^{2}dm=\int|P_{+}(\Delta)\circ\varphi|^{2}dm$ $\displaystyle=$ $\displaystyle\int|P_{+}(\Delta)|^{2}dm=\sum_{n\geq 1}|\widehat{\Delta}(n)|^{2}.$ ###### Proof of Theorem 3.1. Assume by contradiction that for any pair of 3-valued selfadjoint functions $\Delta$ and $\Delta^{\prime}$ as in the statement of Theorem 3.1, we have (14) $\displaystyle\sum_{n\geq 1}|\widehat{\Delta}(n)|^{2}=\sum_{n\geq 1}|\widehat{\Delta^{\prime}}(n)|^{2}.$ We make the following reduction. Step 1: The above assumption implies that for any pair of functions, $\Delta,\Delta^{\prime}$ taking values in the same set of three matrices and having identical distribution, the equation (14) holds as well. Indeed, given such a pair, we can consider the pair of selfadjoint functions which are still 3-valued: $\gamma\rightarrow\left[\begin{array}[]{cc}0&\Delta(\gamma)^{*}\\\ \Delta(\gamma)&0\end{array}\right]\text{ and }\gamma\rightarrow\left[\begin{array}[]{cc}0&\Delta^{\prime}(\gamma)^{*}\\\ \Delta^{\prime}(\gamma)&0\end{array}\right].$ Then the square of the $n$-th Fourier coefficient becomes $\left[\begin{array}[]{cc}|\widehat{\Delta}(n)|^{2}&0\\\ 0&|\widehat{\Delta^{*}}(n)|^{2}\end{array}\right]\text{ and }\left[\begin{array}[]{cc}|\widehat{\Delta^{\prime}}(n)|^{2}&0\\\ 0&|\widehat{\Delta^{\prime*}}(n)|^{2}\end{array}\right]$ respectively. The block (1, 1)-terms then give the desired equation. Step 2: If we take $N=1$ in the above step, then the conclusion is that for any pair of 3-valued scalar functions $f,f^{\prime}\in L_{\infty}(\mathbb{T})$ such that $f\stackrel{{\scriptstyle d}}{{=}}f^{\prime}$, we have $\sum_{n\geq 1}|\widehat{f}(n)|^{2}=\sum_{n\geq 1}|\widehat{f^{\prime}}(n)|^{2}$, or equivalently, $\|P_{+}(f)\|_{2}^{2}=\|P_{+}(f^{\prime})\|_{2}^{2}.$ Consequence I: Under the above assumption, if $(A_{1},A_{2})$ is a pair of two disjoint measurable subsets of $\mathbb{T}$, and $(A_{1}^{\prime},A_{2}^{\prime})$ is another such pair such that $m(A_{1})=m(A_{1}^{\prime})$ and $m(A_{2})=m(A_{2}^{\prime})$, then (15) $\displaystyle\langle P_{+}(1_{A_{1}}),P_{+}(1_{A_{2}})\rangle_{L^{2}(\mathbb{T})}=\langle P_{+}(1_{A^{\prime}_{1}}),P_{+}(1_{A^{\prime}_{2}})\rangle_{L^{2}(\mathbb{T})}$ Indeed, if we define $A_{3}:=\mathbb{T}\setminus(A_{1}\cup A_{2})$ and $A^{\prime}_{3}:=\mathbb{T}\setminus(A^{\prime}_{1}\cup A^{\prime}_{2})$. For any $\alpha\in\mathbb{C},\alpha\neq 0,1$, consider $f_{\alpha}=\alpha 1_{A_{1}}+1_{A_{2}}+0\times 1_{A_{3}},\quad f^{\prime}_{\alpha}=\alpha 1_{A^{\prime}_{1}}+1_{A^{\prime}_{2}}+0\times 1_{A^{\prime}_{3}},$ then $f_{\alpha}$ and $f^{\prime}_{\alpha}$ are two functions taking exactly 3 values 0, 1, $\alpha$ and $f_{\alpha}\stackrel{{\scriptstyle d}}{{=}}f^{\prime}_{\alpha}$. Hence by the assumption, we have (16) $\displaystyle\|\alpha P_{+}(1_{A_{1}})+P_{+}(1_{A_{2}})\|_{2}^{2}=\|\alpha P_{+}(1_{A^{\prime}_{1}})+P_{+}(1_{A^{\prime}_{2}})\|_{2}^{2},\text{ for any }\alpha\in\mathbb{C}.$ Note that for any measurable set $A$, since $1_{A}$ is real, (17) $\displaystyle\|P_{+}(1_{A})\|_{2}^{2}=\frac{m(A)-m(A)^{2}}{2}$ Taking this in consideration, the equation (16) implies that $\Re\Big{(}\alpha\langle P_{+}(1_{A_{1}}),P_{+}(1_{A_{2}})\rangle\Big{)}=\Re\Big{(}\alpha\langle P_{+}(1_{A^{\prime}_{1}}),P_{+}(1_{A^{\prime}_{2}})\rangle\Big{)},\text{ for any }\alpha\in\mathbb{C},$ hence the equation (15) holds. Step 3: We can deduce from our assumption the following consequence. Consequence II: For any pair of scalar functions $f,f^{\prime}\in L_{\infty}(\mathbb{T})$ (without the assumption that they are both 3-valued), such that $f\stackrel{{\scriptstyle d}}{{=}}f^{\prime}$ , we have $\|P_{+}(f)\|_{2}=\|P_{+}(f^{\prime})\|_{2}.$ Indeed, if $f=\sum_{k=1}^{n}f_{k}1_{A_{k}},\quad f^{\prime}=\sum_{k=1}^{n}f_{k}1_{A^{\prime}_{k}},$ where $(A_{k})_{k=1}^{n}$ are disjoint subsets of $\mathbb{T}$, so is $(A^{\prime}_{k})_{k=1}^{n}$, moreover $m(A_{k})=m(A_{k}^{\prime})$. By (15) and (17), we have $\displaystyle\|P_{+}(f)\|_{2}^{2}$ $\displaystyle=$ $\displaystyle\sum_{k=1}^{n}|f_{k}|^{2}\cdot\|P_{+}(1_{A_{k}})\|_{2}^{2}+\sum_{1\leq k\neq l\leq n}f_{k}f_{l}\langle P_{+}(1_{A_{1}}),P_{+}(1_{A_{2}})\rangle$ $\displaystyle=$ $\displaystyle\sum_{k=1}^{n}|f_{k}|^{2}\cdot\|P_{+}(1_{A^{\prime}_{k}})\|_{2}^{2}+\sum_{1\leq k\neq l\leq n}f_{k}f_{l}\langle P_{+}(1_{A^{\prime}_{1}}),P_{+}(1_{A^{\prime}_{2}})\rangle$ $\displaystyle=$ $\displaystyle\|P_{+}(f^{\prime})\|_{2}^{2}.$ Then by an approximation argument, more precisely, by using the fact that two functions $f,f^{\prime}\in L^{2}(\mathbb{T})$ such that $f\stackrel{{\scriptstyle d}}{{=}}f$ can be approximated in $L^{2}(\mathbb{T})$ by two sequences of simple functions $(g_{n})$ and $(g_{n}^{\prime})$ such that $g_{n}\stackrel{{\scriptstyle d}}{{=}}g_{n}^{\prime}$, we can extend the above equality for pairs of equidistributed simple functions to the general equidistributed pairs of functions, as stated in Consequence II. Step 4: Now if we take $f,f^{\prime}\in L_{\infty}(\mathbb{T})$ to be $f(\gamma)=\gamma$ and $f^{\prime}(\gamma)=\overline{\gamma}$, then $f\stackrel{{\scriptstyle d}}{{=}}f^{\prime}$, but we have $\|P_{+}(f)\|_{2}=1\neq 0=\|P_{+}(f^{\prime})\|_{2},$ which contradicts Consequence II. This completes the proof. ∎ Define $T_{k}:=\Big{\\{}e^{i\theta}|\frac{2(k-1)\pi}{3}\leq\theta<\frac{2k\pi}{3}\Big{\\}}\text{ for }k=1,2,3.$ We claim that in Theorem 3.1 and hence in Corollary 3.2, we can take for example $S_{1}=S_{1}^{\prime}=T_{1},\quad S_{2}=S_{3}^{\prime}=T_{2},\quad S_{3}=S_{2}^{\prime}=T_{3}.$ Indeed, by the proof of Theorem 3.1, here we only need to show that $\displaystyle\langle P_{+}(1_{T_{1}}),P_{+}(1_{T_{2}})\rangle\neq\langle P_{+}(1_{T_{1}}),P_{+}(1_{T_{3}})\rangle.$ Since $1_{T_{1}}(\gamma)=1_{T_{3}}(e^{-i\frac{2\pi}{3}}\gamma)$ and $1_{T_{2}}(\gamma)=1_{T_{1}}(e^{-i\frac{2\pi}{3}}\gamma)$, we have $\langle P_{+}(1_{T_{1}}),P_{+}(1_{T_{3}})\rangle=\langle P_{+}(1_{T_{2}}),P_{+}(1_{T_{1}})\rangle.$ Thus we only need to show that (18) $\displaystyle\Im\Big{(}\langle P_{+}(1_{T_{1}}),P_{+}(1_{T_{2}})\rangle\Big{)}\neq 0.$ Note that $\Im\Big{(}\widehat{1_{T_{1}}}(n)\overline{\widehat{1_{T_{2}}}(n)}\Big{)}=\frac{\sin\frac{2\pi}{3}(1-\cos\frac{2\pi}{3})}{2\pi^{2}n^{2}}\times\left\\{\begin{array}[]{cl}0,&\text{ if }n\equiv 0\mod 3;\\\ 1,&\text{ if }n\equiv 1\mod 3;\\\ -1,&\text{ if }n\equiv 2\mod 3.\end{array}\right.$ Hence $\displaystyle\Im\Big{(}\langle P_{+}(1_{T_{1}}),P_{+}(1_{T_{2}})\rangle\Big{)}$ $\displaystyle=$ $\displaystyle\frac{3\sin\frac{2\pi}{3}(1-\cos\frac{2\pi}{3})}{2\pi^{2}}\sum_{k=0}^{\infty}\frac{2k+1}{(3k+1)^{2}(3k+2)^{2}},$ which is non-zero, as we expected. The same idea as in the proof of Theorem 3.1 yields the following characterization: combining with Proposition 0.2, we have characterized all measurable transformations on $\mathbb{T}$ that preserve complex interpolation at 0. At this stage, the proof is quite direct. ###### Theorem 3.4. Let $\Theta:\mathbb{T}\rightarrow\mathbb{T}$ be a measurable transformation. If for any interpolation family $\\{E_{\gamma};\gamma\in\mathbb{T}\\}$, we have $\\{E_{\gamma}:\gamma\in\mathbb{T}\\}[0]=\\{E_{\Theta(\gamma)}:\gamma\in\mathbb{T}\\}[0],$ then $\Theta$ is an inner function and $\hat{\Theta}(0)=0$. ###### Remark 3.5. The main point of Theorem 3.4 is to characterize all the transformations which preserve the interpolation spaces at origin. ###### Proof. It suffices to show that $\Theta\in H_{0}^{\infty}(\mathbb{T})$, since by definition $\Theta(\gamma)$ has modulus 1 for $a.e.\,\gamma\in\mathbb{T}$. By Propositions 1.2, 2.1 and similar arguments in the proof of Theorem 3.1, we have (19) $\displaystyle\|P_{+}(f\circ\Theta)\|_{2}=\|P_{+}(f)\|_{2},\text{ for any scalar function }f\in L_{\infty}(\mathbb{T}).$ Now take $f(\gamma)=\overline{\gamma}$, we have $\|P_{+}(\overline{\Theta})\|_{2}=\|P_{+}(\overline{\gamma})\|_{2}=0$, which implies that $\overline{\Theta}\in\overline{H^{\infty}(\mathbb{T})}$ and hence $\Theta\in H^{\infty}(\mathbb{T})$. Then we can write $\Theta=\widehat{\Theta}(0)+P_{+}(\Theta)$. In (19), if we take $f(\gamma)=\gamma$, then $\|P_{+}(\Theta)\|_{2}=\|P_{+}(\gamma)\|_{2}=1$. Note that $1=\|\Theta\|_{2}^{2}=|\widehat{\Theta}(0)|^{2}+\|P_{+}(\Theta)\|_{2}^{2},$ whence $\widehat{\Theta}(0)=0$. This completes the proof. ∎ ## 4\. Some related comments Recall that an $N$-dimensional (complex) Banach space $\mathscr{L}$ is called a (complex) Banach lattice with respect to a fixed basis $(e_{1},\cdots,e_{N})$ of $\mathscr{L}$ if it satisfies the lattice axiom: For any $x_{k},y_{k}\in\mathbb{C}$ such that $|x_{k}|\leq|y_{k}|$ for all $1\leq k\leq N$, $\|\sum_{k=1}^{N}x_{k}e_{k}\|_{\mathscr{L}}\leq\|\sum_{k=1}^{N}y_{k}e_{k}\|_{\mathscr{L}}.$ Thus in particular, $\|\sum_{k=1}^{N}x_{k}e_{k}\|_{\mathscr{L}}=\|\sum_{k=1}^{N}|x_{k}|e_{k}\|_{\mathscr{L}}.$ The above fixed basis $(e_{1},\cdots,e_{N})$ will be called a lattice-basis of $\mathscr{L}$. Such a Banach lattice $\mathscr{L}$ will be viewed as function spaces over the $N$-point set $[N]=\\{1,\cdots,N\\}$ in such a way that $e_{k}$ corresponds to the Dirac function at the point $k$. Thus for $x,y\in\mathscr{L}$, we can write $|x|\leq|y|$ if $|x_{k}|\leq|y_{k}|$ for all $1\leq k\leq N$, and $\log|x|=\sum_{k=1}^{N}\log|x_{k}|e_{k}$, suppose that $x_{k}\neq 0$ for all $1\leq k\leq N$. We will call $\\{\mathscr{L}_{\gamma}=(\mathbb{C}^{N},\|\cdot\|_{\gamma}):\gamma\in\mathbb{T}\\}$ a family of compatible Banach lattices, if there is an algebraic basis $(e_{1},\cdots,e_{N})$ of $\mathbb{C}^{N}$ which is simultaneously a lattice- basis of $\mathscr{L}_{\gamma}$ for a.e. $\gamma\in\mathbb{T}$ and such that (20) $\displaystyle 0<\underset{\gamma\in\mathbb{T}}{\text{ess inf }}\|e_{k}\|_{\gamma}\leq\underset{\gamma\in\mathbb{T}}{\text{ess sup }}\|e_{k}\|_{\gamma}<\infty\text{ for all }1\leq k\leq N.$ In the sequel, the notation $\\{\mathscr{L}_{\gamma}=(\mathbb{C}^{N},\|\cdot\|_{\gamma}):\gamma\in\mathbb{T}\\}$ is reserved for a family of compatible Banach lattices with respect to the canonical basis of $\mathbb{C}^{N}$. Complex interpolation at 0 for families of compatible Banach lattices is stable under any rearrangement. The proof of the following proposition is standard. ###### Proposition 4.1. If $\\{\mathscr{L}_{\gamma}=(\mathbb{C}^{N},\|\cdot\|_{\gamma}):\gamma\in\mathbb{T}\\}$ be an interpolation family of compatible Banach lattices, then (21) $\displaystyle\log\|x\|_{\mathscr{L}[0]}=\inf\int\log\|f(\gamma)\|_{\gamma}\,dm(\gamma),$ where the infimum runs over the set of all measurable coordinate bounded functions $f:\mathbb{T}\rightarrow\mathbb{C}^{N}$, i.e., $f_{k}:\mathbb{T}\rightarrow\mathbb{C}$ is bounded for all $1\leq k\leq N$ such that $($ by convention $\log 0:=-\infty$ $)$ $\log|x|\leq\int\log|f(\gamma)|\,dm(\gamma).$ In particular, if $M:\mathbb{T}\rightarrow\mathbb{T}$ is measure preserving and let $\\{\widetilde{\mathscr{L}}_{\gamma}=\mathscr{L}_{M(\gamma)}:\gamma\in\mathbb{T}\\}$, then $Id:\mathscr{L}[0]\rightarrow\widetilde{\mathscr{L}}[0]$ is isometric. ###### Proof. It suffices to show (21). Assume that $x\in\mathbb{C}^{N}$ and $\|x\|_{\mathscr{L}[0]}<\lambda$. Without loss of generality, we can assume $x_{k}\neq 0$ for all $1\leq k\leq N$. By the definition of $\mathscr{L}[0]$ there exists an analytic function $f=(f_{1},\cdots,f_{N}):\mathbb{D}\rightarrow\mathbb{C}^{N}$ such that $f(0)=x\text{ and }\underset{\gamma\in\mathbb{T}}{\text{ess sup }}\|f(\gamma)\|_{\gamma}<\lambda.$ By (20), this implies in particular that $f$ is coordinate bounded. Since $z\mapsto\log|f_{k}(z)|$ is subharmonic, we have $\log|x_{k}|=\log|f_{k}(0)|\leq\int\log|f_{k}(\gamma)|dm(\gamma),\text{ for }1\leq k\leq N.$ Hence $\log|x|\leq\int\log|f(\gamma)|dm(\gamma)$. Obviously, $\int\log\|f(\gamma)\|_{\gamma}dm(\gamma)<\log\lambda$, whence $\inf\int\log\|f(\gamma)\|_{\gamma}\,dm(\gamma)\leq\log\|x\|_{\mathscr{L}[0]}.$ Conversely, assume that $x\in\mathbb{C}^{N}$ and $x_{k}\neq 0$ for all $1\leq k\leq N$ and let $f:\mathbb{D}\rightarrow\mathbb{C}^{N}$ be any coordinate bounded analytic function such that $\log|x|\leq\int\log|f(\gamma)|dm(\gamma)$. Then by (20), $\underset{\gamma\in\mathbb{T}}{\text{ess sup }}\|f(\gamma)\|_{\gamma}<\infty$ and there exists $y\in\mathbb{C}^{N}$ such that (22) $\displaystyle|x|\leq|y|\text{ and }\log|y|=\int\log|f(\gamma)|dm(\gamma).$ Define $u(\gamma):=\log|f(\gamma)|$. By assumption, $x_{k}\neq 0$ and $f_{k}$ is bounded, hence $\log|f_{k}|\in L_{1}(\mathbb{T})$, so we can define the Hilbert transform of $u_{k}$. Let $\tilde{u}(\gamma)$ be the Hilbert transform of $u(\gamma)$ and define $g(\gamma)=e^{u(\gamma)+i\tilde{u}(\gamma)}$. Then $g_{k}(\gamma)=e^{u_{k}(\gamma)+i\tilde{u}_{k}(\gamma)}$ is the boundary value of an outer function, hence $\log|g_{k}(0)|=\int\log|g_{k}(\gamma)|dm(t)=\int u_{k}(\gamma)dm(\gamma)=\log|y_{k}|.$ Thus $|y|=|g(0)|$. By [CCRSW82, Prop. 2.4], we have $\displaystyle\|y\|_{\mathscr{L}[0]}$ $\displaystyle=$ $\displaystyle\|g(0)\|_{\mathscr{L}[0]}\leq\exp\Big{(}\int\log\|g(\gamma)\|_{\gamma}\,dm(\gamma)\Big{)}$ $\displaystyle=$ $\displaystyle\exp\Big{(}\int\log\|f(\gamma)\|_{\gamma}\,dm(t)\Big{)}.$ It is easy to see that $\mathscr{L}[0]$ is a Banach lattice and by (22), $\|x\|_{\mathscr{L}[0]}\leq\|y\|_{\mathscr{L}[0]}.$ Thus $\log\|x\|_{\mathscr{L}[0]}\leq\log\|y\|_{\mathscr{L}[0]}\leq\int\log\|f(\gamma)\|_{\gamma}\,dm(\gamma).$ This proves the converse inequality. ∎ ###### Remark 4.2. The preceding result should be compared with [CCRSW82, Cor. 5.2], where it is shown that $\Big{\\{}L^{p_{\gamma}}(X,\Sigma,\mu):\gamma\in\mathbb{T}\Big{\\}}[z]=L^{p_{z}}(X,\Sigma,\mu),$ where $1/p_{z}=\int(1/p_{\gamma})P_{z}(d\gamma)$. ###### Definition 4.3. Let $\mathscr{L}=(\mathbb{C}^{N},\|\cdot\|_{\mathscr{L}})$ be a symmetric Banach lattices, we define $S_{\mathscr{L}}$ to be the space of $N\times N$ matrices equipped with the norm : $\|A\|_{S_{\mathscr{L}}}=\|(s_{1}(A),\cdots,s_{N}(A))\|_{\mathscr{L}},$ where $s_{1}(A),\cdots,S_{N}(A)$ are singular numbers of the matrix $A$. If the Banach lattices $\mathscr{L}_{\gamma}$ considered above are all symmetric, i.e., for any permutation $\sigma\in\mathfrak{S}_{N}$ and any $x_{k}\in\mathbb{C}$, $\|\sum_{k=1}^{N}x_{k}e_{\sigma(k)}\|_{\mathscr{L}_{\gamma}}=\|\sum_{k=1}^{N}x_{k}e_{k}\|_{\mathscr{L}_{\gamma}},$ then to each $\mathscr{L}_{\gamma}$ is associated a Schatten type space $S_{\mathscr{L}_{\gamma}}=(M_{N},\|\cdot\|_{S_{\mathscr{L}_{\gamma}}})$. The following proposition is classical (c.f. [Pie71]), we omit its proof. ###### Proposition 4.4. Let $\\{\mathscr{L}_{\gamma}=(\mathbb{C}^{N},\|\cdot\|_{\gamma}):\gamma\in\mathbb{T}\\}$ be an interpolation family of compatible symmetric Banach lattices and consider the associated interpolation family: $\\{S_{\mathscr{L}_{\gamma}}=(M_{N},\|\cdot\|_{S_{\mathscr{L}_{\gamma}}}):\gamma\in\mathbb{T}\\}.$ Then for any $z\in\mathbb{D}$, we have the following isometric identification $Id:S_{\mathscr{L}[z]}\rightarrow\\{S_{\mathscr{L}_{\gamma}}\\}[z].$ Combining Propositions 4.1 and 4.4, we have the following: ###### Corollary 4.5. Consider the interpolation family $\\{S_{\mathscr{L}_{\gamma}}:\gamma\in\mathbb{T}\\}.$ Let $M:\mathbb{T}\rightarrow\mathbb{T}$ be measure preserving and let $\\{\widetilde{S}_{\mathscr{L}_{\gamma}}=S_{\mathscr{L}_{M(\gamma)}}:\gamma\in\mathbb{T}\\}$, then $Id:\\{S_{\mathscr{L}_{\gamma}}\\}[0]\rightarrow\\{\widetilde{S}_{\mathscr{L}_{\gamma}}\\}[0]$ is isometric. The following proposition is related to our problem, see the discussion after it. ###### Proposition 4.6. Let $\\{E_{\gamma}:\gamma\in\mathbb{T}\\}$ be an interpolation family of $N$-dimensional spaces such that there exist $c,C>0$, for any $x\in\mathbb{C}^{N}$, $c\cdot\min_{k}|x_{k}|\leq\|x\|_{\gamma}\leq C\cdot\max_{k}|x_{k}|\text{ for }a.e.\,\gamma\in\mathbb{T}.$ Assume that $Id:E_{\bar{\gamma}}\rightarrow\overline{E_{\gamma}}^{*}$ is isometric for $a.e.\,\gamma\in\mathbb{T}$. Then $E[\zeta]=\ell_{2}^{N},\text{ for any }\zeta\in(-1,1).$ ###### Proof. Fix $\zeta\in(-1,1)$. For any $x\in\mathbb{C}^{N}$. Given any analytic function $f:\mathbb{D}\rightarrow\mathbb{C}^{N}$ such that $f(\zeta)=x$ and $\|f\|_{H^{\infty}(\\{E_{\gamma}\\})}<\infty$. Since $\zeta=\bar{\zeta}$, we have $f(\zeta)=f(\bar{\zeta})=x$. The assumption on the interpolation family implies that the function $z\mapsto\langle f(z),f(\bar{z})\rangle$ is bounded analytic, hence $\displaystyle\log\|x\|_{\ell_{2}^{N}}^{2}$ $\displaystyle=$ $\displaystyle\log|\langle f(\zeta),f(\bar{\zeta})\rangle|\leq\int\log|\langle f(\gamma),f(\bar{\gamma})\rangle|P_{\zeta}(d\gamma)$ $\displaystyle\leq$ $\displaystyle\int\log\Big{(}\|f(\gamma)\|_{E_{\gamma}}\|f(\bar{\gamma})\|_{\overline{E_{\gamma}^{*}}}\Big{)}P_{\zeta}(d\gamma)$ $\displaystyle=$ $\displaystyle\int\log\Big{(}\|f(\gamma)\|_{E_{\gamma}}\|f(\bar{\gamma})\|_{E_{\bar{\gamma}}}\Big{)}P_{\zeta}(d\gamma)$ $\displaystyle\leq$ $\displaystyle\log\Big{(}\|f\|_{H^{\infty}(\\{E_{\gamma}\\})}^{2}\Big{)}.$ Hence $\|x\|_{\ell_{2}^{N}}\leq\|f\|_{H^{\infty}(\\{E_{\gamma}\\})}.$ It follows that $\|x\|_{\ell_{2}^{N}}\leq\|x\|_{E[\zeta]}.$ By duality, this inequality also holds in the dual case, hence we must have $\|x\|_{\ell_{2}^{N}}=\|x\|_{E[\zeta]}.$ ∎ Let $Q_{j}$ be the open arc of $\mathbb{T}$ in the $j$-th quadrant, i.e., $Q_{j}=\Big{\\{}e^{i\theta}:\frac{(k-1)\pi}{2}<\theta<\frac{k\pi}{2}\Big{\\}}\text{ for }1\leq j\leq 4.$ Suppose that $X$ and $Y$ are $N$-dimensional, define two interpolation families $\\{Z_{\gamma}:\gamma\in\mathbb{T}\\}$ and $\\{\widetilde{Z}_{\gamma}:\gamma\in\mathbb{T}\\}$ by letting $Z_{\gamma}=\left\\{\begin{array}[]{cl}X,&\gamma\in Q_{1}\\\ Y,&\gamma\in Q_{2}\\\ \overline{Y^{*}},&\gamma\in Q_{3}\\\ \overline{X^{*}},&\gamma\in Q_{4}\end{array},\right.\quad\widetilde{Z}_{\gamma}=\left\\{\begin{array}[]{cl}X,&\gamma\in Q_{1}\\\ Y,&\gamma\in Q_{2}\\\ \overline{X^{*}},&\gamma\in Q_{3}\\\ \overline{Y^{*}},&\gamma\in Q_{4}\end{array}.\right.$ By Proposition 4.6, $Z[0]=\ell_{2}^{N}$. For suitable choices of $X$ and $Y$, we could have $\widetilde{Z}[0]\neq\ell_{2}^{N}$. More precisely, we have the following proposition. ###### Proposition 4.7. For any $\alpha\in\mathbb{T}$, define a $2\times 2$ selfadjoint matrix $\delta_{\alpha}:=\left[\begin{array}[]{cc}0&\overline{\alpha}\\\ \alpha&0\end{array}\right].$ For $0<\varepsilon<1$, let $w^{\alpha,\varepsilon}=(I+\varepsilon\delta_{\alpha})^{1/2}$ and $X=\ell^{2}_{w^{\alpha,\varepsilon}}$. Consider the weight $W^{\alpha,\varepsilon}$ and the interpolation family generated by it as follows: $W^{\alpha,\varepsilon}(\gamma)=\left\\{\begin{array}[]{cl}I+\varepsilon\delta_{\alpha},&\gamma\in Q_{1}\\\ (I+\varepsilon\overline{\delta_{\alpha}})^{-1},&\gamma\in Q_{2}\\\ (I+\varepsilon\delta_{\alpha})^{-1},&\gamma\in Q_{3}\\\ I+\varepsilon\overline{\delta_{\alpha}},&\gamma\in Q_{4}\end{array};\right.\quad\widetilde{Z^{\alpha,\varepsilon}_{\gamma}}=\left\\{\begin{array}[]{cl}X,&\gamma\in Q_{1}\\\ X^{*},&\gamma\in Q_{2}\\\ \overline{X}^{*},&\gamma\in Q_{3}\\\ \overline{X},&\gamma\in Q_{4}\end{array}.\right.$ There exists $\alpha\in\mathbb{T}$ and $0<\varepsilon_{0}<1$, such that if $0<\varepsilon<\varepsilon_{0}$ then $\widetilde{Z^{\alpha,\varepsilon}}[0]\neq\ell_{2}^{N}.$ ###### Proof. We have $W^{\alpha,\varepsilon}(\gamma)=\left\\{\begin{array}[]{cl}I+\varepsilon\delta_{\alpha},&\gamma\in Q_{1}\\\ I-\varepsilon\overline{\delta_{\alpha}}+\varepsilon^{2}I+\mathcal{O}(\varepsilon^{3}),&\gamma\in Q_{2}\\\ I-\varepsilon\delta_{\alpha}+\varepsilon^{2}I+\mathcal{O}(\varepsilon^{3}),&\gamma\in Q_{3}\\\ I+\varepsilon\overline{\delta_{\alpha}},&\gamma\in Q_{4}\end{array}.\right.$ Applying a slightly modified variant of the approximation equation (10), we have $\displaystyle|F_{W^{\alpha,\varepsilon}}(0)|^{2}$ $\displaystyle=$ $\displaystyle I+\frac{\varepsilon^{2}I}{2}-\varepsilon^{2}\left[\begin{array}[]{cc}\|P_{+}(h_{\alpha})\|_{2}^{2}&0\\\ 0&\|P_{+}(\overline{h_{\alpha}})\|_{2}^{2}\end{array}\right]+\mathcal{O}(\varepsilon^{3});$ where $h_{\alpha}=\alpha 1_{Q_{1}}-\overline{\alpha}1_{Q_{2}}-\alpha 1_{Q_{3}}+\overline{\alpha}1_{Q_{4}}.$ Assume by contradiction that $\widetilde{Z^{\alpha,\varepsilon}}[0]=\ell_{2}^{N}$ for any $\alpha\in\mathbb{T}$ and small $\varepsilon$. Then we must have $\|P_{+}(h_{\alpha})\|_{2}^{2}=\frac{1}{2}$ for any $\alpha\in\mathbb{T}$. In particular, $\alpha\mapsto\|P_{+}(h_{\alpha})\|_{2}^{2}\text{ is a constant function on $\mathbb{T}$}.$ It follows that the following function is a constant function: $\displaystyle C(\alpha)$ $\displaystyle=$ $\displaystyle\Re\langle\alpha P_{+}(1_{Q_{1}}),-\overline{\alpha}P_{+}(1_{Q_{2}})\rangle+\Re\langle\alpha P_{+}(1_{Q_{1}}),\overline{\alpha}P_{+}(1_{Q_{4}})\rangle$ $\displaystyle+$ $\displaystyle\Re\langle-\overline{\alpha}P_{+}(1_{Q_{2}}),-\alpha P_{+}(1_{Q_{3}})\rangle+\Re\langle-\alpha P_{+}(1_{Q_{3}}),\overline{\alpha}P_{+}(1_{Q_{4}})\rangle.$ Clearly, by translation invariance of Haar measure, we have $\langle P_{+}(1_{Q_{1}}),P_{+}(1_{Q_{2}})\rangle=\langle P_{+}(1_{Q_{2}}),P_{+}(1_{Q_{3}})\rangle=\langle P_{+}(1_{Q_{3}}),P_{+}(1_{Q_{4}})\rangle,$ $\langle P_{+}(1_{Q_{1}}),P_{+}(1_{Q_{4}})=\langle P_{+}(1_{Q_{2}}),P_{+}(1_{Q_{1}})\rangle,$ hence $C(\alpha)=-\Re\Big{\\{}2\alpha^{2}\Big{(}\langle P_{+}(1_{Q_{1}}),P_{+}(1_{Q_{2}})\rangle-\overline{\langle P_{+}(1_{Q_{1}}),P_{+}(1_{Q_{2}})\rangle}\Big{)}\Big{\\}}.$ Then $\alpha\mapsto C(\alpha)$ is constant function if and only if $\langle P_{+}(1_{Q_{1}}),P_{+}(1_{Q_{2}})\rangle-\overline{\langle P_{+}(1_{Q_{1}}),P_{+}(1_{Q_{2}})\rangle}=0,$ which is equivalent to (24) $\displaystyle\Im\Big{(}\langle P_{+}(1_{Q_{1}}),P_{+}(1_{Q_{2}})\rangle\Big{)}=0.$ By a similar computation as in the proof of inequality (18), we have $\Im\Big{(}\langle P_{+}(1_{Q_{1}}),P_{+}(1_{Q_{2}})\rangle\Big{)}=\frac{4}{\pi^{2}}\sum_{k=0}^{\infty}\frac{2k+1}{(4k+1)^{2}(4k+3)^{2}},$ this contradicts (24), and hence completes the proof. ∎ ## 5\. Appendix Here we reformulate the argument of [CCRSW82] to emphasize the crucial role played by a certain inner function associated to the measurable partition of the unit circle in proving Theorem 0.1. It follows from the preceding that the analogous inner function for a measurable partition into 3 subsets does not exist. ###### Lemma 5.1. Suppose that $\Gamma_{0}\cup\Gamma_{1}$ is a measurable partition of $\mathbb{T}$. Then there exists an inner function $\varphi$ such that $\varphi(0)=0$. And $\varphi(\Gamma_{0})\cup\varphi(\Gamma_{1})$ is a partition of $\mathbb{T}$ into two disjoint arcs (up to negligible sets). Moreover, (25) $\displaystyle m(\varphi(\Gamma_{0}))=m(\Gamma_{0})\textit{ and }m(\varphi(\Gamma_{1}))=m(\Gamma_{1}).$ ###### Proof. Since any origin-preserving inner function $\varphi$ preserves the measure $m$ on $\mathbb{T}$ (indeed note $\int_{\mathbb{T}}\varphi(\gamma)^{n}dm(\gamma)=\int_{\mathbb{T}}\gamma^{n}dm(\gamma)\,\forall n\in\mathbb{Z}$), it suffices to show the existence of an inner function satisfying the partition condition. Let $v=1_{\Gamma_{1}}:\mathbb{T}\rightarrow\mathbb{R}$ be the characteristic function of $\Gamma_{1}$, its harmonic extension on $\mathbb{D}$ will also be denoted by $v$. Note that $0<v(z)<1$ for any $z\in\mathbb{D}$. Let $\tilde{v}$ be the harmonic conjugate of $v$ and define $\psi=v+i\tilde{v}$ on $\mathbb{D}$. Then $\psi$ is an analytic map from $\mathbb{D}$ to $\mathcal{S}:=\\{z\in\mathbb{C}:0<\Re(z)<1\\}$ and has non-tangential limit $\psi(\gamma)=v(\gamma)+i\tilde{v}(\gamma)$, a.e. $\gamma\in\mathbb{T}$. Thus $\psi(\Gamma_{0})\subset\partial_{0}\text{ and }\psi(\Gamma_{1})\subset\partial_{1},$ where $\partial_{0}=\\{z\in\mathbb{C}:\Re(z)=0\\}$ and $\partial_{1}=\\{z\in\mathbb{C}:\Re(z)=1\\}$. Let $\tau:\mathcal{S}\rightarrow\mathbb{D}$ be a Riemann conformal mapping such that $\tau(\psi(0))=0$. Note that $\tau(\partial_{0})$ and $\tau(\partial_{1})$ are disjoint open arcs of $\mathbb{T}$. Define $\varphi=\tau\circ\psi:\mathbb{D}\rightarrow\mathbb{D}.$ Then $\varphi$ is an inner function such that $\varphi(0)=0$. We have $\varphi(\Gamma_{0})\subset\tau(\partial_{0})\text{ and }\varphi(\Gamma_{1})\subset\tau(\partial_{1}).$ Hence $m(\varphi(\Gamma_{0}))\leq m(\tau(\partial_{0}))$ and $m(\varphi(\Gamma_{1}))\leq m(\tau(\partial_{1}))$. Since $\varphi$ preserves the measure $m$, we have $1=m(\varphi(\Gamma_{0}))+m(\varphi(\Gamma_{1}))\leq m(\tau(\partial_{0}))+m(\tau(\partial_{1}))=1.$ Thus up to negligible sets, we have $\varphi(\Gamma_{0})=\tau(\partial_{0})\text{ and }\varphi(\Gamma_{1})=\tau(\partial_{1}).$ ∎ ###### Proof of Theorem 0.1. Suppose $\Gamma_{0}\cup\Gamma_{1}$ is a measurable partition of the circle and let the interpolation family $\\{X_{\gamma}:\gamma\in\mathbb{T}\\}$ be such that $X_{\gamma}=Z_{0}\text{ for all }\gamma\in\Gamma_{0},\,\,X_{\gamma}=Z_{1}\text{ for all }\gamma\in\Gamma_{1}.$ By Lemma 5.1, we can find an inner function $\varphi$ such that $\varphi(0)=0$ and $\varphi(\Gamma_{0})=J_{0},\,\,\varphi(\Gamma_{1})=J_{1}$ up to negligible sets, where $J_{0}\cup J_{1}$ is a partition of the circle into disjoint arcs. Consider the interpolation family of spaces $\\{\widetilde{X}_{\gamma}:\gamma\in\mathbb{T}\\}$ such that $\widetilde{X}_{\gamma}=Z_{0}\text{ for all }\gamma\in J_{0},\,\,\widetilde{X}_{\gamma}=Z_{1}\text{ for all }\gamma\in J_{1}.$ Then by a conformal mapping, it is easy to see (26) $\displaystyle\widetilde{X}[0]=(Z_{0},Z_{1})_{\theta},\,\,\theta=m(J_{1})=m(\Gamma_{1}).$ We have $\widetilde{X}_{\varphi(\gamma)}=X_{\gamma}$ for a.e. $\gamma\in\mathbb{T}$. If $x\in\mathbb{C}^{N}$ is such that $\|x\|_{\widetilde{X}[0]}<1$, then by definition, there exists an analytic function $f:\mathbb{T}\rightarrow\mathbb{C}^{N}$ such that $f(0)=x$ and $\underset{t\in\mathbb{T}}{\text{ess sup }}\|f(\gamma)\|_{\widetilde{X}_{\gamma}}<1$. Thus $\underset{\gamma\in\mathbb{T}}{\text{ess sup }}\|(f\circ\varphi)(\gamma)\|_{X_{t}}=\underset{\gamma\in\mathbb{T}}{\text{ess sup }}\|(f\circ\varphi)(\gamma)\|_{\widetilde{X}_{\varphi(\gamma)}}=\underset{\gamma\in\mathbb{T}}{\text{ess sup }}\|f(\gamma)\|_{\widetilde{X}_{\gamma}}<1.$ Since $(f\circ\varphi)(0)=f(0)=x$, the above inequality shows that $\|x\|_{X[0]}<1.$ By homogeneity, $\|x\|_{X[0]}\leq\|x\|_{\widetilde{X}[0]}.$ But if we consider the dual of the above interpolation family, then we get the same inequality, hence we must have (27) $\displaystyle\|x\|_{X[0]}=\|x\|_{\widetilde{X}[0]}.$ By (27) and (26), we have $X[0]=(Z_{0},Z_{1})_{\theta},\,\,\theta=m(\Gamma_{1}).$ ∎ By definition, a space is arcwise $\theta$-Hilbertian if it can be obtained by complex interpolation of a family of spaces on the circle such that on an arc, the spaces are Hilbertian. ###### Remark 5.2 (Communicated by Gilles Pisier). The preceding argument also shows that, as conjectured in [Pis10], of which we use the terminology, any $\theta$-Hilbertian Banach space is automatically arcwise $\theta$-Hilbertian, at least under suitable assumptions on the dual spaces, that are automatic in the finite dimensional case. We merely indicate the argument in the latter case. Consider a measurable partition $\Gamma_{0}\cup\Gamma_{1}$ of the unit circle with $m(\Gamma_{1})=\theta$ and a family of $n$-dimensional spaces $\\{E_{\gamma}\mid\gamma\in\partial D\\}$ such that $E_{\gamma}=\ell_{2}^{n}$ for any $\gamma\in\Gamma_{1}$ but $E_{\gamma}$ is arbitrary for $\gamma\in\Gamma_{0}$. If $\varphi$ is the inner function appearing in Lemma 5.1, and if we set $F_{\gamma}=E_{\varphi(\gamma)}$ then the identity map $Id:E[0]\to F[0]$ is clearly contractive and $F[0]$ is arcwise $\theta$-Hilbertian. Applying this to the dual family $\\{E_{\gamma}^{*}\\}$ in place of $\\{E_{\gamma}\\}$ and using the duality theorem from [CCRSW82, Th. 2.12 ]) we find that $Id:\ {E[0]}^{*}\to{F[0]}^{*}$ is also contractive, and hence is isometric. This shows that $E[0]$ is arcwise $\theta$-Hilbertian. ## Acknowledgements The author is grateful to Gilles Pisier for stimulating discussions and valuable suggestions, he would like to thank the referee for careful reading of the manuscript. The author was partially supported by the ANR grant 2011-BS01-00801 and the A*MIDEX grant. ## References * [CCRSW79] R. R. Coifman, M. Cwikel, R. Rochberg, Y. Sagher, and G. Weiss, _Complex interpolation for families of Banach spaces_ , Harmonic analysis in Euclidean spaces (Proc. Sympos. Pure Math., Williams Coll., Williamstown, Mass., 1978), Part 2, Proc. Sympos. Pure Math., XXXV, Part, Amer. Math. Soc., Providence, R.I., 1979, pp. 269–282. MR 545314 (81a:46082) * [CCRSW82] R. R. Coifman, M. Cwikel, R. Rochberg, Y. Sagher, and G. Weiss, _A theory of complex interpolation for families of Banach spaces_ , Adv. in Math. 43 (1982), no. 3, 203–229. MR 648799 (83j:46084) * [Hel64] Henry Helson, _Lectures on invariant subspaces_ , Academic Press, New York (1964). * [HL58] Henry Helson and David Lowdenslager, _Prediction theory and Fourier series in several variables_ , Acta Math. 99 (1958), 165–202. MR 0097688 (20 #4155) * [HL61] by same author, _Prediction theory and Fourier series in several variables. II_ , Acta Math. 106 (1961), 175–213. MR 0176287 (31 #562) * [Pie71] Albrecht Pietsch, _Interpolationsfunktoren, Folgenideale und Operatorenideale_ , Czechoslovak Math. J. 21(96) (1971), 644–652. MR 0293410 (45 #2487) * [Pis10] Gilles Pisier, _Complex interpolation between Hilbert, Banach and operator spaces_ , Mem. Amer. Math. Soc. 208 (2010), no. 978, vi+78. MR 2732331 (2011k:46024) Yanqi QIU
arxiv-papers
2013-04-04T15:39:42
2024-09-04T02:49:43.883985
{ "license": "Public Domain", "authors": "Yanqi Qiu", "submitter": "Yanqi Qiu", "url": "https://arxiv.org/abs/1304.1403" }
1304.1411
# RITA: An Index-Tuning Advisor for Replicated Databases Quoc Trung Tran UC Santa Cruz [email protected] Ivo Jimenez UC Santa Cruz [email protected] Rui Wang UC Santa Cruz [email protected] Neoklis Polyzotis UC Santa Cruz [email protected] Anastasia Ailamaki École Polytechnique F́edérale de Lausanne [email protected] ###### Abstract Given a replicated database, a divergent design tunes the indexes in each replica differently in order to specialize it for a specific subset of the workload. This specialization brings significant performance gains compared to the common practice of having the same indexes in all replicas, but requires the development of new tuning tools for database administrators. In this paper we introduce RITA (Replication-aware Index Tuning Advisor), a novel divergent- tuning advisor that offers several essential features not found in existing tools: it generates robust divergent designs that allow the system to adapt gracefully to replica failures; it computes designs that spread the load evenly among specialized replicas, both during normal operation and when replicas fail; it monitors the workload online in order to detect changes that require a recomputation of the divergent design; and, it offers suggestions to elastically reconfigure the system (by adding/removing replicas or adding/dropping indexes) to respond to workload changes. The key technical innovation behind RITA is showing that the problem of selecting an optimal design can be formulated as a Binary Integer Program (BIP). The BIP has a relatively small number of variables, which makes it feasible to solve it efficiently using any off-the-shelf linear-optimization software. Experimental results demonstrate that RITA computes better divergent designs compared to existing tools, offers more features, and has fast execution times. ## 1 Introduction Database replication is used heavily in distributed systems and database-as-a- service platforms (e.g., Amazon’s Relational Database Service [1] or Microsoft SQL Azure [2]), to increase availability and to improve performance through parallel processing. The database is typically replicated across several nodes, and replicas are kept synchronized (eagerly or lazily) when updates occur so that incoming queries can be evaluated on any replica. _Divergent-design tuning_ [5] represents a new paradigm to tune workload performance over a replicated database. A divergent design leverages replication as follows: it specializes each replica to a specific subset of the workload by installing indexes that are particularly beneficial for the corresponding workload statements. Thus, queries can be evaluated more efficiently by being routed to a specialized replica. As shown in a previous study, a divergent design brings significant performance improvements when compared to a uniform design that uses the same indexes in all replicas: queries are executed faster due to replica specialization (up to 2x improvement on standard benchmarks), but updates as well become significantly more efficient (more than 2x improvement) since fewer indexes need to be installed per replica. To reap the benefits of divergent designs in practice, DB administrators need new index-tuning advisors that are replication-aware. The original study [5] introduces an advisor called DivgDesign, which creates specialized designs per replica but has severe limitations that restrict its usefulness in practice. Firstly, DivgDesign assumes that replicas are always operational. Replica failures, however, are common in real systems, and the resulting workload redistribution may cause queries to be routed to low-performing replicas, with predictably negative effects on the overall system performance. An effective advisor should generate robust divergent designs that allow the system to adapt gracefully to replica failures. Secondly, DivgDesign ignores the effect of specialization to each replica’s load, and can therefore incur a skewed load distribution in the system. Our experiments suggest that DivgDesign can cause certain replicas to be twice as loaded as others. A good advisor should take the replica load into account, and generate divergent designs that provide the benefits of specialization while maintaining a balanced load distribution. Lastly, DivgDesign targets a static system where the database workload and the number of replicas are assumed to remain unchanged. A replicated database system, however, is typically volatile: the workload may change over time, and in response the DBA may wish to elastically reconfigure the system by expanding or shrinking the set of replicas and by incrementally adding or dropping indexes at different replicas. A replication-aware advisor should alert the DBA when a workload change necessitates retuning the divergent design, and also help the DBA evaluate options for changing the design. The limitations of DivgDesign stem from the fact that it internally employs a conventional index-tuning advisor, e.g., DB2’s db2advis or the index advisor of MS SQL Server, which is not suitable for modeling and solving the aforementioned issues. Modifying DivgDesign to address its limitations would require a non-trivial redesign of the advisor. A more general question is whether it is even feasible to reap the performance benefits demonstrated in [5] and at the same time maintain a balanced load and the ability to adapt gracefully to failures. Our work shows that this is indeed feasible but requires the development of a new type of index-tuning advisor that is replication-aware. Contributions. In this paper, we introduce a novel index advisor termed RITA (Replication-aware Index Tuning Advisor) that provides DBAs with a powerful tool for divergent index tuning. Instead of relying on conventional techniques for index tuning, RITA is a new type of index advisor that is designed from the ground up to take into account replication and the unique characteristics of divergent designs. RITA’s foundation is a novel reduction of the problem of divergent design tuning to Binary Integer Programming (BIP). The BIP formulation allows RITA to employ an off-the-shelf linear optimization solver to compute near-optimal designs that satisfy complex constraints (e.g., even load distribution or robustness to failures). Compared to DivgDesign, RITA offers richer tuning functionality and is able to compute divergent designs that result in significantly better performance. More concretely, the contributions of our work can be summarized as follows: (1.) To make divergent designs suitable for the characteristics of real-world systems, we introduce a generalized version of the problem of divergent design tuning that has two important features: it takes into account the probability of replica failures and their effect on workload performance; and, it allows for an expanded class of constraints on the computed divergent design and in particular constraints on global system-properties, e.g., maintaining an even load distribution (Section 3). (2.) We prove that, under realistic assumptions about the underlying system, the generalized tuning problem can be formulated as a compact Binary Integer Program (BIP), i.e., a linear-optimization problem with a relatively small number of binary variables. The implication is that we can use an off-the- shelf solver to efficiently compute a (near-)optimal divergent design that also satisfies any given constraints (Section 4). (3.) We propose RITA as a new index-tuning tool that leverages the previous theoretical result to implement a unique set of features. RITA allows the DBA to initially tune the divergent design of the system using a training workload. Subsequently, RITA continuously analyzes the incoming workload and alerts the DBA if a retuning of the divergent design could lead to substantial performance improvements. The DBA can then examine how to elastically adapt the divergent design to the changed workload, e.g., by expanding/shrinking the set of replicas, incrementally adding/removing indexes, or changing how queries are distributed across replicas. Internally, RITA translates the DBA’s requests to BIPs that are solved efficiently by a linear-optimization solver. In fact, RITA often returns its answers in seconds, thus facilitating an exploratory approach to index tuning (Section 5). (4.) We perform an extensive experimental study to validate the effectiveness of RITA as a tuning advisor. The results show that the designs computed by RITA can improve system performance by up to a factor of four compared to the standard uniform design that places the same indexes on all replicas. Moreover, RITA outperforms DivgDesign by up to a factor of three in terms of the performance of the computed divergent designs, while supporting a larger class of constraints (Section 6). Overall, RITA provides a positive answer to our previously stated question: a divergent design can bring significant performance benefits while maintaining important properties such as a balanced load distribution and tolerance to failures. Consequently, divergent design advisors can be practically employed on real systems and guide further development of tuning tools. The underlying theoretical results (problem definition and BIP formulation) are also significant, as they expand on the previous work on single-system tuning [6] and demonstrate a wider applicability of Binary Integer Programming to index- tuning problems. ## 2 Related work Index tuning. There has been a long line of research studies on the problem of tuning the index configuration of a single DBMS (e.g., [3, 6, 18]). These methods analyze a representative workload and recommend an index configuration that optimizes the evaluation of the workload according to the optimizer’s estimates. A recent study [6] has introduced the COPHY index advisor that outperforms state-of-the-art commercial and research techniques by up to an order of magnitude in terms of both solution quality and total execution time. Both RITA and COPHY leverage the same underlying principle of linear composability, which we will define and discuss extensively in Section 4.1, in order to cast the index-tuning problem as a compact, efficiently-solvable Binary Integer Program (BIP). However, COPHY targets the conventional index- tuning problem where the goal is to compute a single index configuration for a single-node system. This problem scenario is much simpler than what we consider in our work, where there are several nodes in the system, each can carry a different index configuration, queries have to be distributed in a balanced fashion and the system must recover gracefully from failures. Leveraging the principle of linear composability in this generalized problem scenario is one of the key contributions of our work. Physical data organization on replicas. Previous works also considered the idea of diverging the physical organization of replicated data. The technique of Fractured Mirrors [12] builds a mirrored database that stores its base data in a different physical organizations on disk (specifically, in a row-based and a column-based organization). Similarly, Distorted Mirrors [14] presents logically but not physically identical mirror disks for replicated data. However, they do not consider how to tune the indexes for each mirror. There are recent works [9, 8] that explore different physical designs for different replicas in Hadoop context. Specifically, TROJAN HDFS [9] organizes each physical replica of an HDFS block in a different data layout, where each data layout corresponds to a different vertical partitioning. Likewise, HAIL [8] organizes each physical replica of an HDFS block in a different sorted order, which essentially amounts to exactly one clustered index per replica. Our work differs from these works in several aspects. First, these works do not consider the problem of spreading the load evenly among specialized replicas that we are considering. Second, performance is very sensitive to failures, because the tuning options considered by these papers lead to replicas that are highly specialized for subsets of the workload. When a replica fails, the corresponding queries will be rerouted to replicas with little provision to handle the rerouted workload, and hence performance may suffer. In contrast, we focus on divergent designs that directly take into account the possibility of replicas failing, thus offering more stable performance when one or more replicas become unavailable. Third, [8] creates one index per replica which restricts the extent to which we can tune each replica to the workload. Our methods do not have any such built-in limitations and are only restricted by configurable constraints on the materialized indexes (e.g., total space consumption, or total maintenance cost). Fourth, our work can return a set of possible designs that represent trade-off points within a multi-dimensional space, e.g., between workload evaluation cost and design-materialization cost. These works do not support this functionality. The original study on divergent-design tuning [5] introduced the DivgDesign advisor which is the direct competitor to our proposed RITA advisor. However, as we discussed in Section 1, DivgDesign is fundamentally limited by the functionality of the underlying single-system advisor, and cannot support many essential tuning functionalities as RITA. ## 3 Divergent Design Tuning: Problem Statement In this section, we formalize the problem of divergent design tuning. The problem statement borrows several concepts from the original problem statement in [5] but also provides a non-trivial generalization. A comparison to the original study appears at the end of the section. ### 3.1 Basic Definitions We consider a database comprising tables $T_{1},\dots,T_{n}$. An _index configuration_ $X$ is a set of indexes defined over the database tables. We assume that $X$ is a subset of a universe of candidate indexes ${\cal S}={\cal S}_{1}\ \cup\ \cdots\ \cup\ {\cal S}_{n}$, where ${\cal S}_{i}$ represents the set of candidate indexes on table $T_{i}$. Each ${\cal S}_{i}$ represents a very large set of indexes and can be derived manually by the DBA or by mining the query logs. We do not place any limitations on the indexes regarding their type or the type or count of attributes that they cover, except that each index in $X$ is defined on exactly one table (i.e., no join indexes). We use ${\mathit{cost}}(q,X)$ to denote the cost of evaluating query $q$ assuming that $X$ is materialized. The cost function can be evaluated efficiently in modern systems (i.e., without materializing $X$) using a _what- if optimizer_ [4]. We define ${\mathit{cost}}(u,X)$ similarly for an update statement $u$, except that in this case we also consider the overhead of maintaining the indexes in $X$ due to the update. Following common practice [13, 6], we break the execution of $u$ into two orthogonal components: (1) a query shell $q_{sel}$ that selects the tuples to be updated, and (2) an update shell that performs the actual update on base tables and also updates any affected materialized indexes. Hence, the total cost of an update statement can be expressed as $cost(u,X)=cost(q_{sel},X)+\sum_{a\in X}ucost(u,a)+c_{u}$, where $ucost(u,a)$ is the cost to update index $a$ with the effects of the update and can be estimated again using the what-if optimizer. The constant $c_{u}$ is simply the cost to update the base data which does not depend on $X$. We consider a database that is fully replicated in $N$ nodes, i.e., each node $i\in[1,N]$ holds a full copy of the database. The replicas are kept synchronized by forwarding each database update to all replicas (lazily or eagerly). At the same time, a query can be evaluated by any replica. Since we are dealing with a multi-node system, we have to take into account the possibility of replicas failing. We use $\alpha$ to denote the probability of at least one replica failing. Setting this parameter can be done once in the beginning to the best of the DBA’s ability and then it can be updated with easy statistics as the system is used (you adjust it based on the failure rate you see). To simplify further notation, we will assume that at most one replica can fail at any point in time. The extension to multiple replicas failing together is straightforward for our problem. We define $W=Q\cup U$ as a workload comprising a set $Q$ of query statements and a set $U$ of update statements. Workload $W$ serves as the representative workload for tuning the system. As is typical in these cases, we also define a weight function $f:W\rightarrow\Re$ such that $f(x)$ corresponds to the importance of query or update statement $x$ in $W$. The input workload and associated weights can be hand-crafted by the DBA or they can be obtained automatically, e.g., by analyzing the query logs of the database system. ### 3.2 Problem Statement At a high level, a divergent design allows each replica to have a different index configuration, tailored to a particular subset of the workload. To evaluate the query workload $Q$, an ideal strategy would route each $q\in Q$ to the replica that minimizes the execution cost for $q$. However, this ideal routing may not be feasible for several reasons, e.g., the replica may not be reachable or may be overloaded. Hence, the idea is to have several low-cost replicas for $q$, so as to provide some flexibility for query evaluation. For this purpose, we introduce a parameter $m\in[1,N]$, which we term routing multiplicity factor. Informally, for every query $q\in Q$, a divergent design specifies a set of $m$ low-cost replicas that $q$ can be routed to. The value of $m$ is assumed to be set by the administrator who is responsible for tuning the system: $m=1$ leads to a design that favors specialization; $m=N$ provides for maximum flexibility; $1<m<N$ achieves some trade-off between the two extremes. Formally, we define a divergent design as a pair $(\mathbf{I},\mathbf{h})$. The first component $\mathbf{I}=(\mathit{I}_{1},\dots,\mathit{I}_{N})$ is an $N$-tuple, where $I_{r}$ is the index configuration of replica $r\in[1,N]$. The second component $\mathbf{h}=(\mathit{h}_{0},\mathit{h}_{1},\cdots,\mathit{h}_{N})$ is a $(N+1)$-tuple of routing functions. Specifically, $\mathit{h}_{0}()$ is a function over queries such that $\mathit{h}_{0}(q)$ specifies the set of $m$ replicas to which $q$ can be routed when all replicas are operational (i.e., there are no failures). Intuitively, $\mathit{h}_{0}(q)$ indicates the replicas that can evaluate $q$ at low cost while respecting other constraints (e.g., bounding load skew among replicas, which we discus later), and is meant to serve as a hint to the runtime query scheduler. Therefore, a key requirement is that $\mathit{h}_{0}()$ can be evaluated on any query $q$ and not just the queries in the training workload. The remaining functions $\mathit{h}_{1},\dots,\mathit{h}_{N}$ have a similar functionality but cover the case when replicas fail: $\mathit{h}_{j}()$, for $j\in[1,N]$, specifies how to route each query when replica $j$ has failed and is not reachable. Notice that in this case there may be fewer than $m$ replicas in $\mathit{h}_{j}(q)$ for any $q\in Q$ if the DBA has originally specified $m=N$. In order to quantify the goodness of a divergent design, we first use a metric that captures the performance of the workload under the normal operation when no running replica fails as follows. $\displaystyle\mathit{TotalCost}(\mathbf{I},\mathbf{h})$ $\displaystyle=$ $\displaystyle\sum_{q\in Q}\sum_{r\in\mathit{h}_{0}(q)}\frac{f(q)}{m}{\mathit{cost}}(q,\mathit{I}_{r})+$ $\displaystyle\sum_{u\in U}\sum_{i\in[1,N]}f(u){\mathit{cost}}(u,\mathit{I}_{i})$ The second term simply captures the cost to propagate each update $u\in U$ to each replica in the system. The first summation captures the cost to evaluate the query workload $Q$. We assume that $q$ is routed uniformly among its $m$ replicas in $\mathit{h}_{0}(q)$, and hence the weight of $q$ is scaled by $1/m$ for each replica. The intuition behind the $\mathit{TotalCost}(\mathbf{I},\mathbf{h})$ metric is that it captures the ability of the divergent design to achieve both replica specialization and flexibility in load balancing with respect to $m$. To capture the case of failures, we define $\mathit{FTotalCost}(\mathbf{I},\mathbf{h},j)$ as the performance of the workload when replica $j\in[1,N]$ fails: $\displaystyle\mathit{FTotalCost}(\mathbf{I},\mathbf{h},j)$ $\displaystyle=$ $\displaystyle\sum_{q\in Q}\sum_{r\in\mathit{h}_{j}(q)}\frac{f(q)}{\max\\{m,N-1\\}}{\mathit{cost}}(q,\mathit{I}_{r})+$ $\displaystyle\sum_{u\in U}\sum_{i\in\\{1,\cdots,N\\}-\\{j\\}}f(u){\mathit{cost}}(u,\mathit{I}_{i})$ The expression for $\mathit{FTotalCost}(\mathbf{I},\mathbf{h},j)$ is similar to $\mathit{TotalCost}(\mathbf{I},\mathbf{h})$, except that, since replica $j$ is unavailable, the update cost on replica $j$ is discarded and routing function $\mathit{h}_{j}$ is used instead of $\mathit{h}_{0}$. We quantify the goodness of a divergent design $(\mathbf{I},\mathbf{h})$ based on the expected cost of the workload, denoted as $\mathit{ExpTotalCost}(\mathbf{I},\mathbf{h})$, by combining $\mathit{TotalCost}(\mathbf{I},\mathbf{h})$ and $\mathit{FTotalCost}(\mathbf{I},\mathbf{h},j)$ weighted appropriately. Recall that $\alpha$ is a DBA-specified probability that a failure will occur. It follows that $(1-\alpha)$ is the probability that all replicas are operational and hence the performance of the workload is computed by $\mathit{TotalCost}(\mathbf{I},\mathbf{h})$. Conversely, the probability of a specific replica $j$ failing is $\alpha/N$, assuming that all replicas can fail independently with the same probability. In that case, the cost of workload evaluation is $\mathit{FTotalCost}(\mathbf{I},\mathbf{h},j)$. Putting everything together, we obtain the following definition for the expected workload cost: $\displaystyle\mathit{ExpTotalCost}(\mathbf{I},\mathbf{h})$ $\displaystyle=$ $\displaystyle(1-\alpha)\cdot\mathit{TotalCost}(\mathbf{I},\mathbf{h})+$ $\displaystyle\sum_{j\in[1,N]}\frac{\alpha}{N}\mathit{FTotalCost}(\mathbf{I},\mathbf{h},j)$ Our assumption so far is that at most one replica can be inoperational at any point in time. The extension to concurrent failures is straightforward. All that is needed is extending $\mathbf{h}$ with routing functions for combinations of failed replicas, and then extending the expression of $\mathit{ExpTotalCost}(\mathbf{I},\mathbf{h})$ with the corresponding cost terms and associated probabilities. We are now ready to formally define the problem of Divergent Design Tuning, referred to as DDT. ###### Problem 1 (Divergent Design Tuning - DDT) We are given a replicated database with $N$ replicas, a workload $W=Q\ \cup\ U$, a candidate index-set ${\cal S}$, a set of constraints $C$, a routing multiplicity factor $m$, and a probability of failure $\alpha$. The goal is to compute a divergent design $(\mathbf{I},\mathbf{h})$ that employs indexes in ${\cal S}$, satisfies the constraints in $C$, and $\mathit{ExpTotalCost}(\mathbf{I},\mathbf{h})$ is minimal among all feasible divergent designs. $\Box$ Constraints in DDT. The set of constraints $C$ enables the DBA to control the space of divergent designs considered by the advisor. An _intra-replica_ constraint specifies some desired property that is local to a replica. Examples include the following: * • The size of $I_{j}$ in $\mathbf{I}$ is within a storage-space budget. * • Indexes in $I_{j}$ must have specific properties, e.g., no index can be more than 5-columns wide, or the count of multi-key indexes is below a limit. * • The cost to update the indexes in $I_{j}$ is below a threshold. Conversely, an _inter-replica_ constraint specifies some property that involves all the replicas. Examples include the following: * • If $(\mathbf{I}_{c},\mathbf{h}_{c})$ represents the current divergent design of the system, then $\mathit{ExpTotalCost}(\mathbf{I},\mathbf{h})$ must improve on $\mathit{ExpTotalCost}(\mathbf{I}_{c},\mathbf{h}_{c})$ by at least some percentage. * • The total cost to materialize $(\mathbf{I},\mathbf{h})$ (i.e., to build each $I_{j}$ in each replica) must be below some threshold. * • The load skew among replicas must be below some threshold. (We discuss this constraint in more detail shortly.) We will formalize later the precise class of constraints $C$ that we can support in RITA. The goal is to provide support for a large class of practical constraints, while retaining the ability to find effective designs efficiently. Bounding load skew is a particularly important inter-replica constraint that we examine in our work. The replica-specialization imposed by a divergent design means that each replica may receive a different subset of the workload, and hence a different load. The $\mathit{ExpTotalCost}()$ metric does not take into account these different loads, which means that minimizing workload cost may actually lead to a high skew in terms of load distribution. Our experiments verify this conjecture, showing that an optimal divergent design in terms of $\mathit{ExpTotalCost}()$ can cause loads at different replicas to differ by up to a factor of two. This situation, which is clearly detrimental for good performance in a distributed setting, can be avoided by including in $C$ a constraint on the load skew among replicas. More concretely, the load of replica $j$ under normal operation can be computed as: $\mathit{load}(\mathbf{I},\mathbf{h},j)=\sum_{q\in Q\land\ j\in\mathit{h}_{0}(q)}\frac{f(q)}{m}{\mathit{cost}}(q,\mathit{I}_{j})+\sum_{u\in U}f(u){\mathit{cost}}(u,\mathit{I}_{j})$ We say that design $(\mathbf{I},\mathbf{h})$ has _load skew_ ${{\tau}\geq 0}$ if and only if $\mathit{load}(\mathbf{I},\mathbf{h},r)\leq(1+{\tau})\cdot\mathit{load}(\mathbf{I},\mathbf{h},j)$ for any $1\leq r\neq j\leq N$. A low value is desirable for ${\tau}$, as it implies that $(\mathbf{I},\mathbf{h})$ keeps the different replicas relatively balanced. We can define a load-skew constraint for the case of failures in exactly the same way. Specifically, we define $\mathit{fload}(\mathbf{I},\mathbf{h},j,f)$ as the load of replica $j$ when replica $f$ fails. The formula of $\mathit{fload}(\mathbf{I},\mathbf{h},j,f)$ is similar to that of $\mathit{load}(\mathbf{I},\mathbf{h},j)$ except that $\mathit{h}_{0}$ is replaced by $\mathit{h}_{f}$. The constraint then specifies that $\mathit{fload}(\mathbf{I},j,f)\leq(1+{\tau}^{\prime})\mathit{fload}(\mathbf{I},\mathbf{h},r,f)$ for any valid choice of $j,r,f$ and a skew factor ${\tau}^{\prime}\geq 0$. It is straightforward to verify that zero skew is always possible by assigning the same index configuration to each replica. One may ask whether there is a tradeoff between specialization (and hence overall performance) and a low skew factor. One of the contributions of our work is to show that this is _not_ the case, i.e., it is possible to compute divergent designs that exhibit both good performance and a low skew factor. Theoretical Analysis. Computing the optimal divergent design implies computing a partitioning of the workload to replicas and an optimal index configuration per replica. Not surprisingly, the problem is computationally hard, as formalized in the following theorem. The proof is provided in Appendix A. ###### Theorem 1 It is not possible to compute an optimal solution to ${\it DDT}$ in polynomial time unless $P=NP$. ### 3.3 Comparison to Original Study [5] The formulation of DDT expands on the original problem statement in [5] in several non-trivial ways. First, DDT incorporates the expected cost under the case of failures into the objective function, whereas failures were completely ignored in [5]. Second, our formulation allows a much richer set of constraints $C$ compared to the original study which considered solely intra- replica constraints. As discussed earlier, the omission of such constraints may lead to divergent designs with undesirable effects on the overall system, e.g., the load skew issue that we discussed earlier. Finally, the original problem statement imposed a restriction for $\mathit{h}_{0}(q)$ to correspond to the $m$ replicas with the least evaluation cost for $q$, that is, $\forall q\in Q$ and $\forall i,j\in[1,N]$ such that $i\in\mathit{h}_{0}(q)$ and $j\notin\mathit{h}_{0}(q)$ it must be that $cost(q,\mathit{I}_{i})\leq cost(q,\mathit{I}_{j})$. We remove this restriction in our formulation in order to explore a larger space of divergent designs, which is particularly important in light of the richer class of constraints that we consider. ## 4 Divergent Design Tuning as Binary Integer Programming In this section, we show that the problem of Divergent Design Tuning (${\it DDT}$) can be reduced to a Binary Integer Program (BIP) that contains a relatively small number of variables. The implication is that we can leverage several decades of research in linear-optimization solvers in order to efficiently compute near-optimal divergent designs. Reliance on these off-the- shelf solvers brings other important benefits as well, e.g., simpler implementation and higher portability of the index advisor, or the ability to operate in “any-time” mode where the DBA can interrupt the tuning session at any point in time and obtain the best design computed thus far. We discuss these features in more detail in Section 5, when we describe the architecture of RITA. The remainder of the section presents the technical details of the reduction. We first review some basic concepts for _fast what-if optimization_ , which forms the basis for the development of our results. We then present the reduction for a simple variant of ${\it DDT}$ and then generalize to the full problem statement. ### 4.1 Fast What-If Optimization What-if optimization is a principled method to estimate ${\mathit{cost}}(q,X)$ and ${\mathit{cost}}(u,X)$ for any $q\in Q$, $u\in U$ and index set $X$, but it remains an expensive operation that can easily become the bottleneck in any index-tuning tool. To mitigate the high overhead of what-if optimization, recent studies have developed two techniques for fast what-if optimization, termed INUM [11] and C-PQO [3] respectively, that can be used as drop-in replacements for a what-if optimizer. In what follows, we focus on INUM but note that the same principles apply for C-PQO. We first introduce some necessary notation. A configuration $A\subseteq{\cal S}$ is called atomic [11] if $A$ contains at most one index from each ${\cal S}_{i}$. We represent $A$ as a vector with $n$ elements, where $A[i]$ is an index from ${\cal S}_{i}$ or a symbol $\mbox{\small\rm SCAN}_{\small i}$ indicating that no index of ${\cal S}_{i}$ is selected. For an arbitrary index set $X$, we use $atom(X)$ to denote the set of atomic configurations in $X$. To simplify presentation, we assume that a query $q$ references a specific table $T_{i}$ with at most one tuple variable. The extension to the general case is straightforward at the expense of complicated notation. For each query $q$, INUM makes a few carefully selected calls to the what-if optimizer in order to compute a set of _template plans_ , denoted as $\mathit{TPlans}(q)$. A template plan $p\in\mathit{TPlans}(q)$ is a physical plan for $q$ except that all access methods (i.e., the leaf nodes of the plan) are substituted by “slots”. Given a template $p\in\mathit{TPlans}(q)$ and an atomic index configuration $A$, we can instantiate a concrete physical execution plan by instantiating each slot with the corresponding index in $A$, or a sequential scan if $A$ does not prescribe an index for the corresponding relation. Figure 1 shows an example of this process for a simple query over three tables $T_{1}$, $T_{2}$, and $T_{3}$, and an atomic configuration that specifies an index on $T_{1}$ and another index on $T_{3}$. Each template is also associated with an internal plan cost, which is the sum of the costs of the operators in this plan except the access methods. Given an atomic configuration $A$, the cost of the instantiated plan, denoted as ${\mathit{cost}}(p,A)$, is the sum of the internal plan cost and the cost of the instantiated access methods. The intuition is that $\mathit{TPlans}(q)$ represents the possibilities for the optimal plan of $q$ depending on the set of materialized indexes. Hence, given a hypothetical index configuration $X$, INUM estimates ${\mathit{cost}}(q,X)$ as the minimum ${\mathit{cost}}(p,A)$ over $p\in\mathit{TPlans}(q)$ and $A\in\mathit{Atom}(X)$. Note that a slot in $p$ may have restrictions on its sorted order, e.g., the template plan in Figure 1 prescribes that the slot for $T_{1}$ must be accessed in sorted order of attribute $x$. If $A$ does not provide a suitable access method that respects this sorted order, then ${\mathit{cost}}(p,A)$ is set to $\infty$. INUM guarantees that there is at least one plan $p$ in $\mathit{TPlans}(q)$ such that ${\mathit{cost}}(p,A)<\infty$ for any $A\in\mathit{Atom}(X)$. As shown in the original study [11], INUM provides an accurate approximation for the purpose of index tuning, and is orders-of-magnitude faster compared to conventional what-if optimization. Figure 1: Example of template plans and instantiated plans. The configuration $A$ has the following contents: $A[1]=a$, an index with key $T_{1}.x$; $A[2]=\mbox{\small\rm SCAN}_{\small 2}$; $A[3]=b$, an index with key $(T_{2}.x,T_{2}.w)$ [6] Linear composability. The approximation provided by INUM and C-PQO can be formalized in terms of a property that is termed linear composability in [6]. ###### Definition 1 (Linear composability [6]) Function ${\mathit{cost}}()$ is linearly composable for a select-statement $q$ if there exists a set of identifiers $K_{q}$ and constants $\beta_{p}$ and $\gamma_{pa}$ for $p\in K_{q}$, $a\in{\cal S}\cup\\{\mbox{\small\rm SCAN}_{\small 1}\\}\cup\cdots\cup\\{\mbox{\small\rm SCAN}_{\small n}\\}$ such that: $cost(q,X)=min\\{\beta_{p}+\sum_{a\in A}\gamma_{pa},p\in K_{q},A\in\mathit{Atom}(X)\\}$ for any configuration X. Function $cost()$ is linearly composable for an update-statement $q$ if it is linearly composable for its query shell. $\Box$ It has been shown in [6] that both INUM and C-PQO compute a cost function that is linearly composable. For INUM, $K_{q}=\mathit{TPlans}(q)$ and each $p$ corresponds to a distinct template plan in $\mathit{TPlans}(q)$. Here, we use $\mathit{TPlans}(q)$ for the set of identifiers and overload $p\in\mathit{TPlans}(q)$ to represent an identifier. In turn, the expression $\beta_{p}+\sum\gamma_{pa}$ corresponds to $cost(p,A)$, where $\beta_{p}$ denotes the internal plan cost of $p$, and $\gamma_{pa}$ is the cost of implementing the corresponding slot in $p$ using index $a$. (The slot covers the relation on which the index is defined.) Note that linear composability does not imply a linear cost model for the query optimizer – non-linearities are simply hidden inside the constants $\beta_{qp}$. For the remainder of the paper, we assume that ${\mathit{cost}}(q,X)$ is computed by either INUM or C-PQO (for the purpose of fast what-if optimization) and hence respects linear composability. ### 4.2 Basic DDT In this subsection, we discuss how to reduce ${\it DDT}$ to a compact BIP for the case when $\alpha=0$, $C=\emptyset$ (i.e., no failures and no constraints) and the workload comprises solely queries, i.e., $W=Q$. This reduction forms the basis for generalizing to the full problem statement, which we discuss later. Minimize: $\hat{\mathit{TotalCost}}(\mathbf{I},\mathbf{h})=\hat{\mathit{QueryCost}}(\mathbf{I},\mathbf{h})\boxed{+\hat{\mathit{UpdateCost}}(\mathbf{I},\mathbf{h})}$, where: $\hat{\mathit{QueryCost}}(\mathbf{I},\mathbf{h})=\sum_{q\in Q}\sum_{r\in[1,N]}\frac{f(q)}{m}{\hat{{\mathit{cost}}}}(q,r)$ $\displaystyle\hat{\mathit{UpdateCost}}(\mathbf{I},\mathbf{h})$ $\displaystyle=$ $\displaystyle\sum_{q\in Q_{upd}}\sum_{r\in[1,N]}f(q){\hat{{\mathit{cost}}}}(q,r)$ $\displaystyle+$ $\displaystyle\sum_{u\in U}\sum_{r\in[1,N]}f(u)s^{r}_{a}\cdot ucost(u,a)$ ${\hat{{\mathit{cost}}}}(q,r)=\sum_{p\in\mathit{TPlans}(q)}\beta_{p}y^{r}_{p}+\sum_{\begin{subarray}{c}p\in\mathit{TPlans}(q)\\\ a\in{\cal S}\cup\\{\mbox{\tiny\rm SCAN}_{\tiny 1}\\}\cup\cdots\cup\\{\mbox{\tiny\rm SCAN}_{\tiny n}\\}\end{subarray}}\gamma_{pa}x^{r}_{pa},\begin{subarray}{c}\forall r\in[1,N],\\\ \forall q\in Q\cup Q_{upd}\end{subarray}$ (1) such that: $\sum_{r\in[1,N]}t^{r}_{q}=m,\forall q\in Q$ (2) $\sum_{r\in[1,N]}t^{r}_{q}=N,\forall q\in Q_{upd}$ (3) $\sum_{p\in\mathit{TPlans}(q)}y^{r}_{p}=t^{r}_{q},\ \ \ \forall q\in Q\cup Q_{upd}$ (4) $s^{r}_{a}\geq x^{r}_{pa},\ \ \ \forall q\in Q\cup Q_{upd},p\in\mathit{TPlans}(q),\ a\in{\cal S}$ (5) $\sum_{a\in{\cal S}_{i}\cup\\{\mbox{\tiny\rm SCAN}_{\tiny i}\\}}x^{r}_{pa}=y^{r}_{p},\ \ \begin{subarray}{c}\forall q\in Q\cup Q_{upd},p\in\mathit{TPlans}(q),\\\ i\in[1,n],\ T_{i}\mbox{ is referenced in q}\end{subarray}$ (6) Figure 2: The BIP for Divergent Design Tuning. BIP formulation. At a high level, we are given an instance of ${\it DDT}$ and we wish to construct a BIP whose solution provides an optimal divergent design. This reduction will hinge upon the linear composability property, i.e., we assume that each query $q\in W$ has been preprocessed with INUM and therefore we can approximate cost$(q,X)$ for any $X\subseteq{\cal S}$ as expressed in Definition 1. Figure 2 shows the constructed BIP. (Ignore for now the boxed expressions.) In what follows, we will explain the different components of the BIP and also formally state its correctness. The BIP uses two sets of binary variables to encode the choice for a divergent design $(\mathbf{I},\mathbf{h})$: * • Variable $s^{r}_{a}$ is set to $1$ if and only if index $a$ is part of the index design $I_{r}$ on replica $r$. In other words, $I_{r}=\\{a\ |\ s^{r}_{a}=1\\}$. * • Variable $t^{r}_{q}$ is set to $1$ if and only if query $q$ is routed to replica $r$, i.e., $r\in\mathit{h}_{0}(q)$. (Recall that we ignore failures for now.) In other words, $\mathit{h}_{0}(q)=\\{r\ |\ t^{r}_{q}=1\\}$. Under our assumption of using fast what-if optimization, the cost of a query $q$ in some replica $r$ can be expressed as ${\mathit{cost}}(q,I_{r})={\mathit{cost}}(p^{\prime},A^{\prime})$ for some choice of $p^{\prime}\in\mathit{TPlans}(q)$ and an atomic configuration $A^{\prime}\in\mathit{Atom}(I_{r})$. To encode these two choices, we introduce two different sets of binary variables: * • Variable $x^{r}_{pa}$, where $p$ is a template in $\mathit{TPlans}(q)$ and $a$ is an index in ${\cal S}$$\cup\\{\mbox{\small\rm SCAN}_{\small 1}\\}\cup\cdots\cup\\{\mbox{\small\rm SCAN}_{\small n}\\}$, is equal to $1$ if and only if $p=p^{\prime}$ and $a\in A^{\prime}$. * • Variable $y^{r}_{p}=1$ if and only if $p=p^{\prime}$. The BIP specifies several constraints that govern the valid value assignments to the aforementioned variables: * • Constraint (2) specifies that query $q$ must be routed to exactly $m$ replicas. * • Constraint (4) specifies that there must be exactly one variable $y^{r}_{p}$ set to $1$ if $t^{r}_{q}=1$, i.e., exactly one template $p$ chosen for computing ${\mathit{cost}}(q,I_{r})$ if $q$ is routed to $r$. Conversely, $y^{r}_{p}=0$ for all templates $p$ if $t^{r}_{q}=0$. * • Constraint (5) specifies that an index $a$ can be used in instantiating a template $p$ at replica $r$ only if it appears in the corresponding design $I_{r}$. * • Constraint (6) specifies that if $y^{r}_{p}=1$, i.e., $p$ is used to compute ${\mathit{cost}}(q,I_{r})$, then there must be exactly one access method $a$ per slot such that $x^{r}_{pa}=1$. Essentially, the choices of $a$ for which $x^{r}_{pa}=1$ must correspond to an atomic configuration. Conversely, $x^{r}_{pa}=0$ for all $a$ if $y^{r}_{p}=0$. Given these variables, we can express ${\mathit{cost}}(q,I_{r})$ as in Equation 1 in Figure 2. The equation is a restatement of linear composability (Definition 1) by translating the minimization to a guarded summation using the binary variables $y^{r}_{p}$ and $x^{r}_{pa}$. Specifically, if $t^{r}_{q}=1$, then constraint (4) forces the solver to pick exactly one $p$ such that $y^{r}_{p}=1$, and constraint (6) forces setting $x^{r}_{pa}=1$ for the same choice of $p$ and corresponding to an atomic configuration. Hence, minimizing the expression in Equation 1 corresponds to computing ${\mathit{cost}}(q,I_{r})$. Otherwise, if $t^{r}_{q}=0$, then the same constraints force ${\mathit{cost}}(q,I_{r})=0$. In turn, it follows that the objective function of the BIP corresponds to $\mathit{TotalCost}(\mathbf{I},\mathbf{h})$. Handling update statements. The total cost to execute update statements, $\mathit{UpdateCost}(\mathbf{I},\mathbf{h})$, includes two terms, as shown in the second boxed expression in Figure 2. Here, $Q_{upd}$ denotes the set of all the query-shells, each of which corresponds to each update statement in $U$. The first component of $\mathit{UpdateCost}()$ is the total cost to evaluate every query-shell in $Q_{upd}$ at every replica. This component is expressed as the summation of ${\hat{{\mathit{cost}}}}(q,r)$ for all $q_{sel}\in Q_{upd}$ and $r\in[1,N]$ in our BIP. Since each query-shell needs to be routed to all replicas, we impose the constraint (3). The second component of $\mathit{UpdateCost}()$ is the total cost to update the affected indexes. Using variable $s_{a}^{r}$ that tracks the selection of an index at replica $r$ in the recommended configuration, the cost of updating an index $a$ at replica $r$ given the presence of an update statement $u$ is computed as the product of $s^{r}_{a}$ and $ucost(u,a)$. Correctness. Up to this point, we argued informally about the correctness of the BIP. The following theorem formally states this property. The proof is given in Appendix B. ###### Theorem 2 A solution to the BIP in Figure 2 corresponds to the optimal divergent design for ${\it DDT}$ when $\alpha=0$ and $C=\emptyset$. As stated repeatedly, the key property of the BIP is that it contains a relatively small number of variables and constraints, which means that a BIP- solver is likely to find a good solution efficiently. Formally: ###### Corollary 1 The number of variables and constraints in the BIP shown in Figure 2 is in the order of $O(N|W||{\cal S}|)$. In fact, it is possible to eliminate some variables and constraints from the BIP while maintaining its correctness. We do not show this extension since it does not change the order of magnitude for the variable count but it makes the BIP less readable and harder to explain. ### 4.3 Factoring Failures To extend the BIP to the case when $\alpha>0$ (i.e., failures are possible), we first introduce additional variables $t^{r,j}_{q}$, $y^{r,j}_{p}$ and $x^{r,j}_{pa}$, for $j\in[1,N]$. These variables have the same meaning as their counterparts in Figure 2, except that they refer to the case where replica $j$ fails. For instance, $t^{r,j}_{q}=1$ if and only if $q$ is routed to replica $r$ when $j$ fails, i.e., $\mathit{h}_{j}(q)=\\{r\ |\ t^{r,j}_{q}=1\\}$. We augment the BIP with the corresponding constraints as well. For instance, we add the constraint $\sum_{r\neq j}t^{r,j}_{q}=\max\\{N-1,m\\}$, $\forall q\in Q,j\in[1,N]$ to express the fact that function $\mathit{h}_{j}()$ must respect the routing-multiplicity factor $m$. Finally, we change the objective function to $\mathit{ExpTotalCost}()$, which is already linear, and express each term $\mathit{FTotalCost}(\mathbf{I},\mathbf{h},j)$ as a summation that involves the new variables. The complete details for this extension, including the proof of correctness, can be found in Appendix C. We should mention that this extension increases the number of variables and constraints by a factor of $N$ to $O(N^{2}|W||{\cal S}|)$, since it becomes necessary to reason about the failure of every replica $j\in[1,N]$. ### 4.4 Adding Constraints In this subsection, we discuss how to extend the BIP when $C\neq\emptyset$, i.e., the DBA specifies constraints for the divergent design. Obviously, we can attach to the BIP any type of linear constraint. As it turns out, linear constraints can capture a surprisingly large class of practical constraints. In what follows, we present three examples of how to translate common constraints to linear expressions that be directly added to the BIP. Space budget. Let $size(a)$ denote the estimated size of an index $a$, and $b$ be the storage budget at each replica. Using the variable $s_{a}^{r}$ that tracks the selection of an index at replica $r$ in the recommended configuration, the storage constraint can be encoded as: $\sum_{a\in{\cal S}}s^{r}_{a}size(a)\leq b,\ \forall r\in[1,N]$. In general, variables $s^{r}_{a}$ can be used to express several types of intra-replica constraints that involve the selected indexes, e.g., bound the total number of multi-key indexes per replica, or bound the total update cost for the indexes in each replica. Bounding load-skew. Recall that $\mathit{load}(\mathbf{I},\mathbf{h},j)$ captures the total load of replica $j$ under a divergent design $(\mathbf{I},\mathbf{h})$. The load-skew constraint specifies that $\mathit{load}(\mathbf{I},\mathbf{h},j)\leq(1+\tau)\mathit{load}(\mathbf{I},\mathbf{h},r)$, for any $r\neq j$, where $\tau$ is the load-skew factor provided by the DBA. It is straightforward to translate the constraint between two specific replicas $j$ and $r$ into a linear inequality, by using variables $x^{r}_{pa}$ and $y^{r}_{p}$ to rewrite the corresponding $\mathit{load}()$ terms as linear sums. Specifically, $\mathit{load}(\mathbf{I},\mathbf{h},j)$ can be expressed as a linear sum similarly to $\hat{\mathit{TotalCost}}()$ in Figure 2, except that we only consider replica $j$ and the queries for which $j\in\mathit{h}_{0}(q)$, and the same goes for expressing $\mathit{load}(\mathbf{I},\mathbf{h},r)$. Based on this translation, we can add $N(N-1)$ constraints to the BIP, one for each possible choice of $j$ and $r$. We can actually do better, by observing that we can sort replicas in ascending order of their load, and then impose a single load-skew constraint between the first and last replica. By virtue of the sorted order, the constraint will be satisfied by any other pair of replicas. Specifically, we add the following two constraints to the BIP: $\displaystyle\mathit{load}(\mathbf{I},\mathbf{h},i)\leq\mathit{load}(\mathbf{I},\mathbf{h},i+1),\ \forall i\in[1,N-1]$ (7) $\displaystyle\mathit{load}(\mathbf{I},\mathbf{h},N)\leq(1+{\tau})\cdot\mathit{load}(\mathbf{I},\mathbf{h},1)$ (8) This approach requires only $N$ constraints and is thus far more effective. The final step requires adding another set of constraints on ${\hat{{\mathit{cost}}}}(q,I_{r})$. This is a subtle technical point that concerns the correctness of the reduction when the constraints are infeasible. More concretely, the solver may assign variables $y^{r}_{p}$ and $x^{r}_{pa}$ for some query $q$ so that constraints (7)–(8) are satisfied even though this assignment does not correspond to the optimal cost ${\mathit{cost}}(q,I_{r})$. To avoid this situation, we introduce another set of variables that are isomorphic to $x^{r}_{pa}$ and are used to force a cost-optimal selection for $y^{r}_{p}$ and $x^{r}_{pa}$. The details are given in Appendix D.1, but the upshot is that we need to add $O(N|W||{\cal S}|)$ additional constraints. We have also developed an approximate scheme to handle load-skew constraints in the BIP. The approximate scheme allows the BIP to be solved considerably faster, but the compromise is that the resulting divergent design may not be optimal. However, our experimental results (see Section 6) suggest that the loss in quality is not substantial. The details of the approximate scheme can be found in Appendix D.2 Materialization cost constraint. This constraint specifies that the total cost to materialize $(\mathbf{I},\mathbf{h})$ must be below some threshold ${\mathit{C_{m}}}$. The materialization cost is computed with respect to the current design $(\mathbf{I}_{c},\mathbf{h}_{c})$ and takes into account the cost to scale up or down the current number of replicas, and the cost to create additional indexes or drop redundant indexes in each replica. We first consider the case when the number of replicas remains unchanged between $(\mathbf{I},\mathbf{h})$ and $(\mathbf{I}_{c},\mathbf{h}_{c})$. Let us consider a specific replica $r$ and the new design $I_{r}\in\mathbf{I}$. Let $I^{c}_{r}\in\mathbf{I}_{c}$ denote the previous design. Clearly, we need to create every index in $I_{r}-I^{c}_{r}$ and to delete every index in $I^{c}_{r}-I_{r}$. Assuming that $\mathit{ccost}(a)$ and $\mathit{dcost}(a)$ denote the cost to create and drop index $a$ respectively, we can express the reconfiguration cost for replica $r$ as $\sum_{a\not\in I^{c}_{r}}s^{r}_{a}\mathit{ccost}(a)+\sum_{a\in I^{c}_{r}}(1-s^{r}_{a})\mathit{dcost}(a)$. If each replica can install indexes in parallel, then the materialization cost constraint can be expressed as: $\sum_{a\in{\cal S}\wedge a\not\in I^{c}_{r}}s^{r}_{a}\mathit{ccost}(a)+\sum_{a\in{\cal S}\wedge a\in I^{c}_{r}}(1-s^{r}_{a})\mathit{dcost}(a)\leq{\mathit{C_{m}}},\forall r\in[1,N]$ We can also express a single constraint on the aggregate materialization cost by summing the per-replica costs. We next consider the case when the DBA wants to shrink the number of replicas to be $N_{d}<N$. In this case, the BIP solver should try to find which replicas to maintain and how to adjust their index configurations so that the total materialization cost remains below threshold. For this purpose, we introduce $N$ new binary variables $z^{r}$ with $r\in[1,N]$ associated with each replica $r$, where $z^{r}=1$ if replica $r$ is kept in the new divergent design, and $z^{r}=0$ otherwise. The materialization cost can be computed in a similar way as discussed above, except that we need to add the following two additional constraints to the BIP. $\displaystyle t^{r}_{q}\leq z^{r},\forall q\in Q\cup Q_{upd},r\in[1,N]$ (9a) $\displaystyle\sum_{r\in[1,N]}z^{r}=N_{d}$ (9b) The first constraint ensures that we can route queries only to live replicas. The second simply restricts the number of live replicas to the desired number. Lastly, we consider the case when the DBA wants to expand the number of replicas to be $N_{d}>N$. The set of constraints in the BIP can be re-used except that all the variables are defined according to $N_{d}$ replicas (instead of $N$ replicas as before). The materialization cost can also be computed in a similar way. In addition, we also take into account the cost to deploy the database in new replicas, which appear as constants in the total cost to materialize a design in a new replica. ### 4.5 Routing Queries Recall that a divergent design $(\mathbf{I},\mathbf{h})$ includes both the index-sets for different replicas and the routing functions $\mathit{h}_{0}(),\mathit{h}_{1}(),\dots,\mathit{h}_{N}()$. These functions are used at runtime, after the divergent design has been materialized, to route queries to different specialized replicas. A solution to the BIP determines how to compute these functions for a training query $q$ in $Q$, based on the variables $t^{r}_{q}$ and $t^{r,j}_{q}$. Here, we describe how to compute these functions for any query $q^{\prime}$ that is not part of the training workload. We focus on the computation of $\mathit{h}_{0}(q^{\prime})$ but our techniques readily extend to the other functions. Our first approach is inspired by the original problem statement of the tuning problem [5] and computes $\mathit{h}_{0}(q^{\prime})$ as the $m$ replicas with the lowest evaluation cost for $q^{\prime}$. Normally this requires $N$ what- if optimizations for $q^{\prime}$, but we can leverage again fast what-if optimization in order to achieve the same result more efficiently. Specifically, we first compute $\mathit{TPlans}(q^{\prime})$ (which requires a few calls to the what-if optimizer) and then formulate a BIP that computes the top $m$ replicas for $q^{\prime}$. Our second approach tries to match more closely the revised problem statement, where a query is not necessarily routed to its top $m$ replicas. Our approach is to match $q^{\prime}$ to its most “similar” query $q$ in the training workload $Q$, and then to set $\mathit{h}_{0}(q^{\prime})=\mathit{h}_{0}(q)$. The intuition is that the two queries would affect the divergent design similarly if they were both included in the training workload. We can use several ways to assess similarity, but we found that fast what-if optimizations provides again a nice solution. Specifically, we compute again $\mathit{TPlans}(q^{\prime})$ and then quickly find the optimal plan for $q^{\prime}$ in each replica. We then form a vector $v_{q^{\prime}}$ where the $i$-th element is the set of indexes in the optimal plan of $q^{\prime}$ at replica $i$. We can compute a similar vector for $v_{q}$ and then compute the similarity between $q^{\prime}$ and $q$ as the similarity between the corresponding vectors111Any vector-similarity metric will do. We first convert $v_{q^{\prime}}$ $v_{q}$ to binary vectors indicating which indexes are used at each replica and then use a cosine-similarity metric.. The intuition is that $q^{\prime}$ is similar to $q$ if in each replica they use similar sets of indexes. We can refine this approach further by taking into account the top-$2$ plans for each query, but our empirical results suggest that the simple approach works quite well. ## 5 RITA: Architecture and Functionality Figure 3: The architecture of RITA. In this section we describe the architecture and the functionality of RITA, our proposed index-tuning advisor. RITA builds on the reduction presented in the previous section in order to offer a rich set of features. Figure 3 shows the architecture of RITA. It comprises two main modules: the online monitor, which continuously analyzes the workload in order to detect changes and opportunities for retuning; and the recommender, which is invoked by the DBA in order to run a tuning session. As we will see later, both modules solve a variant of the ${\it DDT}$ problem in order to perform their function. Also, both modules make use of the reduction we presented in the previous section in order to solve the respective tuning problems. For this purpose, they employ an off-the-shelf BIP solver. The remaining sections discuss the two modules in more detail. ### 5.1 Online Monitor The online monitor maintains a divergent design $(\mathbf{I}^{\mbox{\tiny\rm slide}},\mathbf{h}^{\mbox{\tiny\rm slide}})$ that is continuously re-computed based on the latest queries in the workload. Concretely, the monitor maintains a sliding window over the current workload (the length of the window is a parameter defined by the DBA) and then solves ${\it DDT}$ using the sliding window as the training workload. Each new statement in the running workload causes an update of the window and a re-computation of $(\mathbf{I}^{\mbox{\tiny\rm slide}},\mathbf{h}^{\mbox{\tiny\rm slide}})$. Once computed, the up-to-date design $(\mathbf{I}^{\mbox{\tiny\rm slide}},\mathbf{h}^{\mbox{\tiny\rm slide}})$ is compared against the current design $(\mathbf{I}^{\mbox{\tiny\rm curr}},\mathbf{h}^{\mbox{\tiny\rm curr}})$ of the system, using the $\mathit{ExpTotalCost}()$ metric of each design on the workload in the sliding window. The module outputs the difference between the two as the performance improvement if $(\mathbf{I}^{\mbox{\tiny\rm slide}},\mathbf{h}^{\mbox{\tiny\rm slide}})$ were materialized. This output, which is essentially a time series since $(\mathbf{I}^{\mbox{\tiny\rm slide}},\mathbf{h}^{\mbox{\tiny\rm slide}})$ is being continuously updated, can inform the DBA about the need to retune the system. Clearly, it is important for the online monitor to maintain $(\mathbf{I}^{\mbox{\tiny\rm slide}},\mathbf{h}^{\mbox{\tiny\rm slide}})$ up- to-date with the latest statements in the workload. For this purpose, the online monitor solves a bare-bones variant of ${\it DDT}$ that assumes $\alpha=0$ (i.e., no failures) and does not employ any constraints except perhaps very basic ones (e.g., a space budget per replica). Beyond being fast to solve, this formulation also reflects the best-case potential to improve performance, which again can inform the DBA about the need to retune the system. RITA allows the DBA to impose additional constraints inside the online monitor at the expense of taking longer to update the output of the online monitor. ### 5.2 Recommender The DBA invokes the recommender module to run a tuning session, for the purpose of tuning the initial divergent design or retuning the current design when the workload changes. The DBA provides an instance of the ${\it DDT}$ problem, e.g., a training workload, the parameter $\alpha$ and several constraints, and the recommender returns the corresponding (near-)optimal divergent design. The recommender leverages the BIP-based formulation of ${\it DDT}$ in order to compute its output efficiently. If desired by the DBA, the recommender can also return a set of possible designs that represent trade-off points within a multi-dimensional space. For example, suppose that the DBA specifies the workload-evaluation cost and the materialization cost of each design as the two dimensions of this space. We expect that a design with a higher materialization cost will have more indexes, and hence will have a lower workload-evaluation cost. The recommender formulates a BIP to compute an optimal divergent design that does not bound the materialization cost. The solution provides an upper bound on materialization cost, henceforth denoted as ${\mathit{C_{m}}}$. Subsequently, the recommender formulates several tuning BIPs where each BIP puts a different threshold on the materialization cost based on ${\mathit{C_{m}}}$ and some factor (e.g., materialization cost should not exceed $.5\times{\mathit{C_{m}}}$). The thresholds for these Pareto-optimal designs can be predefined or chosen based on more involved strategies such as the Chord algorithm [7]. An important point is that the successive BIPs are essentially identical except for the modified constraint on the materialization cost, which enables the BIP solver to work fast by reusing previous computations. The DBA can also add other parameters into this exploration. For example, adding the number of replicas as another parameter will cause the recommender to use the same process to generate designs for the hypothetical scenarios of expanding/shrinking the set of replicas. The final output can inform the DBA about the trade-off between workload-evaluation cost and design- materialization cost, and how it is affected by the number of replicas. Besides being able to perform tuning sessions efficiently, RITA’s recommender module gains two important features through its reliance on a BIP solver. * • Fast refinement. As mentioned earlier, the BIP solver can reuse computation if the current BIP is sufficiently similar to previously solved BIPs. RITA takes advantage of this feature to offer fast refinement of the solution for small changes to the input. E.g., the optimal divergent design can be updated very efficiently if the DBA wishes to change the set of candidate indexes or impose additional inter-replica constraints. * • Early termination. In the course of solving a BIP, the solver maintains the currently-best solution along with a bound on its suboptimality. This information can be leveraged by RITA to support early termination based on time or quality. For instance, the DBA may instruct the recommender to return the first solution that is within 5% of the optimal, which can reduce substantially the total running time without compromising performance for the output divergent design. Or, the DBA may ask for the best solution that can be computed within a specific time interval. ## 6 Experimental Study This section presents the results of the experimental study that we conducted in order to evaluate the effectiveness of RITA. In what follows, we first discuss the experimental methodology and then present the findings of the experiments. Parameter | Values ---|--- Number of replicas ($N$) | $2$, 3, $4$, $5$ Routing multiplicity ($m$) | $1$, 2, $3$ Space budget ($b$) | 0.25$\times$, 0.5$\times$, 1.0$\times$, INF Prob. of failure ($\alpha$) | 0.0, $0.1$, $0.2$, $0.3$, $0.4$ Load skew (${\tau}$) | $1.3$, $1.5$, $1.7$, $1.9$, $2.1$, INF Percentage-update ($\mathit{p_{upd}}$) | $10^{-5}$, $10^{-4}$, ${\textbf{10}}^{\textbf{-3}}$, $10^{-2}$ Sliding window ($w$) | $40$, 60, $80$, $100$ Table 1: Experimental parameters (default in bold). | | ---|---|--- Figure 4: Varying space budget on $\mathit{TPCDS\mbox{-}query}$, $\alpha=0$, ${\tau}=+\infty$. | Figure 5: Varying number of replicas on $\mathit{TPCDS\mbox{-}mix}$, $\alpha=0$, ${\tau}=+\infty$. | Figure 6: Constraint the update cost on $\mathit{TPCDS\mbox{-}mix}$, $\alpha=0$, ${\tau}=+\infty$. ### 6.1 Methodology Advisors. Our experiments use a prototype implementation of RITA written in Java. The prototype employs CPLEX v12.3 as the off-the-shelf BIP solver, and a custom implementation of INUM for fast what-if optimization. The database system in our experiments is the freely available IBM DB2 Express-C. The CPLEX solver is tuned to return the first solution that is within 5% of the optimal. In all experiments, we use ${p_{\mbox{\tiny\rm RITA}}}$ to denote the divergent design computed by RITA. We compare RITA against the heuristic advisor DivgDesign that was introduced in the original study of divergent designs [5]. DivgDesign employs IBM’s physical design advisor internally. Similar to [5], we run DivgDesign five times and output the lowest-cost design out of all the independent runs. We denote this final design as ${p_{\mbox{\tiny\rm DD}}}$. We note that the comparison against DivgDesign concerns only a restricted definition of the general tuning problem, since DivgDesign supports only a space budget constraint and does not take into account replica failures. We also include in the comparison the common practice of using the same index configuration with each replica. The identical configuration is computed by invoking the DB2 index-tuning advisor on the whole workload. We use ${p_{\mbox{\tiny\rm UNIF}}}$ to refer to the resulting design. Data Sets and Workloads. We use a 100GB TPC-DS database [15] for our experiments, along with three different workloads, namely $\mathit{TPCDS\mbox{-}query}$, $\mathit{TPCDS\mbox{-}mix}$ and $\mathit{TPCDS\mbox{-}dyn}$. $\mathit{TPCDS\mbox{-}query}$ comprises 40 complex TPC-DS benchmark queries that are currently supported by our INUM implementation [16]. $\mathit{TPCDS\mbox{-}mix}$ adds INSERT statements that model updates to the base data. $\mathit{TPCDS\mbox{-}dyn}$ models a workload of 600 queries that goes through three phases, each phase corresponding to a specific distribution of the queries that appear in $\mathit{TPCDS\mbox{-}query}$. The first phase corresponds mostly to queries of low execution cost222The execution cost is measured with respect to the optimal index-set for each query returned by the DB2 advisor., then the distribution is inverted for the second phase, and reverts back to the starting distribution in the first phase. In all cases, the weight for each query is set to one, whereas the update of each INSERT statement is determined as the product of the cardinality of the corresponding relation and a _percentage-update_ parameter ($\mathit{p_{upd}}$). This parameter allows us to simulate different volumes of updates when we test the advisors. Candidate Index Generation. Recall from Section 3 that the DDT problem assumes that a set of candidate indexes ${\cal S}$ is provided as input. There are many methods for generating ${\cal S}$ based on the database and representative workload. In our setting, we use DB2’s service to select the optimal indexes per query (without any space constraints) and then perform a union of the returned index-sets. The resulting index-set, which is optimal for the workload in the absence of constraints and update statements, contains $103$ candidate indexes and has a total size of $265$GB. Experimental Parameters. Our experiments vary the following parameters: the number of replicas $N$, the per-replica space budget $b$, the probability of failure $\alpha$, the load-skew factor ${\tau}$, the percentage of updates in the workload $\mathit{p_{upd}}$ (for $\mathit{TPCDS\mbox{-}mix}$), and the size of the sliding window $w$ for online monitoring. The routing multiplicity factor ($m$) is set to be $\lceil N/2\rceil$. We report the additional experimental results when varying $m$ in Appendix D.3. Table 1 shows the parameter values tested in our experiments. Note that the storage space budget is measured as a multiple of the base data size, i.e., given TPCDS $100$ GB base data size, a space budget of $0.5\times$ indicates a $50$ GB storage space budget. Metrics. We use $\mathit{ExpTotalCost}()$ to measure the performance of a divergent design. To allow meaningful comparisons among the designs generated by different advisors, we compute this metric for a specific design by invoking DB2’s what-if optimizer for all the required cost factors. This methodology, which is consistent with previous studies on physical design tuning, allows us to gauge the effectiveness of the divergent design in isolation from any estimation errors in the optimizer’s cost models. In some cases, we also report the performance improvement of ${p_{\mbox{\tiny\rm RITA}}}$ over ${p_{\mbox{\tiny\rm DD}}}$ and ${p_{\mbox{\tiny\rm UNIF}}}$, where the performance improvement of a design $X$ over a design $Y$ is computed as $1-\mathit{ExpTotalCost}(X)/\mathit{ExpTotalCost}(Y)$. We also report the time that is taken to execute the index advisor for the corresponding divergent design. Testing Platform. All measurements are taken on a machine running 64-bit Ubuntu OS with four-core Intel(R) Core(TM) i7 CPU Q820 @1.73GHz CPU and 4GB RAM. ### 6.2 Results Basic Tuning Problem. We first consider a basic case of DDT when $\alpha=0$ and ${\tau}=+\infty$, i.e., no failures occur and there is no constraint on load skew. There is a single constraint on the divergent design which is the per-replica space budget. This setting corresponds essentially to the original problem statement in [5]. We begin with a set of experiments that evaluates the performance of RITA and the competitor advisors on the query-only workload $\mathit{TPCDS\mbox{-}query}$. In this case indexes can only bring benefit to queries, and hence the only restraint in materializing indexes comes from any constraints. Figure 6 shows the performance of the divergent designs computed by RITA, DivgDesign, and Unif, as we vary the space budget parameter. (All other parameters are set to their default values according to Table 1.) The results show that RITA consistently outperforms the other two competitors for a wide range of space budgets. The improvement is up to 75% over ${p_{\mbox{\tiny\rm UNIF}}}$ and up to 67% for ${p_{\mbox{\tiny\rm DD}}}$, i.e., the performance of ${p_{\mbox{\tiny\rm RITA}}}$ is 4$\times$ better than ${p_{\mbox{\tiny\rm UNIF}}}$ and is 3$\times$ better than ${p_{\mbox{\tiny\rm DD}}}$. Another way to view these results is that RITA can make much more effective usage of the aggregate disk space for indexes. For instance, ${p_{\mbox{\tiny\rm RITA}}}$ at $b=0.25\times$ matches the performance of ${p_{\mbox{\tiny\rm DD}}}$ at $b=1.0\times$, i.e., with four times as much space for indexes. In all cases, RITA’s better performance can be attributed to the fact that it searches a considerably larger space of possible designs, through the reduction to a BIP. As the space budget increases, the performance of ${p_{\mbox{\tiny\rm RITA}}}$, ${p_{\mbox{\tiny\rm DD}}}$ and ${p_{\mbox{\tiny\rm UNIF}}}$ converge as all beneficial indexes can be materialized in every design. We next examine the performance of RITA and the competitor advisors on a workload of queries and updates. Figure 6 reports the performance of ${p_{\mbox{\tiny\rm RITA}}}$, ${p_{\mbox{\tiny\rm DD}}}$ and ${p_{\mbox{\tiny\rm UNIF}}}$ for the workload $\mathit{TPCDS\mbox{-}mix}$, as we vary the number of replicas in the system. We chose this parameter as updates have to be routed to all replicas and hence it controls directly the total cost of updates. We observe that the improvement of RITA over Unif is in the order of $50\%$ and the improvement of RITA over DivgDesign is $38\%$. Not surprisingly, the improvements increase with the number of replicas. The reason is that RITA is able to find designs with much fewer indexes per replica compared to ${p_{\mbox{\tiny\rm UNIF}}}$ and ${p_{\mbox{\tiny\rm DD}}}$, which contributes to a lower update cost. For instance for $N=3$ and $b=0.5\times$, the number of indexes per replica of ${p_{\mbox{\tiny\rm RITA}}}$ is $(44,44,31)$ compared to $(70,70,70)$ for ${p_{\mbox{\tiny\rm UNIF}}}$ and $(46,50,53)$ for ${p_{\mbox{\tiny\rm DD}}}$. We conducted similar experiments with different weights for the update statements and observed similar trends. | | ---|---|--- Figure 7: Varying probability of failure on $\mathit{TPCDS\mbox{-}query}$, $\alpha\geq 0$, ${\tau}=+\infty$. | Figure 8: Varying load skew on $\mathit{TPCDS\mbox{-}query}$, $\alpha\geq 0$, ${\tau}<+\infty$. | Figure 9: Routing queries The next experiment examines how RITA’s advanced functionality can control even further the cost of updates. Instead of having RITA minimize the combined cost of queries and updates, we instruct the advisor to perform the following constrained optimization: minimize query cost such that update cost is at most $x\%$ of the update cost of a uniform design. Essentially, the desire is to make updates much faster compared to the uniform design, and also try to get some benefits for query processing. This changed optimization requires minimal changes to the underlying BIP: the objective function includes only the cost of evaluating queries, and the constraints include an additional linear constraint on the total update cost based on the update cost of the uniform design (which can be treated as a constant). The ease by which we can support this advanced functionality reflects the power of expressing ${\it DDT}$ as a BIP. Figure 6 depicts the cost of the query workload under ${p_{\mbox{\tiny\rm RITA}}}$ as we vary the factor that bounds the update cost relative to ${p_{\mbox{\tiny\rm UNIF}}}$. For comparison we also show the cost of the query workload for ${p_{\mbox{\tiny\rm UNIF}}}$. The results show clearly that the designs computed by RITA can improve performance dramatically even in this scenario. As a concrete data point, when the bounding factor is set to $0.4$, ${p_{\mbox{\tiny\rm RITA}}}$ makes query evaluation more than 2$\times$ cheaper compared to ${p_{\mbox{\tiny\rm UNIF}}}$ and incurs an update cost that is less than half the update cost of ${p_{\mbox{\tiny\rm UNIF}}}$. Overall, our results demonstrate that RITA clearly outperforms its competitors on the basic definition of the divergent-design tuning problem. From this point onward, we will evaluate RITA’s effectiveness with respect to the generalized version of the problem (i.e., including failures and a richer set of constraints). In the interest of space, we present results with query-only workloads, as the trends were very similar when we experimented with mixed workloads. Factoring Failures. We first evaluate how well RITA can tailor the divergent design in order to account for possible failures, as captured by the failure probability $\alpha$. Figure 13 shows the $\mathit{ExpTotalCost}()$ metric for ${p_{\mbox{\tiny\rm RITA}}}$, ${p_{\mbox{\tiny\rm DD}}}$ and ${p_{\mbox{\tiny\rm UNIF}}}$ as we vary the probability of failure $\alpha$. There are two interesting take-away points from the results. The first is that ${p_{\mbox{\tiny\rm RITA}}}$ has a relatively stable performance as we vary $\alpha$. Essentially, we can reap the benefits of divergent designs even when there is an increased probability of failure in the system, as long as there is a judicious specialization for each replica and a controlled strategy to redistribute the workload (two things that RITA clearly achieves). The second interesting point is that the gap between ${p_{\mbox{\tiny\rm RITA}}}$ and ${p_{\mbox{\tiny\rm DD}}}$ increases with $\alpha$. Basically, ${p_{\mbox{\tiny\rm DD}}}$ ignores the possibility of failures (i.e., it always assumes that $\alpha=0$) and hence the computed design ${p_{\mbox{\tiny\rm DD}}}$ cannot handle effectively a redistribution of the workload when a replica becomes unavailable. As a side note, the cost of ${p_{\mbox{\tiny\rm UNIF}}}$ is unchanged for different values of $\alpha$, since each query has the same cost under ${p_{\mbox{\tiny\rm UNIF}}}$ on all replicas, and hence a redistribution of the workload does not change the total cost. Bounding Load Skew. We next study how RITA handles a (inter-replica) constraint on load skew. Recall that the constraint has the following form: for any two replicas, their load should not differ by a factor of more than $1+\tau$, where $\tau\geq 0$ is the load-skew parameter. A balanced load distribution is important for good performance in a distributed system and hence we are interested in small values for $\tau$. The ability to satisfy such constraints is part of RITA’s novel functionality. Figure 9 shows the performance of ${p_{\mbox{\tiny\rm RITA}}}$, ${p_{\mbox{\tiny\rm DD}}}$ and ${p_{\mbox{\tiny\rm UNIF}}}$ as we vary parameter ${\tau}$ that bounds the load skew (recall that ${\tau}=0$ implies no skew). We report two sets of results for RITA corresponding to $\alpha=0$ (no failures) and $\alpha=0.1$ (10% chance that one replica will fail) respectively, in order to examine the interplay between $\alpha$ and ${\tau}$. Note that we report the results for the greedy version of RITA, which are identical to the exact solution of the constraint. The chart shows a single point corresponding to ${p_{\mbox{\tiny\rm DD}}}$, given that it is not possible to constrain load skew within DivgDesign. As shown, ${p_{\mbox{\tiny\rm DD}}}$ has a significant load skew of up to a $2x$ difference between replicas. This magnitude of skew limits severely the ability of the system to maintain a balanced load and to route queries effectively. In contrast, RITA is able to compute designs that maintain a low expected cost (up to 4$\times$ better than Unif) and also satisfy the bound on load skew. These savings are not affected by the value of $\alpha$–RITA is again able to make a judicious choice for the divergent design in order to satisfy all constraints and handle failures. Note that the uniform design trivially satisfies the load-skew constraint for all values of ${\tau}$ as every replica has the same design and hence the system can be perfectly balanced. | | $\alpha=0$ | $\alpha>0$ ---|---|--- ${\tau}=+\infty$ | $4$ | $60$ ${\tau}<+\infty$ | $9$ | $84$ | | $\alpha=0$ | $\alpha>0$ ---|---|--- ${\tau}=+\infty$ | $20$ | $120$ ${\tau}<+\infty$ | $30$ | $146$ (a) Workload $\mathit{TPCDS\mbox{-}query}$ | (b) Workload $\mathit{TPCDS\mbox{-}dyn}$ Table 2: The average running time of RITA (in seconds) Running Time. Given an instance of the basic DDT problem ($\alpha=0$, ${\tau}=+\infty$), RITA spends $180$ seconds to initialize INUM, a step that is dependent solely on the input workload, and then requires only four seconds to formulate and solve the resulting BIP. An important point is that the initialization step can be reused for free if the workload remains unchanged, e.g., if the DBA runs several tuning sessions using the same workload but different constraints each time. Each subsequent tuning session can thus be executed in the order of a few seconds, offering an almost interactive response to the DBA. Table 2(a) shows the running time for RITA on $\mathit{TPCDS\mbox{-}query}$ workload as we vary the load-skew factor and the probability of failure, two parameters that correspond to novel features of our generalized tuning problem. Note that the time to initialize INUM remains the same as before and is excluded from all the cells of the table. Clearly, the new features complicate the tuning problem and hence have an impact on running time. Still, even for the most complex combination (${\tau}>0$ and $\alpha>0$) RITA has a reasonable running time of at most $84$ seconds. Moreover, as noted in Section 5, RITA can always be invoked with a time threshold and return the best design that has been identified within the allotted time. Table 2(b) shows the same details about the running time of RITA on $\mathit{TPCDS\mbox{-}dyn}$ workload, consisting of $600$ queries. RITA also runs efficiently for this large workload. | | ---|---|--- Figure 10: Online monitoring | Figure 11: Elasticity retuning, varying number of replicas and materialization costs | Figure 12: Elasticity retuning, varying routing multiplicity factor and materialization costs Routing. The next set of experiments examines the effectiveness of the routing scheme we introduced in Section 4.5, which determines how to route unseen queries (i.e., queries not in $W$ for which the routing functions $\mathit{h}_{j}$ cannot be applied) to “good” specialized replicas. Our test methodology splits $\mathit{TPCDS\mbox{-}query}$ into two (sub)workloads: (1) a training workload that plays the role of $W$ and consists of $30$ randomly-chosen queries of $\mathit{TPCDS\mbox{-}query}$, and (2) a testing workload that plays the role of the unseen queries and consists of the remaining $10$ queries. We compute a divergent design ${p_{\mbox{\tiny\rm RITA}}}$ for the training workload, and route the queries in $\mathit{TPCDS\mbox{-}query}$ (including both seen and unseen queries) assuming ${p_{\mbox{\tiny\rm RITA}}}$ is deployed. For comparison, we apply the same methodology to the uniform design: we first derive ${p_{\mbox{\tiny\rm UNIF}}}$ for the training workload and then route the queries in $\mathit{TPCDS\mbox{-}query}$ workload in round-robin fashion. We repeat this experiment for ten independent runs, where each run involves a different random split of the workload. Figure 9 shows the expected cost of the workload for ${p_{\mbox{\tiny\rm RITA}}}$ and ${p_{\mbox{\tiny\rm UNIF}}}$ for each run. The results show that RITA outperforms Unif consistently, even though replica specialization does not take into account the unseen queries. The improvements vary across different runs depending on the choice of the workload split, but overall we can reap the benefits of divergent designs even with incomplete knowledge of the workload. Online Monitoring. The aforementioned routing scheme can help the system cope with unseen queries, but at some point it may become necessary to retune the divergent design if the actual workload is substantially different than the training workload. The next experiment evaluates the online-monitoring module inside RITA which is designed for the task of detecting workload changes. We assume that the system receives the dynamic workload $\mathit{TPCDS\mbox{-}dyn}$, which shifts to a different query distribution after query 200 and then shifts back to the original distribution at query 400. Initially, the system is equipped with a divergent design $p_{\mbox{\tiny\rm RITA}}^{\mbox{\tiny\rm curr}}$ that is tuned with a training workload from the first query distribution. The monitoring module continuously computes a divergent design $p_{\mbox{\tiny\rm RITA}}^{\mbox{\tiny\rm slide}}$ based on a sliding window of the last 60 queries in the workload, and outputs the improvement on $\mathit{ExpTotalCost}()$ if $p_{\mbox{\tiny\rm RITA}}^{\mbox{\tiny\rm slide}}$ were used instead of $p_{\mbox{\tiny\rm RITA}}^{\mbox{\tiny\rm curr}}$. Figure 12 shows the monitoring statistics produced by the online-monitoring module of RITA for the $\mathit{TPCDS\mbox{-}dyn}$ workload. Matching our intuition, the output shows that $p_{\mbox{\tiny\rm RITA}}^{\mbox{\tiny\rm slide}}$ has small improvements for the first 200 queries (around 30%), since the current design $p_{\mbox{\tiny\rm RITA}}^{\mbox{\tiny\rm curr}}$ is already tuned for the particular phase of the workload. However, as soon as the workload shifts to a different distribution, the output shows a considerable improvement of more than 60%. This can be viewed as a strong indication that a retuning of the system can yield significant performance improvements. The spike tapers off close to query $450$, since in this experiment the workload shifts back to its previous distribution and hence there is no benefit to changing the current design. RITA requires $1.2$ seconds on average to analyze each new query in this workload, and can thus generate an output that accurately reflects the actual workload. We conducted similar experiments with different values of the length of the sliding window and observed similar results. For instance, RITA takes at most $3$ seconds when the sliding window is set to $100$ statements. Elastic Retuning. After observing the monitoring output, the DBA can invoke the recommender module to examine different recommendations for retuning the system in an elastic fashion. The next set of experiments evaluate how fast RITA can generate these recommendations and also their quality. We employ a scenario that builds on the previous experiment on online monitoring. Specifically, we assume that the DBA invokes the recommender using the sliding window of 60 queries that corresponds to the spike in Figure 12. Moreover, the DBA specifies two dimensions of interest with respect to a new divergent design: the workload-evaluation cost and the cost of materializing the design. Also, the DBA wants to study the effect of shrinking and expanding the number of replicas. We assume that the DBA sets the probability of failure ($\alpha$) to be $0$ in order to allow RITA to execute fast and generate the output in a timely fashion. After inspecting the output, the DBA may invoke another (more expensive) tuning session for a specific choice of replicas (or routing multiplicity factor) and reconfiguration cost, and a non-zero $\alpha$. Our results in Figure 13 show that RITA can compute a divergent design that matches the same level of performance as the case for $\alpha=0$. Figures 12 shows the output of the recommender based on our testing scenario. Each point $(x,y)$ on the chart corresponds to a divergent design that requires $x$ cost units to materialize and whose $\mathit{ExpTotalCost}()$ is equal to $y$. The three curves labeled $N=z$, $z\in\\{2,3,4\\}$, represent divergent designs that employ $z$ replicas. We assume that $N=3$ is the current setting in the system, and hence $N=2$ (resp. $N=4$) represents dropping (resp. adding) a replica. The chart also shows the $\mathit{ExpTotalCost}()$ metric of the current design, for comparison. As shown, there are several options to significantly improve (by up to $7\times$) the performance of the current design. Moreover, the DBA obtains the following valuable information: there is a least materialization cost in order to get some improvement; designs that require more than 160 units of materialization cost offer diminishing returns for $N=3$ and $N=4$; and there is not much benefit to increasing the number of replicas, since $N=3$ and $N=4$ have virtually identical performance. Based on these data points, the DBA can make an informed decision about how to retune the divergent design in the system. RITA requires a total of $20$ seconds to generate the points in the chart. Note that the recommender does not have to initialize INUM for the training workload, as this initialization has already been performed inside the monitoring module. This short computation time facilitates an exploratory approach to index tuning. We employ another scenario that is similar to the previous one except that we assume the DBA wants to study the effect of using different values for the routing multiplicity factor, while keeping the number of replicas unchanged. Figure 12 shows the output of the recommender based on the above testing scenario. The three curves labeled $m=z$, $z\in\\{1,2,3\\}$, represent divergent designs that have the routing multiplicity factor $z$ (We assume that $m=2$ is the current setting in the system). We observe that designs that require more than 80 units of materialization cost when routing queries for $m=2$ has slightly better performance when routing queries for $m=1$. This result indicates that we can obtain designs with some flexibility in routing queries (i.e., $m=2$) and without sacrifying much in terms of performance as designs that have the most specialization (i.e., $m=1$). RITA requires a total of $10$ seconds to generate the points in the chart. ## 7 Conclusion In this paper, we introduced RITA, a novel index tuning advisor for replicated databases, that provides DBAs with a powerful tool for divergent index tuning. The key technical contribution of RITA is a reduction of the problem to a compact binary integer program, which enables the efficient computation of a (near-)optimal divergent design using mature, off-the-shelf software for linear optimization. Our experimental studies demonstrate that, compared to state-of-the-art solutions, RITA offers richer tuning functionality and is able to compute divergent designs that result in significantly better performance. ## References * [1] Amazon relational database service (amazon rds), http://aws.amazon.com/rds. * [2] P. Bernstein, I. Cseri, N. Dani, N. Ellis, A. Kalhan, G. Kakivaya, D. Lomet, R. Manne, L. Novik, and T. Talius. Adapting Microsoft SQL server for cloud computing. 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Partitioning techniques for fine-grained indexing. In ICDE, pages 1127–1138, 2011. * [18] D. C. Zilio, J. Rao, S. Lightstone, G. Lohman, A. Storm, C. Garcia-Arellano, and S. Fadden. DB2 Design Advisor: Integrated Automatic Physical Database Design. In VLDB, pages 1087–1097, 2004. ## Appendix A Proving Theorem 1 We reduce the original problem studied in [5] to ${\it DDT}$ by proving their equivalence when $\alpha=0$ and $C$ contains solely a space-budget constraint per replica. Since the original problem is NP-Hard, the same follows for ${\it DDT}$. The result in Lemma 1 (See below) is the key to prove their equivalence. It is important to note from Section 3.3 that in the general setting of DDT, $\mathit{h}_{0}(q)$ might not correspond to the $m$ replicas with the least evaluation cost for $q$. ###### Lemma 1 In the problem setting of ${\it DDT}$ when $\alpha=0$ and $C$ contains solely a space-budget constraint per replica, $\mathit{h}_{0}(q)$ corresponds to the $m$ replicas with the least evaluation cost for $q$. We prove Lemma 1 using contradiction. Assume that for some query $q$, there exist two replicas $r_{1}$ and $r_{2}$ such that $r_{1}\in\mathit{h}_{0}(q)$, $r_{2}\not\in\mathit{h}_{0}(q)$ and $cost(q,I_{r_{1}})>cost(q,I_{r_{2}})$. We then derive another routing function $\mathbf{h}^{\prime}$ that is similar to $\mathbf{h}$ except that $\mathit{h}_{0}^{\prime}$ is slightly modified as follows: $\mathit{h}_{0}^{\prime}(q)=\mathit{h}_{0}(q)\cup\\{r_{2}\\}-\\{r_{1}\\}$. Clearly, $\mathit{TotalCost}(\mathbf{I},\mathbf{h})>\mathit{TotalCost}(\mathbf{I},\mathbf{h}^{\prime})$. This contradicts to the requirement to minimize $\mathit{TotalCost}(\mathbf{I},\mathbf{h})$ in the problem setting of DDT. ## Appendix B Proving Theorem 2 We prove the theorem in two steps. First, we show that every divergent design $(\mathbf{I},\mathbf{h})$ corresponds to a value-assignment ${\bf v}$ for variables in the BIP such that ${\bf v}$ satisfies the constraints (Lemma 2). This property guarantees that the solution space of the BIP contains all possible solutions for the divergent design tuning problem. Subsequently, we prove that the optimal assignment ${\bf v}^{*}$ corresponds to a divergent design. Combining these two results, we can then conclude the correctness of the theorem (Lemma 3). To simplify the presentation and without loss of generality, we prove the theorem for the basic DDT when $\alpha=0$, $C=\emptyset$ and the workload comprises solely queries, i.e., $W=Q$. Given a valid-assignment ${\bf v}$, we use $BIPcost({\bf v})$ to denote the value of the objective function of the BIP under the assignment ${\bf v}$. ###### Lemma 2 For any divergent physical design $(\mathbf{I},\mathbf{h})$, there is an assignment ${\bf v}$ s.t. $\mathit{TotalCost}(\mathbf{I},\mathbf{h})=BIPcost({\bf v})$. ###### Lemma 3 Let ${\bf v^{*}}$ denote the solution to the BIP problem. Then, $\mathit{TotalCost}(\mathbf{I},\mathbf{h})=BIPcost({\bf v^{*}})$, where $(\mathbf{I},\mathbf{h})$ is the divergent design derived from ${\bf v^{*}}$. ### B.1 Proof of Lemma 2 Given a divergent design $(\mathbf{I},\mathbf{h})$ and for every query $q\in Q$, using the linear decomposability property, we can express the cost of $q$ at replica $r\in\mathit{h}_{0}(q)$ as: $cost(q,\mathit{I}_{r})=\beta_{p}+\sum_{i\in[1,n],a=Y[i]}\gamma_{pa}$ for some choice of $p=p^{r}\in\mathit{TPlans}(q)$ and $Y=Y^{p,r}\in\mathit{Atom}(\mathit{I}_{r})$. We assign the values for variables as follows. * • ${\bf v}(t^{r}_{q})=1$ if $r\in\mathit{h}_{0}(q)$, * • ${\bf v}(y^{r}_{p})=1$ if $p=p^{r}$, $r\in\mathit{h}_{0}(q)$, * • ${\bf v}(x^{r}_{pa})=1$ if $p=p^{r}$, $r\in\mathit{h}_{0}(q)$ and $a=Y^{p,r}[i]$, $i\in[1,n]$, * • ${\bf v}(s^{r}_{a})=1$ if $a\in I_{r}$, $r\in[1,N]$, and * • The other cases of variables are assigned value $0$ We observe that under this assignment, all constraints in the BIP are satisfied. For instance, since ${\bf v}(t^{r}_{q})=1$ when $r\in\mathit{h}_{0}(q)$ and $\mathit{h}_{0}(q)$ has $m$ values, it can be immediately derived that $\sum_{r\in[1,N]}t^{r}_{q}=m$, i.e., constraint (2) is satisfied. By eliminating terms with value $0$, we obtain the following results. $BIPCost({\bf v})=\sum_{q\in Q}\sum_{r\in\mathit{h}_{0}(q)}\frac{f(q)}{m}{\hat{{\mathit{cost}}}}(q,r)$ ${\hat{{\mathit{cost}}}}(q,r)=\beta_{p}+\sum_{i\in[1,n],a=Y[i]}\gamma_{pa},\mbox{ for }r\in\mathit{h}_{0}(q),p=p^{r},Y=Y^{p,r}\in\mathit{Atom}(\mathit{I}_{r})$ Thus, $BIPCost({\bf v})=\mathit{TotalCost}(\mathbf{I},\mathbf{h})$. ### B.2 Proof of Lemma 3 The following arguments are derived based on the assumption that ${\bf v^{*}}$ satisfies the BIP formulation. First, based on (2), we derive that for every query $q$, there exists a set $S_{q}=\\{r\ |\ r\in[1,N]\\}$ and $|S_{q}|=m$ such that ${\bf v^{*}}(t^{r}_{q})=1$ iff $r\in S_{q}$. Second, based on (4), we derive that for every query $q$ and every $r\in S_{q}$, there exists exactly one plan $p=p^{r}\in\mathit{TPlans}(q)$ such that ${\bf v^{*}}(y^{r}_{p})=1$. Third, based on (6), there exists an atomic configuration $Y^{p,r}$, $r\in S_{q}$, $p=p^{r}$ that corresponds to the assignments for ${\bf v}(x^{r}_{pa})$. Finally, we prove that $p^{r}$ and $Y^{p,r}$, $r\in S_{q}$, correspond to the choice of plan $p$ and atomic configuration $Y$ that yields the minimum value of $cost(q,\mathit{I}_{r})$, by using contradiction. Combining these results, we conclude that $BIPCost({\bf v^{*}})=\mathit{TotalCost}(\mathbf{I},\mathbf{h})$. Suppose that there exists a different choice $p^{c}\in\mathit{TPlans}(q)$ and $Y^{c}\in\mathit{Atom}(\mathit{I}_{r})$, $r\in S_{q}$, such that $cost(q,p^{c},Y^{c})<cost(q,p^{r},Y^{p,r}$). Here, we use $cost(q,p,Y)$ denote the cost of $q$ using the template plan $p$ and the atomic configuration $Y$. We can now derive an alternative assignment ${\bf v^{c}}$ that is similar to ${\bf v^{*}}$ except the followings: * • Variables corresponding to $p^{r}$ and $Y^{p,r}$ are assigned value $0$, and * • ${\bf v}(y^{r}_{p})=1$ if $p=p^{c}$, $r\in S_{q}$, and * • ${\bf v}(x^{r}_{pa})=1$, if $p=p^{c}$, $r\in S_{q}$ and $a=Y^{c}[i]$, $i\in[1,n]$. We observe that ${\bf v^{c}}$ is a valid constraint-assignment for the formulated BIP. However, since $BIPcost({\bf v^{c}})<BIPcost({\bf v^{*}})$, this contradicts our assumption about the optimality of ${\bf v^{*}}$. ## Appendix C Factoring Failures In this section, we present the full details of how RITA integrates failures into the BIP. Under our assumption of using fast what-if optimization, the cost of a query $q$ in some replica $r$ can be expressed as ${\mathit{cost}}(q,I_{r})={\mathit{cost}}(p^{\prime},A^{\prime})$ for some choice of $p^{\prime}\in\mathit{TPlans}(q)$ and an atomic configuration $A^{\prime}\in\mathit{Atom}(I_{r})$ We introduce the following additional variables. * • $t^{r,j}_{q}=1$ if and only if $q$ is routed to replica $r$ when $j$ fails, i.e., $\mathit{h}_{j}(q)=\\{r\ |\ t^{r,j}_{q}=1\\}$ * • $x^{r,j}_{pa}=1$ if and only if $q$ is routed to replica $r$ when $j$ fails, $p=p^{\prime}$ and $a\in A^{\prime}$. * • $y^{r,j}_{p}=1$ if and only if $q$ is routed to replica $r$ when $j$ fails, $p=p^{\prime}$. We also need to add a new set of constraints, as given in Figure 13. These constraints are very similar to their counterparts in Figure 2. The correctness of the BIP is proven in the same way as presented in Appendix B. $\mathit{FTotalCost}(\mathbf{I},\mathbf{h},j)=\sum_{q\in Q}\sum_{r\in[1,N]\wedge r\neq j}\frac{f(q)}{\max{m,N-1}}{\hat{{\mathit{cost}}}}(q,r,j)$ ${\hat{{\mathit{cost}}}}(q,r,j)=\sum_{p\in\mathit{TPlans}(q)}\beta_{p}y^{r,j}_{p}+\sum_{\begin{subarray}{c}p\in\mathit{TPlans}(q)\\\ a\in{\cal S}\cup\\{\mbox{\tiny\rm SCAN}_{\tiny 1}\\}\cup\cdots\cup\\{\mbox{\tiny\rm SCAN}_{\tiny n}\\}\end{subarray}}\gamma_{pa}x^{r,j}_{pa},\begin{subarray}{c}\forall r\in[1,N],\\\ \forall q\in Q\cup Q_{upd}\end{subarray}$ (10) such that: $\sum_{r\in[1,N]}t^{r,j}_{q}=\max\\{N-1,m\\},\forall q\in Q$ (11) $\sum_{p\in\mathit{TPlans}(q)}y^{r,j}_{p}=t^{r,j}_{q},\ \ \ \forall q\in Q\cup Q_{upd}$ (12) $s^{r}_{a}\geq x^{r,j}_{pa},\ \ \ \forall q\in Q\cup Q_{upd},p\in\mathit{TPlans}(q),\ a\in{\cal S}$ (13) $\sum_{a\in{\cal S}_{i}\cup\\{\mbox{\tiny\rm SCAN}_{\tiny i}\\}}x^{r,j}_{pa}=y^{r,j}_{p},\ \ \begin{subarray}{c}\forall q\in Q\cup Q_{upd},p\in\mathit{TPlans}(q),\\\ i\in[1,n],\ T_{i}\mbox{ is referenced in q}\end{subarray}$ (14) Figure 13: Augmented BIP to handle failures. ## Appendix D Bounding Load-skew ### D.1 Additional Constraints for Exact Solution This section presents the set of constraints that RITA formulates in order to ensure the optimality of ${\hat{{\mathit{cost}}}}(q,r)$ with the presence of bounding load-skew constraints. RITA introduces a new cost formula $\mathit{cost^{opt}}(q,r)=cost(q,I_{r})$ for $r\in[1,N]$. The formula of $\mathit{cost^{opt}}(q,r)$ is very similar to $cost(q,r)$; the variables $\mathit{yo}^{r}_{p}$ (resp. $\mathit{xo}^{r}_{pa}$) have the same meaning with $y^{r}_{p}$ (resp. $x^{r}_{pa}$). The main difference is that for $r\not\in\mathit{h}_{0}(q)$, we have ${\hat{{\mathit{cost}}}}(q,r)=0$ whereas $\mathit{cost^{opt}}(q,r)=cost(q,I_{r})>0$. The atomic constraint in (16) are somehow similar to the atomic constraints on $cost(q,r)$. Note that in (16a), the constraint requires exactly one template plan to be chosen to compute $\mathit{cost^{opt}}(q,r)$ in order for this value corresponds to the query execution cost of $q$ on replica $r$. $\mathit{cost^{opt}}(q,r)=\sum_{p\in\mathit{TPlans}(q)}\beta_{p}\mathit{yo}^{r}_{p}+\sum_{\begin{subarray}{c}p\in\mathit{TPlans}(q)\\\ a\in{\cal S}\cup\\{\mbox{\tiny\rm SCAN}_{\tiny 1}\\}\cup\cdots\cup\\{\mbox{\tiny\rm SCAN}_{\tiny n}\\}\end{subarray}}\gamma_{pa}\mathit{xo}^{r}_{pa},\begin{subarray}{c}\forall q\in Q\cup Q_{upd}\\\ \forall r\in[1,N]\end{subarray}$ (15) $\displaystyle\sum_{p\in\mathit{TPlans}(q)}\mathit{yo}^{r}_{p}$ $\displaystyle=1$ (16a) $\displaystyle\sum_{a\in{\cal S}_{i}\cup\\{\mbox{\tiny\rm SCAN}_{\tiny i}\\}}\mathit{xo}^{r}_{pa}$ $\displaystyle=\mathit{yo}^{r}_{p},\ \ \begin{subarray}{c}\forall p\in\mathit{TPlans}(q)\\\ \forall i\in[1,n]\wedge\ T_{i}\mbox{ is referenced in q}\end{subarray}$ (16b) $\mathit{cost^{opt}}(q,r)\leq\beta_{p}+\sum_{\begin{subarray}{c}i\in[1,n]\\\ a\in{\cal S}\cup\\{\mbox{\tiny\rm SCAN}_{\tiny 1}\\}\cup\cdots\cup\\{\mbox{\tiny\rm SCAN}_{\tiny n}\\}\end{subarray}}\gamma_{pa}u^{r}_{pa},\ \ \forall p\in\mathit{TPlans}(q)$ (17) $\displaystyle\sum_{a\in{\cal S}_{i}\cup I_{\emptyset}}u^{r}_{pa}$ $\displaystyle=1,\ \ \begin{subarray}{c}\forall t\in[1,K_{q}],\\\ \forall i\in[1,n]\ \wedge\ T_{i}\mbox{ is referenced in q}\end{subarray}$ (18a) $\displaystyle u^{r}_{pa}$ $\displaystyle\leq s^{r}_{a},\forall p\in\mathit{TPlans}(q)\wedge a\in{\cal S}$ (18b) $\sum_{b\in{\cal S}_{i}\cup I_{\emptyset}\ \wedge\ \gamma_{pa}\geq\gamma_{pb}}u^{r}_{pb}\geq s^{r}_{a},\ \ \forall p\in\mathit{TPlans}(q),i\in[1,n],a\in{\cal S}_{i}$ (19) Figure 14: Query-Optimal Constraints To establish the optimal cost constraints, we use the following alternative way to compute $cost(q,X)$. For each internal plan cost $\beta_{p}$, $p\in\mathit{TPlans}(q)$, we first derive a “local” optimal cost, referred to as $C^{local}_{t}$, which is the smallest cost that can be obtained by “plugging” all possible atomic configurations $A\in\mathit{Atom}(X)$ into the slot of the template plan of $\beta_{p}$. Essentially, $C^{local}_{t}=\beta_{p}+I^{local}_{p}$, where $I^{local}_{p}$ is the smallest value of the total access cost using some atomic-configuration $A\in\mathit{Atom}(X)$ to plug into the template plan of $\beta_{p}$. To obtain $I^{local}_{p}$, for each slot in the internal plan of $\beta_{p}$, we enumerate all possible indexes in $X$ that can be “plugged” into, and find the one that yields the smallest access cost to sum up into $I^{local}_{p}$. Lastly, $cost_{q}(X)$ is then obtained as the smallest value among the derived $C^{local}_{p}$ with $p\in\mathit{TPlans}(q)$. The right hand-side of (17) is the formula of $C^{local}_{p}$. Here, we introduce variables $u^{r}_{pa}$; where $u^{r}_{pa}=1$ iff the index $a$ is used at slot $i$ in the template plan $\beta_{p}$ to compute $C^{local}_{p}$. For $C^{local}_{p}$ to correspond to some atomic configuration, we impose the constraint in (18a). Furthermore, an index $a$ can be used in $C^{opt}_{p}$ if and only if $a$ is recommended at replica $r$ (constraint (18b)). The constraint (19) ensures that the candidate index with the smallest access cost is selected to plug into each slot of $\beta_{t}$ in computing $I^{local}_{t}$. ### D.2 Greedy Approach This section presents our proposal of a greedy scheme that trade-offs the quality of the design for the efficiency. First, we derive an optimal design $(\mathbf{I}_{opt},\mathbf{h}_{opt})$ assuming there is no load imbalance constraint and the probability of failure is $0$. We then compute an approximation factor $\beta=\frac{{\tau}-1}{1+(N-1){\tau}}$. and add the following constraint into the BIP. $\mathit{load}(\mathbf{I},\mathbf{h},r)\leq\frac{(1+\beta)\mathit{TotalCost}(\mathbf{I}_{opt},\mathbf{h}_{opt})}{N},\forall r\in[1,N]$ (20) This constraint is an easy constraint, as its right handside is a constant. We prove that if the BIP solver can find a solution for the modified BIP, the returned solution is a valid solution and has $\mathit{TotalCost}(\mathbf{I},\mathbf{h})$ bounded as the following theorem shows. ###### Theorem 3 The divergent design returned by the greedy solution satisfies all constraints in DDT problem and has $\mathit{TotalCost}(\mathbf{I},\mathbf{h})\leq(1+\beta)\mathit{TotalCost}(\mathbf{I}_{opt},\mathbf{h}_{opt})$. $\Box$ ###### Proof D.4. We overload $I_{opt}$ (resp. $\mathbf{I}$) to refer to the total cost of the design $I_{opt}$ (resp. $\mathbf{I}$) as well. The maximum load of a replica in $\mathbf{I}$ is $\frac{(1+\beta)I_{opt}}{N}$ (due to the constraint 20). By summing up the load of all replicas in $\mathbf{I}$, we obtain: $\mathbf{I}\leq(1+\beta)I_{opt}$. Therefore, $\mathbf{I}$ differs from $I_{opt}$ by an approximation ratio $(1+\beta)$. All remaining issue is to prove that $\mathbf{I}$ satisfies the load-imbalance constraint. Without loss of generality, assume that $load(1,\mathbf{I})\leq load(j,\mathbf{I})$, $\forall j\in[2,N]$. Since $\mathbf{I}$ is load-imbalance, we can derive the followings: $\displaystyle\mathbf{I}=\sum_{j\in[2,N]}\mathit{load}(j,\mathbf{I})+\mathit{load}(1,\mathbf{I})$ (21a) $\displaystyle\frac{(1+\beta)I_{opt}}{N}\geq\mathit{load}(j,\mathbf{I})$ (21b) $\displaystyle\frac{(N-1)}{N}(1+\beta)I_{opt}+load(1,\mathbf{I})\geq\mathbf{I}$ (21c) $\displaystyle\mathbf{I}\geq I_{opt}$ (21d) $\displaystyle load(1,\mathbf{I})\geq\left(1-\frac{(N-1)}{N}(1+\alpha)\right)I_{opt}$ (21e) The maximum load in $\mathbf{I}$ is $\frac{1}{N}(1+\alpha)I_{opt}$ and the minimum load is $\left(1-\frac{(N-1)}{N}(1+\alpha)\right)I_{opt}$. Therefore, the load-imbalance factor of $\mathbf{I}$ is $\frac{1+\beta}{1-(N-1)\alpha}$. By replacing the value of $\beta$, we obtain the load-imbalance factor ${\tau}$. Note that this greedy scheme does not encounter the aforementioned problem with ${\hat{{\mathit{cost}}}}(q,r)$ not to be equal to $cost(q,I_{r})$. Informally, the reason is due to the fact that the right hand-side of the inequality constraint in (20) is a constant. ### D.3 Additional Experimental Results This section presents the comparison between RITA, DivgDesign and Unif when we vary the routing multiplicity factor. Figure 15 presents one representative result when we vary this factor on $\mathit{TPCDS\mbox{-}query}$ workload with $b=0.5\times$ and $N=3$. As expected, when the value of $m$ increases, the total cost of ${p_{\mbox{\tiny\rm RITA}}}$ and ${p_{\mbox{\tiny\rm DD}}}$ increase, since queries need to be sent to more places. Note that the cost of ${p_{\mbox{\tiny\rm UNIF}}}$ remains the same, as all replicas have the same index configuration under UNIF design. Also, when $m=N$, the total costs of ${p_{\mbox{\tiny\rm DD}}}$ and ${p_{\mbox{\tiny\rm UNIF}}}$ are the same, since DivgDesign needs to send every query to every replica, and it uses the same black-box design advisor as Unif to compute the recommended index-set at each replica. We observe that in all cases, RITA significantly outperforms DivgDesign and Unif. The reason can be again attributed to the fact that RITA searches a considerably larger space of possible designs. Figure 15: Varying the routing multiplicity factor on $\mathit{TPCDS\mbox{-}query}$ workload
arxiv-papers
2013-04-04T15:54:48
2024-09-04T02:49:43.896098
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Quoc Trung Tran, Ivo Jimenez, Rui Wang, Neoklis Polyzotis, Anastasia\n Ailamaki", "submitter": "Quoc Trung Tran", "url": "https://arxiv.org/abs/1304.1411" }
1304.1829
ON DOUBLE 3-TERM ARITHMETIC PROGRESSIONS Tom Brown Department of Mathematics, Simon Fraser University, Burnaby, B.C., Canada [email protected] Veselin Jungić Department of Mathematics, Simon Fraser University, Burnaby, B.C., Canada [email protected] Andrew Poelstra Department of Mathematics, Simon Fraser University, Burnaby, B.C., Canada [email protected] Abstract In this note we are interested in the problem of whether or not every increasing sequence of positive integers $x_{1}x_{2}x_{3}\cdots$ with bounded gaps must contain a double 3-term arithmetic progression, i.e., three terms $x_{i}$, $x_{j}$, and $x_{k}$ such that $i+k=2j$ and $x_{i}+x_{k}=2x_{j}$. We consider a few variations of the problem, discuss some related properties of double arithmetic progressions, and present several results obtained by using RamseyScript, a high-level scripting language. ## 1 Introduction In 1987, Tom Brown and Allen Freedman ended their paper titled Arithmetic progressions in lacunary sets [Brown and Freedman 1987] with the following conjecture. ###### Conjecture 1. Let $(x_{i})_{i\geq 1}$ be a sequence of positive integers with $1\leq x_{i}\leq K$. Then there are two consecutive intervals of positive integers $I,J$ of the same length, with $\sum_{i\in I}x_{i}=\sum_{j\in J}x_{j}$. Equivalently, if $a_{1}<a_{2}<\cdots$ satisfy $a_{n+1}-a_{n}\leq K$, for all $n$, then there exist $i<j<k$ such that $i+k=2j$ and $a_{i}+a_{k}=2a_{j}$. If true, Conjecture 1 would imply that if the sum of the reciprocals of a set $A=\\{a_{1}<a_{2}<a_{3}<\cdots\\}$ of positive integers diverges, and $a_{n+1}-a_{n}\rightarrow\infty$ as $n\rightarrow\infty$, and there exists $K$ such that $a_{i+1}-a_{i}\leq a_{j+1}-a_{j}+K$ for all $1\leq i\leq j,$ then $A$ contains a 3-term arithmetic progression. This is a special case of the famous Erdős conjecture that if the sum of the reciprocals of a set $A$ of positive integers diverges, then $A$ contains arbitrarily long arithmetic progressions. Conjecture 1 is a well-known open question in combinatorics of words and it is usually stated in the following form: > Must every infinite word on a finite alphabet consisting of positive > integers contain an additive square, i.e., two adjacent blocks of the same > length and the same sum? The answer is trivially yes in case the alphabet has size at most 3. For more on this question see, for example, [Au et al. 2011, Freedman 2013+], [Grytczuk 2008]. Also see [Halbeisen and Hungerb$\ddot{\text{u}}$hler 2000], [Pirillo and Varricchio 1994] and [Richomme et al. 2011]. We mention two relatively recent positive results. Freedman [Freedman 2013+] has shown that if $a<b<c<d$ satisfy the Sidon equation $a+d=b+c$, then every word on $\\{a,b,c,d\\}$ of length 61 contains an additive square. His proof is a clever reduction of the general problem to several cases that are then checked by computer. Ardal, Brown, Jungić, and Sahasrabudhe [Ardal et al. 2012] proved that if an infinite word $\omega=a_{1}a_{2}a_{3}\cdots$ has the property that there is a constant $M$, such that for each positive integer $n$ the number of possible sums of $n$ consecutive terms in $\omega$ does not exceed $M$, then for each positive integer $k$ there is a $k$-term arithmetic progression $\\{m+id:i=0,\cdots,k-1\\}$ such that $\sum_{i=m+1}^{m+d}a_{i}=\sum_{i=m+d+1}^{m+2d}a_{i}=\cdots=\sum_{i=m+(k-2)d+1}^{m+(k-1)d}a_{i}.$ The proof of this fact is based on van der Waerden’s theorem [van der Waerden 1927]. This note is inspired by the second statement in Conjecture 1. Before restating this part of the conjecture we introduce the following terms. We say that an increasing sequence of positive integers $a_{1},a_{2},a_{3},\dots$ has bounded gaps if there is a constant $K$ such that $a_{n+1}-a_{n}\leq K$ for all positive integers $n$. We say that an increasing sequence of positive integers $a_{1},a_{2},a_{3},\dots$ contains a double $k$-term arithmetic progression if there are $p_{1}<p_{2}<\cdots<p_{k}$ such that both $\\{a_{p_{1}},a_{p_{2}},\dots,a_{p_{k}}\\}$ and $\\{p_{1},p_{2},\dots,p_{k}\\}$ are arithmetic progressions. ###### Problem 1. Does every increasing sequence of positive integers with bounded gaps contain a double 3-term arithmetic progression? It is straightforward to check that Problem 1 is equivalent to the question above concerning additive squares: Given positive integers $K$ and $a_{1}<a_{2}<a_{3}<\cdots$, with $a_{i+1}-a_{i}\leq K$ for all $i\geq 1,$ let $x_{i}=a_{i+1}-a_{i},\ i\geq 1.$ Then $x_{1}x_{2}x_{3}\cdots$ is an infinite word on a finite alphabet of positive integers. Given an infinite word $x_{1}x_{2}x_{3}\cdots$ on a finite alphabet of positive integers, define $a_{1},a_{2},a_{3},\ldots$ recursively by $a_{1}\in\mathbb{N},a_{i+1}=x_{i}+a_{i},\ i\geq 1.$ Then $a_{1}<a_{2}<a_{3}<\cdots$, and $a_{i+1}-a_{i}\leq K$ for some $K$ and all $i\geq 1.$ In both cases, an additive square in $x_{1}x_{2}x_{3}\cdots$ corresponds exactly to a double 3-term arithmetic progression in $a_{1}<a_{2}<a_{3}<\cdots$. The existence of an infinite word on four integers with no additive cubes, i.e., with no three consecutive blocks of the same length and the same sum, established by Cassaigne, Currie, Schaeffer, and Shallit [Cassaigne et al. 2013+], translates into the fact that there is an increasing sequence of positive integers with bounded gaps with no double 4-term arithmetic progression. But what about a double variation on van der Waerden’s theorem? ###### Problem 2. If the set of positive integers is finitely colored, must there exist a color class, say $A=\\{a_{1}<a_{2}<a_{3}<\cdots\\}$ for which there exist $i<j<k$ with $a_{i}+a_{k}=2a_{j}$ and $i+k=2j$? We have just seen that an affirmative answer to Problem 1 gives an affirmative answer to the question concerning additive squares. It is also true that an affirmative answer to Problem 1 implies an affirmative answer to Problem 2. ###### Proposition 1. Assume that every increasing sequence of positive integers $x_{1}x_{2}x_{3}\cdots$ with bounded gaps contains a double 3-term arithmetic progression. Then if the set of positive integers is finitely colored, there must exist a color class, say $A=\\{a_{1}<a_{2}<a_{3}<\cdots\\}$, which contains a double 3-term arithmetic progression. ###### Proof. We use induction on the number of colors, denoted by $r$. For $r=1$ the conclusion trivially follows. Now assume that for every $r$-coloring of $\mathbb{N}$ there exists a color class which contains a double 3-term arithmetic progression. By the Compactness Principle there exists $M\in\mathbb{N}$ such that every $r$-coloring of $[1,M]$ (or of any translate of $[1,M]$) yields a monochromatic double 3-term arithmetic progression. Assume now that there is an $(r+1)$-coloring of $\mathbb{N}$ for which there does not exist a monochromatic double 3-term arithmetic progression. Let the $(r+1)$st color class be $C(r+1)=\\{x_{1}<x_{2}<\cdots\\}.$ By the induction hypothesis on $r$ colo rs, $C(r+1)$ is infinite. By the assumption that every increasing sequence of positive integers $x_{1}x_{2}x_{3}\cdots$ with bounded gaps contains a double 3-term arithmetic progression, $C(r+1)$ does not have bounded gaps. In particular, there is $p\geq 1$ such that $x_{p+1}-x_{p}\geq M+2.$ But then the interval $[x_{p}+1,x_{p+1}-1]$ contains a translate of $[1,M]$ and is colored with only $r$ colors, so that $[x_{p}+1,x_{p+1}-1]$ does contain a monochromatic double 3-term arithmetic progression. This contradiction completes the proof. ∎ More generally, if the set of positive integers is finitely colored and if each color class is regarded as an increasing sequence, must there be a monochromatic double $k$-term arithmetic progression, for a given positive integer $k$? What if the gaps between consecutive elements colored with same color are pre-prescribed, say at most 4 for the first color, at most 6 for the second color, and at most 8 for the third color, and so on? In the spirit of van der Waerden’s numbers $w(r,k)$ [Graham et al. 1990] we define the following. ###### Definition 1. For given positive integers $r$ and $k$ greater than 1, let $w^{\ast}(r,k)$ be the least integer, if it exists, such that for any $r$-coloring of the interval $[1,w^{\ast}(r,k)]$ there is a monochromatic double $k$-term arithmetic progression. For given positive numbers $r$, $k$, $a_{1},a_{2},\ldots,a_{r}$ let $w^{\ast}(k;a_{1},a_{2},\ldots,a_{r})$ be the least integer, if it exists, such that for any $r$-coloring of the interval $[1,w^{\ast}(k;a_{1},a_{2},\ldots,a_{r})]=A_{1}\cup A_{2}\cup\cdots\cup A_{r}$ such that for each $i$ the gap between any two consecutive elements in $A_{i}$ is not greater than $a_{i}$, there is a monochromatic double $k$-term arithmetic progression. We will show that $w^{\ast}(2,3)$ is relatively simple to obtain. We will give lower bounds for $w^{\ast}(3,3)$ and $w^{\ast}(4,2)$ and a table with values of $w^{\ast}(3;a_{1},a_{2},a_{3})$ for various triples $(a_{1},a_{2},a_{3})$ and propose a related conjecture. We will share with the reader some insights related to the general question about the existence of double 3-term arithmetic progressions in increasing sequences with bounded gaps. Finally, we will describe RamseyScript, a high-level scripting language developed by the third author that was used to obtain the colorings and bounds that we have established. ## 2 $w^{\ast}(r,3)$ Now we look more closely at $w^{\ast}(r,3),$ the least integer, if it exists, such that for every $r$-coloring of the interval $[1,w^{\ast}(r,3)]$ there is a monochromatic double 3-term arithmetic progression. Suppose that $w^{\ast}(r,3)$ does not exist for some $r$, but $w^{\ast}(r-1,3)$ does exist. Then, by the Compactness Principle, there is a coloring of the positive integers with $r$ colours, say with colour classes $A_{1},A_{2},\ldots,A_{r}$, such that no colour class contains a double 3-term arithmetic progression. Then (a) $A_{1}$ contains no double 3-term arithmetic progression, (b) $A_{1}$ has bounded gaps because $w^{\ast}(r-1,3)$ exists, and (c) $A_{1}$ is infinite, because $w^{\ast}(r-1,3)$ exists. Let $d_{1},d_{2},\ldots$ be the sequence of consecutive differences of the sequence $A_{1}$. That is, if $A_{1}=\\{a_{1},a_{2},a_{3},\ldots\\}$ then $d_{n}=a_{n}-a_{n-1}$, $n\geq 1$. Then the sequence $d_{1},d_{2},\ldots$ is a sequence on a finite set of integers which does not contain any additive square. Thus if there exists $r$ such that $w^{\ast}(r,3)$ does not exist, then there exists a sequence on a finite set of integers which does not contain an additive square. It is conceivable that proving that $w^{\ast}(r,3)$ does not exist for all $r$ (if this is true!) is easier than directly proving the existence of a sequence on a finite set of integers with no additive square. ###### Theorem 1. $w^{\ast}(2,3)=17$. ###### Proof. Color $[1,m]$ with two colors, with no monochromatic double 3-term arithmetic progressions. Then the first color class must have gaps of either 1, 2, or 3. Thus the sequence of gaps of the first color class is a sequence of 1s, 2s, and 3s, and this sequence must have length at most 7, otherwise there is an additive square, which would give a double 3-term arithmetic progression in the first color class. Hence, the first colour class can contain at most 8 elements (only 7 consecutive differences) and similarly for the second colour class. This shows that $w^{\ast}(2,3)\leq 8+8+1=17$. On the other hand, the following 2-coloring of $[1,16]$ has no monochromatic double 3-term arithmetic progression: $0010110100101101.$ Hence $w^{\ast}(2,3)=17$. ∎ ###### Theorem 2. $w^{\ast}(3,3)\geq 414$. The following 3-coloring of $[1,413]$ avoids monochromatic 3-term double arithmetic progressions: $\begin{array}[]{l}0101102210100201200100221221010010220010112011211202210112122112202210\\\ 0110010220201122022002202001012212112122001001120121100110020022002110\\\ 2001101001121120210020011210201121122112122010110100110102201220201221\\\ 1210021122112122112200110011212200202202001212212112212200110010110012\\\ 0211212200220100112202200220200122102212211211002101220022001001100221\\\ 211010010110020022110010110010221211020220200220221001122011211.\\\ \end{array}$ This coloring is the result of about 8 trillion iterations of RamseyScript, using the Western Canada Research Grid111http://www.westgrid.ca. We started with a seed 3-coloring of the interval $[1,61]$ and searched the entire space of extensions. Figure 1 gives the number of double 3-AP free extensions of the seed coloring versus their lengths. Figure 1: Number of double 3-AP free extensions versus length To get more information about $w^{\ast}(3,3)$ we define $w^{\ast}(3,3;d)$ to be the smallest $m$ such that whenever $[1,m]$ is 3-coloured so that each colour class has maximum gap at most $d$, then there is a monochromatic double 3-term arithmetic progression. Our goal was to compute $w^{\ast}(3;3;d)$ for small values of $d$. (See Table 1.) | | $w^{\ast}(3,3;d)$ ---|---|--- Max gap $d$ | 2 | 11 3 | 22 4 | 39 5 | 100 6 | $>152$ 7 | ? Table 1: Known Values of $w^{\ast}(3,3;d)$ We note that $w^{\ast}(3,3;d)$ is already difficult to compute when $d$ is much smaller than $w^{\ast}(2,3)=17$. (In a 3-coloring containing no monochromatic double 3-term arithmetic progression the maximum gap size of any color class is 17.) Freedman [Freedman 2013+] showed that there were 16 double 3-AP free 51-term sequences having the maximum gap of at most $4$. The fact that $w^{\ast}(3,3;4)=39$ is an interesting contrast, and shows that considering a single sequence instead of partitioning an interval of positive integers into three sequences is somewhat less restrictive. ###### Theorem 3. $w^{\ast}(2,4)\geq 30830$. Starting with the seed 2-coloring $[1,10]=\\{1,4,6,7\\}\cup\\{2,3,5,8,9,10\\}$, after $2\cdot 10^{8}$ iterations RamseyScript produced a double 4-AP free 2-coloring of the interval $[1,30829]$ that is available at the web page people.math.sfu.ca/ vjungic/Double/w-4-2.txt. ## 3 $w^{\ast}(3;a,b,c)$ and $w^{\ast}(k;a,b)$ Recall that $w^{\ast}(3;a,b,c)$ is the least number such that every 3-coloring of$[1,w^{\ast}(3;a,b,c)]$, with gap sizes on the three colors restricted to $a$, $b$, and $c$, respectively, has a monochromatic double 3-term arithmetic progression. Similarly, $w^{\ast}(k;a,b)$ is the least number such that every 2-coloring of $[1,w^{\ast}(k;a,b)]$, with gap sizes on the two colors restricted to $a$ and $b$, respectively, has a monochromatic double $k$-term arithmetic progression. Table 2 shows values of $w^{\ast}(3;a,b,c)$ for some small values of $a$, $b$, and $c$. Table 3 shows values of $w^{\ast}(k;a,b)$ for some small values of $a$, $b$, and $k$. | | Max Green Gaps ---|---|--- | | 3 | 4 | 5 | 6 | 7+ Max Blue Gaps | 3 | 22 | | | | 4 | 31 | 31 | | | 5 | 33 | 38 | 43 | | 6 | 33 | 41 | 44 | 45 | 7 | 33 | 41 | 46 | 46 | 46 8+ | 33 | 41 | 46 | 46 | 47 Max Red Gap 3 | | Max Green ---|---|--- | | 5 | 6 | 7 | 8+ Max Blue | 5 | 100 | | | 6 | $>113$ | $>133$ | | 7 | ? | ? | ? | 8+ | ? | ? | ? | ? Max Red Gap 5 | | Max Green Gaps ---|---|--- | | 4 | 5 | 6 | 7 | 8 | 9+ Max Blue Gaps | 4 | 39 | | | | | 5 | 49 | 63 | | | | 6 | 56 | 79 | 91 | | | 7 | 76 | 96 | $>$105 | $>$121 | | 8 | 81 | 96 | $>$114 | $>$131 | $>$131 | 9 | 81 | 96 | $>$114 | $>$133 | $>$133 | $>$133 10 | 81 | 96 | $>$114 | $>$133 | $>$135 | $>$135 11+ | 81 | 97 | $>$114 | $>$133 | $>$135 | $>$135 Max Red Gap 4 Table 2: Known Values and Bounds for $w^{\ast}(3;a,b,c)$ | | Red ---|---|--- | | 2 | 3 Blue | 2 | 7 | 3 | 11 | 17 Double 3-AP’s | | Red ---|---|--- | | 2 | 3 | 4+ Blue | 2 | 11 | | 3 | 22 | $>176$ | 4+ | 22 | $>2690$ | $>3573$ Double 4-AP’s | | Red ---|---|--- | | 2 | 3 | 4 | 5+ Blue | 2 | 15 | | | 3 | 37 | $>131000$ | | 4 | $>25503$ | ? | ? | | 5+ | $>33366$ | ? | ? | ? Double 5-AP’s Table 3: Known Values and Bounds for $w^{\ast}(k;a,b)$ Based on this evidence, we propose the following conjecture. ###### Conjecture 2. The number $w^{*}(3,3)$ exists. The number $w^{*}(2,4)$ does not exist. Our guess would be that $w^{*}(3,3)<500$. Also we recall that $w^{*}(2,3)=17$ and $w^{\ast}(2,4)\geq 30830$. ## 4 Double 3-term Arithmetic Progressions in Increasing Sequences of Positive Integers In this section, we return to Problem 1: the existence of double 3-term arithmetic progressions in infinite sequences of positive integers with bounded gaps. We remind the reader of the meaning of the following terms from combinatorics of words. An infinite word on a finite subset $S$ of $\mathbb{Z}$, called the alphabet, is defined as a map $\omega:\mathbb{N}\to S$ and is usually written as $\omega=x_{1}x_{2}\cdots,$ with $x_{i}\in S$, $i\in\mathbb{N}$. For $n\in\mathbb{N}$, a factor $B$ of the infinite word $\omega$ of length $n=|B|$ is the image of a set of $n$ consecutive positive integers by $\omega$, $B=\omega(\\{i,i+1,\cdots,i+n-1\\})=x_{i}x_{i+1}\cdots x_{i+n-1}$. The sum of the factor $B$ is $\sum B=x_{i}+x_{i+1}+\cdots+x_{i+n-1}$. A factor $B=\omega(\\{1,2,\cdots,n\\})=x_{1}x_{2}\cdots x_{n}$ is called a prefix of $\omega$. ###### Theorem 4. The following statements are equivalent: * (1) For all $k>1$, every infinite word on $\\{1,2,\cdots,k\\}$ has two adjacent factors with equal length and equal sum. * (1a) For all $k>1$, there exists $R=R(k)$ such that every word on $\\{1,2,\cdots,k\\}$ of length $R$ has two adjacent factors with equal length and equal sum. * (2) For all $n>1$, if $x_{1}<x_{2}<x_{3}<\cdots$ is an infinite sequence of positive integers such that $x_{i+1}-x_{i}\leq n$ for all $i>1$, then there exist $1\leq i<j<k$ such that $x_{i}+x_{k}=2x_{j}$ and $i+k=2j$. * (2a) For all $n>1$, there exists $S=S(n)$ such that if $x_{1}<x_{2}<x_{3}<\cdots<x_{S}$ are positive integers with $x_{i+1}-x_{i}\leq n$ whenever $1\leq i\leq S-1$, then there exist $1\leq i<j<k\leq S$ such that $x_{i}+x_{k}=2x_{j}$ and $i+k=2j$. * (3) For all $t>1$, if $\mathbb{N}=A_{1}\cup A_{2}\cup\cdots\cup A_{t}$, then there exists $q$, $1\leq q\leq t$, such that if $A_{q}=\\{x_{1}<x_{2}<\cdots\\}$, there are $1\leq i<j<k$ such that $x_{i}+x_{k}=2x_{j}$ and $i+k=2j$. * (3a) For all $t>1$, there exists $T=T(t)$ such that for all $a>1$, if $\\{a,a+1,\cdots,a+T-1\\}=A_{1}\cup A_{2}\cup\cdots\cup A_{t}$, then there exists $q$, $1\leq q\leq t$, such that if $A_{q}=\\{x_{1}<x_{2}<\cdots<x_{p}\\}$, there are $1\leq i<j<k$ such that $x_{1}+x_{k}=2x_{j}$ and $i+k=2j$. ###### Remark 1. Note that in (3) and (3a) the statements concern coverings (by not necessarily disjoint sets) and not partitions (colorings). This turns out to be essential, since if we used colorings in (3) and (3a) (call these new statements (3’) and (3a’)), then (3’) would not imply (2), although (2) would still imply (3a’). This can be seen from the proofs below. ###### Remark 2. In each case $i=1,2,3$, the statement (ia) is the finite form of the statement (i). ###### Proof. We start by proving that (2) implies (2a). (The proof that (1) implies (1a) follows the same form, and is a little more routine.) Suppose that (2a) is false. Then there exists $n$ such that for all $S>1$ there are $x_{1}<x_{2}<x_{3}<\cdots<x_{S}$, with $x_{i+1}-x_{i}\leq n$ whenever $1\leq i\leq S-1$, such that there do not exist $1\leq i<j<k\leq S$ such that $x_{i}+x_{k}=2x_{j}$ and $i+k=2j$. Replace $x_{1}<x_{2}<x_{3}<\cdots<x_{S}$ by its characteristic binary word (of length $x_{S}$) $B_{S}=b_{1}b_{2}b_{3}\cdots b_{x_{S}}$ defined by $b_{i}=1$ if $i$ is in $\\{x_{1},x_{2},x_{3},\ldots,x_{S}\\}$, and $b_{i}=0$ otherwise. Let $H$ be the (infinite) collection of binary words obtained in this way. Note that if $B_{S}$ is in $H$, then consecutive 1s in $B_{S}$ are separated by at most $n-1$ 0s. Now construct, inductively, an infinite binary word $w$ such that each prefix of $w$ is a prefix of infinitely many words $B_{S}$ in $H$ in the following way. Let $w_{1}$ be a prefix of an infinite set $H_{1}$ of words in $H$. Let $w_{1}w_{2}$ be a prefix of an infinite set $H_{2}$ of words in $H_{1}$. And so on. Set $w=w_{1}w_{2}\cdots$ . Define $x_{1}<x_{2}<x_{3}<\cdots$ so that $w$ is the characteristic word of $x_{1}<x_{2}<x_{3}<\cdots$ and note that $x_{i+1}-x_{i}\leq n$ for all $i>1$. Now it follows that there cannot exist $1\leq i<j<k$ with $x_{1}+x_{k}=2x_{j}$ and $i+k=2j$. (For these $i,j,k$ would occur inside some prefix of $w$. But that prefix is itself a prefix of some word $B_{S}=b_{1}b_{2}b_{3}\cdots b_{S}$, where there do not exist such $i,j,k$.) Thus if (2a) is false, (2) is false. Next we prove that (3) implies (3a). Suppose that (3a) is false. Then there exists $t$ such that for all $T$ there is, without loss of generality, a covering $\\{1,2,\ldots,T\\}=A_{1}\cup A_{2}\cup\cdots\cup A_{t}$ such that there does not exist $q$ with $A_{q}=\\{x_{1}<x_{2}<\cdots<x_{p}\\}$ and $i<j<k$ with $x_{1}+x_{k}=2x_{j}$ and $i+k=2j$. Represent the cover $\\{1,2,\ldots,T\\}=A_{1}\cup A_{2}\cup\cdots\cup A_{t}$ by a word $B_{T}=b_{1}b_{2}b_{3}\cdots b_{T}$ on the alphabet consisting of the non- empty subsets of $\\{1,2,\ldots,t\\}$. Here for each $i$, $1\leq i\leq T$, $b_{i}=\\{\mbox{the set of }p,1\leq p\leq t,\mbox{ such that }i\mbox{ is in }A_{p}\\}$. Let $H$ be the set of all words $B_{T}$ obtained in this way. Construct an infinite word $w=w_{1}w_{2}w_{3}\dots$ on the alphabet consisting of the non-empty subsets of $\\{1,2,\ldots,t\\}$, such that each prefix of $w$ is a prefix of infinitely many of the words $B_{T}$ in $H$. Thus $w$ represents a cover $\mathbb{N}=A_{1}\cup A_{2}\cup\cdots\cup A_{t}$, where $A_{i}=\\{j\geq 1\mbox{ such that $i$ is in }w_{j}\\}$, $1\leq i\leq t$, for which there does not exist $i$, $A_{i}=\\{x_{1}<x_{2}<\cdots\\}$, with $1\leq i<j<k$ such that $x_{1}+x_{k}=2x_{j}$ and $i+k=2j$, contradicting (3). It is not difficult to show that (1) is equivalent to (2), that (1) is equivalent to (1a), that (2a) implies (2), and that (3a) implies (3). We have shown that (2) implies (2a) and that (3) implies (3a). The final steps are: Proof that (3) implies (2). If $n$ and $A_{0}=\\{x_{1}<x_{2}<x_{3}<\cdots\\}$ are given, with $x_{i+1}-x_{i}\leq n$ for all $i>1$, let $A_{i}=A_{0}+i$, $0\leq i\leq n-1$. Then $\mathbb{N}=A_{0}\cup A_{1}\cup\cdots\cup A_{n-1}$, and now (3) implies (2). Proof that (2) implies (3) and (3a). Assume (2), and use induction on $t$ to show that (3) and (3a) are true for $t$. (Note that (3) for a given value of $t$ is equivalent to (3a) for the same value of $t$.) For $t=1$ this is trivial. Fix $t\geq 1,$ assume (3) and (3a) for this $t$, and let $\mathbb{N}=A_{1}\cup A_{2}\cup\cdots\cup A_{t+1}$. If $A_{t+1}$ is finite we are done by the induction hypothesis on (3). If $A_{t+1}$ has bounded gaps, we are done by (2). In the remaining case, there are arbitrarily long intervals which are subsets of $A_{1}\cup A_{2}\cup\cdots\cup A_{t}$, and we are done by the induction hypothesis on (3a). ∎ ###### Remark 3. If true, perhaps (3a) can be proved by a method such as van der Waerden’s proof that any finite coloring of $\mathbb{N}$ has a monochromatic 3-AP. Here is another remark on double 3-term arithmetic progressions. ###### Theorem 5. The following two statements are equivalent: * (1) For all $n\geq 1$, every infinite sequence of positive integers $x_{1}<x_{2}<\cdots$ such that $x_{i+1}-x_{i}\leq n$ contains a double 3-term arithmetic progression. * (2) For all $n\geq 1$, every infinite sequence of positive integers $x_{1}<x_{2}<\cdots$ such that $x_{i+1}-x_{i}\leq n$ contains a double 3-term arithmetic progression $x_{i},x_{j},x_{k}$ with the property that $j-i=k-j\geq m$ for any fixed $m\in\mathbb{N}$. ###### Proof. Certainly (2) implies (1). We prove that (1) implies (2). Let $n$ and $m$ be given positive integers. Let $X=\\{x_{1}<x_{2}<\cdots\\}$ be an infinite sequence with gaps from $\\{1,\ldots,n\\}$. For $j\in\mathbb{N}$ we define $y_{j}=x_{jm+1}-x_{(j-1)m+1}$. Note that $m\leq y_{j}\leq nm$. Next we define an increasing sequence $Z=\\{z_{1}~{}<~{}z_{2}~{}<~{}\cdots\\}$ with gaps from $\\{m,m+1,\ldots,nm\\}$ by $z_{i}=\sum_{j=1}^{i}y_{j}=\sum_{j=1}^{i}x_{jm+1}-\sum_{j=0}^{i-1}x_{jm+1}.$ By (1) the sequence $Z$ contains a double 3-term arithmetic progression $z_{p},z_{q},z_{r}$ with $z_{r}-z_{q}=z_{q}-z_{p}\mbox{ and }p+r=2q.$ It follows that $\sum_{j=q+1}^{r}x_{jm+1}-\sum_{j=q}^{r-1}x_{jm+1}=\sum_{j=p+1}^{q}x_{jm+1}-\sum_{j=p}^{q-1}x_{jm+1}$ and $x_{rm+1}-x_{qm+1}=x_{qm+1}-x_{pm+1}.$ From $(pm+1)+(rm+1)=m(p+r)+2=2mq+2=2(mq+1)$ we conclude that $x_{pm+1},x_{qm+1},x_{rm+1}$ form a double 3-term arithmetic progression with $rm+1-(qm+1)=(r-q)m\geq m.$ Since $m$ and $X$ are arbitrary, we conclude that (2) holds. ∎ We wonder if one could get some intuitive “evidence” that it is easier to show that $w^{\ast}(3,3)$ exists than it is to show that every increasing sequence with gaps from $\\{1,2,3,\ldots,17\\}$ has a double 3-term arithmetic progression. The “17” is chosen because in a 3-coloring of $[1,m]$ which has no monochromatic double 3-AP, the gaps between elements of this color class are colored with 2 colors, and $w^{\ast}(2,3)=17$. RamseyScript was used for search of an increasing sequence with gaps from $\\{1,2,3,\ldots,17\\}$ with no double 3-term arithmetic progressions. The first search produced a sequence of the length 2207. The histogram with the distribution of gaps in this sequence is given on Figure 2. Figure 2: Histogram of Gaps in a 2207-term Double 3-AP Free Sequence In another attempt we changed the order of gaps in the search, taking $[16,12,11,17,10,14,15,8,5,3,6,4,2,1,13,7,9]$ instead of $[1,2,\cdots,17]$. RamseyScript produced a 5234-term double 3-AP free sequence. The corresponding histogram of gaps is given on Figure 3. Figure 3: Histogram of Gaps in a 5234-term Double 3-AP Free Sequence Here are a few conclusion that one can make from this experiment. 1. 1. Initial choices of the order of gaps matter very much when constructing a double 3-AP free sequence, because we cannot backtrack in a reasonable (human) timespan at these lengths. 2. 2. We do not really know anything about how long a sequence there will be. 3. 3. The search space is very big. Table 4 gives the recursion tree size vs. maximum sequence length considered. Max. Seq. Length | Size of Search ---|--- 0 | 1 1 | 18 2 | 307 3 | 4931 4 | 78915 5 | 1216147 6 | 18695275 7 | 278661995 8 | ???? Table 4: Recursion Tree Size vs. Maximum Sequence Length ## 5 RamseyScript To handle the volume and variety of computation required by this project and related ones, we use the utility RamseyScript, developed by the third author, which provides a high-level scripting language. In creating RamseyScript, we had two goals: * - To provide a uniform framework for Ramsey-type computational problems (which despite being minor variations of each other, are traditionally handled by _ad hoc_ academic code). * - To provide a correct and efficient means to actually carry out these computations. To achieve these goals, RamseyScript appears to the user as a declarative scripting language which is used to define a backtracking algorithm to be run. It exposes three main abstractions: search space, filters and targets. The _search space_ is a set of objects — typically $r$-colorings of the natural numbers or sequences of positive integers — which can be generated recursively and checked to satisfy certain conditions, such as being squarefree or containing no monochromatic progressions. The conditions to be checked are specified as _filters_. Typically when extending RamseyScript to handle a new type of problem, only a new filter needs to be written. This saves development time and effort compared to writing a new program, while also making available additional features, e.g. for splitting the problem across a computing cluster. Finally, _targets_ describe the information that should be shown to the user. The default target, max-length, informs the user of the largest object in the search space which passed the filters. With these parameters set, RamseyScript then runs a standard backtracking algorithm, which essentially runs as follows: 1. 1. Start with some element $x$ in the search space. For example, $x$ might be the trivial coloring of the empty interval. 2. 2. Check that $x$ passes each filter. If not, skip steps 3 and 4. 3. 3. Check each target against $x$ (e.g., is $x$ the longest coloring obtained so far?). 4. 4. For each possible extension $\hat{x}$ of $x$, repeat step 2. For example, if $x$ is the interval $[1,n]$ and the search space is the set of $r$-colorings, then the possible extensions of $x$ are the $r$ colorings of $[1,n+1]$ which match $x$ on the first $n$ elements. 5. 5. Output the current state of all targets. Here is an example script to demonstrate these ideas and syntax: # Output a brief description echo Find the longest interval [1, n] that cannot be 4-colored echo without a monochromatic 3-AP or a rainbow 4-AP. # Set up environment set n-colors 4 set ap-length 3 # Choose filters filter no-n-aps filter no-rainbow-aps # Use the default target (max-length) # Backtrack on the space of 4-colorings search colorings Its output is find the longest interval [1, n] that cannot be 4_colored without a monochromatic 3_ap or a rainbow 4_ap. Added filter ‘‘no-3-aps’’. Added filter ‘‘no-rainbow-aps’’. #### Starting coloring search #### Targets: Ψmax-length Filters: Ψno-rainbow-aps no-3-aps Dump data: Ψ Seed:ΨΨ[[] [] [] []] Max. coloring (len 56): [[removed due to length]] Time taken: 7s. Iterations: 4546107 #### Done. #### RamseyScript has many options to control the backtracking algorithm and its output. For full details see the README, available alongside its source code at https://www.github.com/apoelstra/RamseyScript. It is licensed under the Creative Commons 0 public domain dedication license. Acknowledgement. The authors would like to acknowledge the IRMACS Centre at Simon Fraser University for its support. ## References * [Ardal et al. 2012] H. Ardal, T. Brown, V. Jungić, and J. Sahasrabudhe, On additive and abelian complexity in infinite words, Integers, Electron. J. Combin. Number Theory 12 (2012) A21. * [Au et al. 2011] Yu-Hin Au, Aaron Robertson, and Jeffrey Shallit, Van der Waerden’s theorem and avoidability in words, INTEGERS: Elect. J. Combin. Number Theory 11 #A6 (electronic), 2011. * [Brown and Freedman 1987] T.C. Brown and A.R. Freedman, Arithmetic progressions in lacunary sets, Rocky Mountain J. Math. 17, Number 3 (1987), 587–596. * [Cassaigne et al. 2013+] Julien Cassaigne, James D. Currie, Luke Schaeffer, and Jeffrey Shallit, Avoiding three consecutive blocks of the same size and same sum, arXiv:1106.5204. * [Freedman 2013+] Allen R. Freedman, Sequences on sets of four numbers, to appear in INTEGERS: Elect. J. Combin. Number Theory. * [Graham et al. 1990] R. Graham, B. Rothschild, and J. H. Spencer, Ramsey Theory (2nd ed.), New York: John Wiley and Sons, 1990. * [Grytczuk 2008] Jaroslaw Grytczuk, Thue type problems for graphs, points, and numbers, Discrete Math. 308, 4419–4429, 2008. * [Halbeisen and Hungerb$\ddot{\text{u}}$hler 2000] L. Halbeisen and N. Hungerb$\ddot{\text{u}}$hler, An application of van der Waerden’s theorem in additive number theory, INTEGERS: Elect. J. Combin. Number Theory 0 # A7 (electronic), 2000. * [Pirillo and Varricchio 1994] G. Pirillo and S. Varricchio, On uniformly repetitive semigroups, Semigroup Forum 49, 125–129, 1994. * [Richomme et al. 2011] Gwénaël Richomme, Kalle Saari, and Luca Q. Zamboni, Abelian complexity in minimal subshifts, J. London Math. Soc. 83(1), 79–95, 2011. * [van der Waerden 1927] B. L. van der Waerden, Beweis einer Baudetschen Vermutung, Nieuw Archief voor Wiskunde 15, 212–216, 1927.
arxiv-papers
2013-04-05T22:02:39
2024-09-04T02:49:43.921771
{ "license": "Public Domain", "authors": "Tom Brown, Veselin Jungi\\'c, Andrew Poelstra", "submitter": "Andrew Poelstra", "url": "https://arxiv.org/abs/1304.1829" }
1304.1844
# The causal meaning of Fisher’s average effect James J. Lee1∗ Carson C. Chow1 1Laboratory of Biological Modeling National Institute of Diabetes and Digestive and Kidney Diseases National Institutes of Health Bethesda, MD 20892, USA ∗To whom correspondence should be addressed; E-mail: [email protected] RESEARCH PAPER RUNNING HEAD: Causal meaning of average effect Summary In order to formulate the Fundamental Theorem of Natural Selection, Fisher defined the _average excess_ and _average effect_ of a gene substitution. Finding these notions to be somewhat opaque, some authors have recommended reformulating Fisher’s ideas in terms of covariance and regression, which are classical concepts of statistics. We argue that Fisher intended his two averages to express a distinction between correlation and causation. On this view the average effect is a specific weighted average of the actual phenotypic changes that result from physically changing the allelic states of homologous genes. We show that the statistical and causal conceptions of the average effect, perceived as inconsistent by Falconer, can be reconciled if certain relationships between the genotype frequencies and non-additive residuals are conserved. There are certain theory-internal considerations favoring Fisher’s original formulation in terms of causality; for example, the frequency-weighted mean of the average effects equaling zero at each locus becomes a derivable consequence rather than an arbitrary constraint. More broadly, Fisher’s distinction between correlation and causation is of critical importance to gene-trait mapping studies and the foundations of evolutionary biology. Keywords: quantitative genetics, causality, confounding, selection bias, natural selection ## 1\. Introduction Darwin perceived that hereditary variation in fitness leads to an increase in adaptive complexity. In an attempt to provide a Mendelian and mathematical formulation of this profound insight, Fisher expounded the Fundamental Theorem of Natural Selection (FTNS), which in a modern paraphrase states that the partial increase in population mean fitness ascribable solely to changes in allele frequencies by natural selection is equal to the additive genetic variance in fitness [1, 33, 51, 13, 15, 16, 30, 9, 10, 36, 45]. In the discrete-time formulation of the FTNS, the additive genetic variance is proportional to this partial increase, as it must be divided by the mean fitness. In his exposition of the FTNS, Fisher took some pains to define the concepts of _average excess_ and _average effect_. In his own words, > Let us now consider the manner in which any quantitative individual > measurement, such as human stature, may depend upon the individual genetic > constitution. We may imagine, in respect of any pair of alternative > [alleles], the population divided into two portions, each comprising one > homozygous type together with half of the heterozygotes, which must be > divided equally between the two portions. The difference in average stature > between these two groups may then be termed the _average excess_ (in > stature) associated with the gene substitution in question…. [21, p. 30, > emphasis added] In contrast, > [b]y whatever rules …the frequency of different gene combinations, may be > governed, the substitution of a small proportion of the genes of one > [allelic] kind by the genes of another will produce a definite proportional > effect upon the average stature. The amount of the difference produced, on > the average, in the total stature of the population, for each such gene > substitution, may be termed the _average effect_ of such substitution, in > contra-distinction to the average excess as defined above…. [21, p. 31, > emphasis added] > > It is natural to conceive [of the average effect] as the actual increase in > the total of the measurements of a population, when without change in the > environment, or the mating system, the gene substitution is _experimentally_ > brought about, as it might be by mutation. [24, p. 373, emphasis added] This paper addresses a puzzle raised by [18] in his brilliant explication of Fisher’s two genetic averages. Falconer assumed that what Fisher meant by the quoted definition of the average effect was as follows. We randomly sample a zygote immediately after fertilization but before the onset of any developmental events. If the zygote’s genotype contains a gene of a certain allelic type, say $\mathcal{A}_{1}$, we change it to $\mathcal{A}_{2}$. This experimental intervention may lead to a value of the focal phenotype at the time of measurement that differs from what it would have been if the intervention had not been performed. Falconer reasoned that the expected magnitude of this difference corresponds to Fisher’s verbal definition of the average effect. Falconer then showed that [24]’s (fisher:1941) now widely accepted mathematical definition of the average effect—the partial regression coefficient of gene count in the linear regression of the phenotype on all loci in the genome—does not generally coincide with the definition in terms of experimental gene substitutions performed at random. Falconer expressed surprise at the apparent invalidity of the latter definition, given that “Fisher uses the imaginary replacement of one allele by another as a verbal description to introduce the idea of average effect, and it seems to have been seen by him as the basis for the concept” (p. 334). Falconer correctly perceived the importance of experimental intervention to Fisher’s conception of the average effect. Indeed, Fisher did not even bother to spell out his regression definition in the first edition of _The Genetical Theory of Natural Selection_. Furthermore, to any reader familiar with Fisher’s work on experimental design and his controversial stance on the tobacco-cancer connection, the quotations given above must bring into mind his repeated admonition that an observed _excess_ in the average measurement of one group over another can always be interpreted as the causal _effect_ of the factor distinguishing the groups under the following circumstance: the allotment of members to groups has been randomized in a controlled experiment [23, 27]. This preoccupation with causation is one of the stark contrasts between Fisher and his nemesis Karl Pearson; contrary to the intellectual fashion of the Edwardian era, Fisher did not regard causality as a meaningless concept. In the inaugural issue of the journal _Philosophy of Science_ , the word _cause_ and its derivatives appear in [22] no fewer than seventy times. Over much resistance by seasoned experimenters [3], Fisher advocated randomization in experimental design for the precise purpose of distinguishing causation from spurious correlations brought about by confounding variables. There is thus compelling reason to believe that the notion of experimental control revealing causation is critical to the proper interpretation of the average effect. We argue that a more nuanced reading of Fisher’s writings can bring his experimental and regression definitions of the average effect into full agreement in certain special cases. We then provide reasons to favor the experimental definition in more general situations. A striking disadvantage of the regression definition is that its use invalidates the FTNS if some of the variance in fitness has environmental causes. For simplicity our main text mostly follows [18] in treating the case of a single locus with two alleles. We provide the generalization to multiple alleles and loci in two of the later sections. Some interesting new concepts do arise in this generalization, but the central ideas can be conveyed without multilocus notation, which seems inevitably to be either cumbersome or opaque. ## 2\. A Notation for Causal Notions A formal symbolic language to distinguish causal relations from merely correlational ones, such as the counterfactual notation of [42] and [52], was not to our knowledge ever adopted by Fisher. This is despite the fact that he frequently wrote about this distinction. Although such formalisms lack the elegance of Fisher’s prose, adopting the appropriate formalism is an aid to understanding. For this purpose we adopt the $do$ operator of [46]. We are to interpret an expression such as $\mathbb{E}[Y\,|\,do(x)]$ to mean the expectation of $Y$ given that the random variable $X$ has been _experimentally fixed_ to the value $x$. The contrast between conditional quantities containing the $do$ symbol and traditional conditional quantities is evident in the expressions $\mathbb{P}(mud\,|\,rain)\geq\mathbb{P}(mud)\quad\textrm{and}\quad\mathbb{P}(rain\,|\,mud)\geq\mathbb{P}(rain)$ (1) and $\mathbb{P}[mud\,|\,do(rain)]\geq\mathbb{P}(mud)\quad\textrm{and}\quad\mathbb{P}[rain\,|\,do(mud)]=\mathbb{P}(rain).$ (2) (1) indicates that we are more likely to find mud if we have already observed rain. Because co-occurrence is symmetric, it also becomes more likely that it has rained if we have already observed mud. On the other hand, (2) symbolizes the much stronger and asymmetrical assertion that rain causes mud and not _vice versa_ ; muddying up the backyard with a garden hose will not make it rain. This notation and its associated machinery may be of some benefit in the burgeoning field of genome-wide association studies (GWAS), where it is important to single out genetic variants with a causal effect on a given phenotype from markers that are merely associated with the phenotype for other reasons, including linkage disequilibrium (LD) with a nearby causal variant [57]. Letting $Y$ denote the phenotype of interest, we can say that a genetic variant is a causal variant if the equality $\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]=\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{2})]=\mathbb{E}[Y\,|\,do(\mathcal{A}_{2}\mathcal{A}_{2})]$ (3) does not hold. The expectation is taken over the space of all possible multilocus genotypes and environments. Note that the equality does in fact hold for a non-causal marker locus in LD with a causal locus. If we could experimentally mutate a randomly chosen zygote’s genotype at a biologically inert marker locus immediately before the onset of development, we would not expect any ensuing change in the phenotype. The $do$ notation is more than a convenient means of fixing ideas. The treatise of [47] grounds this symbol in a rich syntax and semantics. From one point of view, the work of Pearl can be regarded as a vast generalization of [58]’s (wright:1968) path analysis. For simplicity we will speak of events in the life cycle such as fertilization, development, and phenotypic measurement as if all individuals experienced each such event at the same time—a convention that is appropriate for an organism with a life cycle consisting of discrete and non-overlapping generations. We can then speak of selecting one zygote for an experimental treatment from all those zygotes making up the current generation. Our discussion also applies, however, to organisms with a life cycle consisting of continuous and overlapping generations. In this case a quantity such as $\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]$ is to be interpreted as the present phenotypic value that a randomly selected organism would have been expected to obtain if its genotype could have been converted to $\mathcal{A}_{1}\mathcal{A}_{1}$ immediately after its own fertilization. Fisher’s own writings suggest the importance of counterfactual thinking. In a summary of his work on the correlations between relatives, he wrote: “[I]t should be clearly understood what we mean by a _cause of variability_. If we say, ‘This boy has grown tall because he has been well fed,’ we are not merely tracing out cause and effect in an individual instance; we are suggesting that he might quite probably have been worse fed, and that in this case he would have been shorter” [20, p. 214, emphasis in original]. The $do$ operator bears both interventional and counterfactual interpretations. If necessary, each organism can be weighted by reproductive value. ## 3\. Falconer’s Interpretation of the Experimental Average Effect We can use the $do$ operator to symbolize the gene substitutions in Fisher’s thought experiment. Here we use it to review Falconer’s understanding of this experiment for a single biallelic locus. We first note that if genotypic and environmental causes of phenotypic variation act additively and independently, then quantities such as $\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1})$ are precisely equal to $\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]$ at the single causal locus. Until we say otherwise, we assume the stochastic independence of genotypes and environments. Following the notation of [19], we let $P$, $2Q$, and $R$ denote the respective frequencies of the genotypes $\mathcal{A}_{1}\mathcal{A}_{1}$, $\mathcal{A}_{1}\mathcal{A}_{2}$, and $\mathcal{A}_{2}\mathcal{A}_{2}$. Given that a zygote’s genotype is $\mathcal{A}_{1}\mathcal{A}_{1}$, we write the expected phenotypic effect of changing a gene’s allelic type from $\mathcal{A}_{1}$ to $\mathcal{A}_{2}$ as $\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2}=\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{2}),\mathcal{A}_{1}\mathcal{A}_{1}]-\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}).$ (4) There is no contradiction in conditioning on both the observation of $\mathcal{A}_{1}\mathcal{A}_{1}$ and the experimental setting of the genotype to $\mathcal{A}_{1}\mathcal{A}_{2}$. This simply means that instead of performing the experiment on a zygote sampled at random from the entire population, we perform it specifically on a zygote that would otherwise have borne the genotype $\mathcal{A}_{1}\mathcal{A}_{1}$. Similarly, we define $\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2}\rightarrow\mathcal{A}_{2}\mathcal{A}_{2}=\mathbb{E}[Y\,|\,do(\mathcal{A}_{2}\mathcal{A}_{2}),\mathcal{A}_{1}\mathcal{A}_{2}]-\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2}).$ (5) The problem with identifying _the_ effect of a gene substitution—as in identifying the effect of an alteration to any nonlinear causal system—is that the expected change depends on the context. In other words (4) and (5) are not equal in general. Falconer supposed that Fisher arrived at the “average effect” of substituting $\mathcal{A}_{2}$ for $\mathcal{A}_{1}$ by averaging (4) and (5) in the following way. We sample a zygote at random and then select one of its genes at random. If the chosen gene is of allelic type $\mathcal{A}_{2}$, we leave it alone. If the chosen gene is of type $\mathcal{A}_{1}$, we change it to $\mathcal{A}_{2}$. The expected phenotypic effect of the gene substitutions performed under this scheme is thus $\frac{P(\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2})+Q(\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2}\rightarrow\mathcal{A}_{2}\mathcal{A}_{2})}{P+Q}.$ (6) Falconer pointed out that (6) does not agree with the regression definition of the average effect that [24] gave in an article criticizing Sewall Wright for conflating the average excess and average effect. This article required explicit expressions for the two genetic averages in traditional notation, and Fisher obtained an expression for the average effect adequate for demonstrating its distinctness from the average excess by minimizing the sum of squares $P[\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1})-\nu+\alpha]^{2}+2Q[\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2})-\nu]^{2}+R[\mathbb{E}(Y\,|\,\mathcal{A}_{2}\mathcal{A}_{2})-\nu-\alpha]^{2},$ (7) where $\nu$ is the regression constant. Using a notation that generalizes to a locus with more than two alleles, we can express this sum of squares equivalently as $P[\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1})-\mu-2\alpha_{1}]^{2}+2Q[\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2})-\mu-\alpha_{1}-\alpha_{2}]^{2}\\\ +R[\mathbb{E}(Y\,|\,\mathcal{A}_{2}\mathcal{A}_{2})-\mu-2\alpha_{2}]^{2}\quad\textrm{where $\mu=\mathbb{E}(Y)$}.$ (8) In the definition (7), then, the average effect $\alpha$ is the slope in the regression of the phenotype on gene count. $\alpha_{1}$ and $\alpha_{2}$ in (8) are the average effects of the two alleles individually—a notion to which we will return. For now we simply note that $\alpha$ will turn out to equal $\alpha_{2}-\alpha_{1}$ in magnitude. There is some ambiguity in the literature over whether the outcome variable in the regression should be defined, as in (8), with the subtraction of the unconditional phenotypic mean [28, 51, 16]. However, this choice simply adds a constant term to the average effects of the individual alleles, and this term disappears in the biallelic average effect $\alpha=\alpha_{2}-\alpha_{1}$. In our later discussion of individual average effects, we will give a compelling reason to favor the mean subtraction. Perhaps frustrated by Fisher’s concise style, Falconer concluded his article by approvingly quoting [51]’s (price:1972) remark that Fisher’s ideas can be translated into well-understood concepts such as covariance and regression without dealing with his “special” notions of average excess and average effect. In the following we show that the two definitions of the average effect can be reconciled, in the case of genotype-environment independence, for a specific weighting of the two possible substitutions. However, if such independence fails to hold, it is not possible to dispense with Fisher’s “special” definition in terms of experimental gene substitutions. ## 4\. Fisher’s Experimental Average Effect Fisher conditioned the gene substitutions in his hypothetical experiment on the “rules” by which “the frequency of different gene combinations may be governed.” It is this difficult subtlety that Falconer did not take into account. In _The Genetical Theory_ Fisher’s wording seems to imply that it is only the mating scheme that determines how different alleles combine to form whole-genome genotypes. Later he acknowledged that other factors also influence the departure of genotype frequencies from random combination of genes, explicitly mentioning “the partial isolation of sections of the population” [24, p. 54]. The implication for the experimental gene substitutions is that they must be carried out in a manner that does not disturb the arrangement of alleles into genotypes called for by the population’s rules of formation. The three genotype frequencies sum to unity, as do the frequencies of the two alleles. Thus, given the frequency of one allele, one more parameter is required to specify the genotype frequencies. There appears to be complete freedom in the choice of this parameter. For example, one possibility is Wright’s inbreeding coefficient $F$ [7]. As we later show, if we require the experimental average effect to coincide with the regression average effect in the case of genotype-environment independence, then we must choose the parameter to be $\lambda=Q^{2}/(PR)$, the ratio of the squared (ordered) heterozygote frequency to the product of the homozygote frequencies. $\lambda$ can be written in the symmetrical form $\frac{\mathbb{P}(\mathcal{A}_{2}\,|\,\mathcal{A}_{1})}{\mathbb{P}(\mathcal{A}_{1}\,|\,\mathcal{A}_{1})}\cdot\frac{\mathbb{P}(\mathcal{A}_{1}\,|\,\mathcal{A}_{2})}{\mathbb{P}(\mathcal{A}_{2}\,|\,\mathcal{A}_{2})},$ and it attains the constant value of unity if the population mates randomly, a fact first noted by [31]. Let $p=Q+R$ denote the frequency of $\mathcal{A}_{2}$, and write the population mean of $Y$ as a function of allele frequency and the rules of combination, $\mu(p,\lambda)$. We now show that the expression $\mu(p+dp,\lambda)-\mu(p,\lambda)$ is proportional to the average effect, $\alpha$, obtained from regression equation (7). In other words the ratio $\lambda$ must be kept constant under this manipulation, _whatever_ the population’s rules of formation have determined this ratio to be, in order for the experimental gene substitutions to yield what Fisher intended by the average effect. The population mean is given by the expression $\mu=P\,\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]+2Q\,\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{2})]+R\,\mathbb{E}[Y\,|\,do(\mathcal{A}_{2}\mathcal{A}_{2})].$ (9) The average effect is then proportional to the change of $\mu$ with respect to $p$ while holding $\lambda$ constant. We can increase $p$ by carrying out either the intervention $\mathcal{A}_{1}\mathcal{A}_{1}$ $\rightarrow$ $\mathcal{A}_{1}\mathcal{A}_{2}$ or $\mathcal{A}_{1}\mathcal{A}_{2}$ $\rightarrow$ $\mathcal{A}_{2}\mathcal{A}_{2}$. As detailed in the Appendix, upon noting that the differential of $Q^{2}=\lambda PR$ for constant $\lambda$ yields the differential equation $\frac{dP}{P}+\frac{dR}{R}=\frac{2dQ}{Q},$ (10) we find that Fisher’s average effect is $\alpha=\frac{c_{1}(\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2})+c_{2}(\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2}\rightarrow\mathcal{A}_{2}\mathcal{A}_{2})}{c_{1}+c_{2}},$ (11) where the weights are $\displaystyle c_{1}$ $\displaystyle=P(Q+R),$ $\displaystyle c_{2}$ $\displaystyle=R(P+Q).$ Let us recapitulate the meaning of (11). Immediately after fertilization we take a random sample of the zygotes bearing the genotype $\mathcal{A}_{1}\mathcal{A}_{1}$. We then randomly assign some of these zygotes to the “treatment,” which consists of changing the allelic type of a gene from $\mathcal{A}_{1}$ to $\mathcal{A}_{2}$. The expected difference in phenotype between treatments and controls at the time of measurement is the causal effect of the gene substitution. We perform the analogous experiment to determine the causal effect of changing $\mathcal{A}_{1}\mathcal{A}_{2}$ to $\mathcal{A}_{2}\mathcal{A}_{2}$. The weighted average of the two causal effects—where the weights $c_{1}$ and $c_{2}$ are chosen so as to preserve $\lambda$ if the two types of gene substitutions are applied to the population in the ratio $c_{1}/c_{2}$—is the average effect of gene substitution holding constant the rules governing the frequencies of the different genotypes. Now that the average effect has been defined in (11), we can apply it to an example of a population changing in mean phenotypic value under a sequence of gene substitutions (Table 1). This example may be seen as a numerical counterpart to the diagrammatic illustration by [10]. Suppose that the effect of changing an $\mathcal{A}_{1}\mathcal{A}_{1}$ individual to $\mathcal{A}_{1}\mathcal{A}_{2}$ is 3 phenotypic units, whereas the effect of changing $\mathcal{A}_{1}\mathcal{A}_{2}$ to $\mathcal{A}_{2}\mathcal{A}_{2}$ is $-2$. Suppose also that the numbers of the genotypes $\mathcal{A}_{1}\mathcal{A}_{1}$, $\mathcal{A}_{1}\mathcal{A}_{2}$, and $\mathcal{A}_{2}\mathcal{A}_{2}$ in this population are 40, 40, and 20 respectively. These genotype frequencies imply that $(c_{1},c_{2})$ is proportional to $(4,3)$. Table 1 shows how the average phenotypic change and $\lambda$ are affected by each step in a sequence of gene substitutions leading to an increase in $p$ but tending to keep $\lambda$ constant. The first column gives the gene substitution. In this sequence the two types of substitution alternate, but this is not an essential feature. The second column gives the numbers of the genotypes after the gene substitution. The third column gives the cumulative change in the total phenotypic measurements (the mean phenotype times the population size) divided by the number of gene substitutions. The fourth column gives the new value of $\lambda$ after the gene substitution. Table 1: _Sequence of experimental gene substitutions yielding the average effect._ experimental change | genotype numbers | $\frac{\Delta(\mu N)}{\textrm{number of changes}}$ | $\lambda$ ---|---|---|--- — | 40, 40, 20 | — | 1/2 $\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2}$ | 39, 41, 20 | 3 | .5387821 $\mathcal{A}_{1}\mathcal{A}_{2}\rightarrow\mathcal{A}_{2}\mathcal{A}_{2}$ | 39, 40, 21 | 1/2 | .4884005 $\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2}$ | 38, 41, 21 | 4/3 | .5266291 $\mathcal{A}_{1}\mathcal{A}_{2}\rightarrow\mathcal{A}_{2}\mathcal{A}_{2}$ | 38, 40, 22 | 1/2 | .4784689 $\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2}$ | 37, 41, 22 | 1 | .5162776 $\mathcal{A}_{1}\mathcal{A}_{2}\rightarrow\mathcal{A}_{2}\mathcal{A}_{2}$ | 37, 40, 23 | 1/2 | .4700353 $\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2}$ | 36, 41, 23 | 6/7 | .5075483 It is readily confirmed that the final value of $\lambda$ is the closest to the starting value of $1/2$ that can be achieved with 7 gene substitutions. If we take population size to infinity, we can make the discrepancy between the original and new values of $\lambda$ as small as we please. In the special case of genotype-environment independence considered so far, where equalities such as $\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1})=\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]$ always hold, Fisher’s experimental and regression definitions of the average effect coincide for constant $\lambda$. In the example above, after assigning each genotype an expected phenotypic value consistent with the magnitudes of the experimental effects, it is easily verified that the slope in the least- squares regression of phenotypic value on $\mathcal{A}_{2}$ gene count is 6/7. ## 5\. Gene-Environment Correlation and Interaction As a preliminary matter, we note that any variable along a causal path (in the sense of Wright and Pearl) from genotype to phenotype must not be counted as environmental. For example, if dairy consumption affects stature, it is tempting to regard dairy consumption as an environmental (non-genotypic) variable with respect to stature. But if genetic variation affects lactose tolerance and thus the amount of milk consumed, assigning the effect of dairy consumption on stature to the environment ignores the fact that the path _genotype_ $\rightarrow$ _lactose tolerance_ $\rightarrow$ _dairy consumption_ $\rightarrow$ _stature_ ultimately begins with a genetic variable. This subtlety may have been among the reasons why Fisher favored “speaking of the residue as non-genetic, rather than environmental …” [2, p. 260] It is worth asking whether Fisher intended the average effect to be defined in the event that genotypic and environmental causes are either dependent or non- additive. In many places he certainly assumed or argued for independence and additivity [19, 24, 26, 29], and it has been asserted that Fisher’s biometrical theory is meaningless if these conditions are not met [56, _e.g._ ,]. As [51] has pointed out, Fisher’s exposition in _The Genetical Theory_ leaves much to be desired. A close reading of this text and Fisher’s other writings, however, turns up many reasons to suspect that Fisher regarded independence and additivity as reasonable specifications for certain demonstrations and not as strictly necessary conditions for the average effect to be defined. 1. 1. In the discussion of the average effect in _The Genetical Theory_ , Fisher did not explicitly refer to his other work where he made special assumptions regarding the environment. 2. 2. The average effect is a key concept in the FTNS, which Fisher regarded as an exact and rigorous statement. One would like to believe that Fisher, having been trained in mathematical physics, would not have compared the FTNS to the second law of thermodynamics if the FTNS depended on assumptions regarding the environment that must always be approximations at best. 3. 3. We can read that “[t]he genetic variance as here defined is only a portion of the variance determined genotypically, and this will differ from, and usually be somewhat less than, the total variance to be observed” [21, p. 34]. The genotypic variance is greater than the total variance only if “good” genotypes tend to be found in “bad” environments, and thus Fisher was clearly allowing for the possibility of dependence. 4. 4. In a letter to J. A. Fraser Roberts, Fisher wrote that > [t]here is one point in which Hogben and his associates are riding for a > fall, and that is in making a great song about the possible, but unproved, > importance of non-linear interactions between hereditary and environmental > factors…. What they do not see is that we ordinarily count as genetic only > such part of the genetic effect as may be included in a linear formula and > that we make a present to the environmentalists of such variation due to the > combined action of genetic and environmental factors as is not expressible > in such a formula. [2, p. 260] These remarks clearly show that Fisher did not regard genotype-environment interaction as an obstacle to defining the average effect. Emboldened by this evidence regarding the intended generality of the average effect, we extend our treatment to encompass gene-environment correlation and interaction. We first suppose that genotypic and environmental causes act additively but are not independent. Additivity means that the experimental effect of a gene substitution remains the same regardless of the environment in which the experiment is carried out; varying the environment simply raises or lowers the expected phenotypic values of all three genotypes by the same amount. For instance, $\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2},\mathcal{E}_{i}=\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2},\mathcal{E}_{j}$ (12) for any choice of environments $\mathcal{E}_{i}$ and $\mathcal{E}_{j}$. In this case all of the discussion in previous sections continues to apply _except_ for the equivalence of the experimental and regression average effects. If some genotypes are more frequently found in favorable environments for phenotypic development, then the regression of phenotypic value on gene count does not have a simple genetic interpretation. Non-additivity means that at least one equality of the kind in (12) does not hold. The precise magnitude of the expected change upon an experimental gene substitution now depends on some aspect of the environment that the manipulated zygote will experience between the onset of development and the time of measurement. This case is problematic because now a quantity such as $\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2}$ is not necessarily equal to $\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2}\rightarrow\mathcal{A}_{1}\mathcal{A}_{1}$, since the genotypes $\mathcal{A}_{1}\mathcal{A}_{1}$ and $\mathcal{A}_{1}\mathcal{A}_{2}$ may tend to be found in different environments. This difficulty can be overcome by redefining expressions such as $\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2}$ so that each symbolizes a difference between experimental treatments rather than a difference between a treatment and an unperturbed control group. For example, (4) would become $\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2}=\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{2})]-\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})].$ Seeking an equivalent generalization that retains the interventional form of (4) and (5), however, sheds substantially greater light on the problem. Before taking up the issue of gene-environment interaction, it is helpful to review Fisher’s motivation for holding $\lambda$ constant as a means to address gene-gene interaction. In order to formulate the FTNS, Fisher wished to quantify the causal effect of changing allele frequency while holding the environment constant. In his view the way in which alleles combine to form genotypes, as parameterized by $\lambda$, should be regarded as part of the environment. Although this choice may initially seem eccentric, because fitness differences among genotypes will typically change both $p$ and $\lambda$, it becomes reasonable when we realize that $\lambda$ may also change as a result of extrinsic events such as the formation or dissolution of geographical hindrances to random mating. There is an analogy here to Fisher’s analysis of covariance to separate the direct and indirect effects of a given experimental manipulation on a focal outcome. For instance, in an experiment to determine whether a given fertilizer affects the purity of sugar extracted from sugar-beets, the experimenter may already know that the fertilizer affects the weight of the beet roots, which in turn affects sugar purity [29, pp. 283–284]. The experimenter may wish to know whether the fertilizer affects sugar purity through a direct causal path, _fertilizer_ $\rightarrow$ _sugar purity_ , distinct from the indirect path _fertilizer_ $\rightarrow$ _root weight_ $\rightarrow$ _sugar purity_. In certain cases adjustment for root weight by analysis of covariance yields the target quantity: the amount by which sugar purity would change upon application of the fertilizer, if root weight could be experimentally clamped to the value that it would have obtained in the control condition. Similarly, while gene substitutions that are not deliberately balanced as in (11) will typically change both $p$ and $\lambda$, we can still mathematically define an average effect stipulating that $\lambda$ remains clamped to a constant value. This point of view is similar to one expressed by [45]. Once we regard any change in how alleles are arranged into genotypes as environmentally caused, it perhaps becomes obvious that we should regard certain changes in the allotment of genotypes to environments as such. After all, a redistribution among environments might lead to changes in the phenotypic means of the genotypes. Such changes in the genotype-phenotype mapping, when caused by extrinsic events such as climate change, are readily classified as environmental in nature. This consideration suggests that the gene substitutions defining the average effect in the presence of genotype- environment interaction should be balanced in such a way that the phenotypic means of the genotypes remain constant. Since equalities such as $\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1})=\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]$ do not hold when genotypes and environments are also dependent, there is ambiguity in what is meant by holding constant the phenotypic means. We first consider holding constant the _observed_ means. If the environments interacting with genotypes can be classified discretely, then we can write an equation like $\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1})=\sum_{i}\mathbb{P}(\mathcal{E}_{i}\,|\,\mathcal{A}_{1}\mathcal{A}_{1})\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1},\mathcal{E}_{i})$ (13) for each genotype. Because genotypes and environments exhaust all possible causes of phenotypic variation, $\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1},\mathcal{E}_{i})$ is equivalent to $\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1}),do(\mathcal{E}_{i})]$. In a sense even the expectation operator is unnecessary because $Y$ is a deterministic function when both genotype and environment are specified. Constancy of observed means requires constancy of the conditional probabilities taking the form $\mathbb{P}(\mathcal{E}_{i}\,|\,\mathcal{A}_{1}\mathcal{A}_{1})$. A candidate definition for the average effect is then $2\alpha dp=\mu[p+dp,\lambda,\mathbb{P}(\mathcal{E}_{1}\,|\,\mathcal{A}_{1}\mathcal{A}_{1}),\ldots,\mathbb{P}(\mathcal{E}_{n}\,|\,\mathcal{A}_{2}\mathcal{A}_{2})]\\\ -\mu[p,\lambda,\mathbb{P}(\mathcal{E}_{1}\,|\,\mathcal{A}_{1}\mathcal{A}_{1}),\ldots,\mathbb{P}(\mathcal{E}_{n}\,|\,\mathcal{A}_{2}\mathcal{A}_{2})].$ The problem with this candidate definition, however, is that it can lead to a nonzero average effect even if in each environment neither gene substitution has a causal effect. This is because preserving a genotype’s conditional probabilities of being found in the various environments may require that some gene substitutions be accompanied by the placement of the manipulated organism in a different environment; the resulting change in phenotype may then be entirely the result of the environmental change. If we instead consider holding constant the _experimental_ means, then we obtain $\displaystyle\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]$ $\displaystyle=\sum_{i}\mathbb{P}[\mathcal{E}_{i}\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]\,\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1}),\mathcal{E}_{i}]$ $\displaystyle=\sum_{i}\mathbb{P}(\mathcal{E}_{i})\mathbb{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1},\mathcal{E}_{i}).$ (14) The left-hand side is the expected phenotypic value upon sampling a zygote at random and, if its genotype is not $\mathcal{A}_{1}\mathcal{A}_{1}$, making it so. Since changing the genotype of a zygote cannot affect its environment, we have $\mathbb{P}[\mathcal{E}_{i}\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]=\mathbb{P}(\mathcal{E}_{i})$ for each $i$ and thus a justification of the second line. Therefore preserving the experimental means only requires a constant marginal distribution of environmental states. Of course, we can always abide by this constraint if we never foster any manipulated organism in a different environment. This ensures that a nonzero average effect is indeed an average of genetic effects, at least one of which would turn out to be nonzero under experimental control. Hence a natural definition of the average effect in the presence of genotype- environment interaction is $\alpha=\frac{\sum_{i}c_{1,i}(\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1}\rightarrow\mathcal{A}_{1}\mathcal{A}_{2},\mathcal{E}_{i})+c_{2,i}(\Delta Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2}\rightarrow\mathcal{A}_{2}\mathcal{A}_{2},\mathcal{E}_{i})}{\sum_{i}c_{1,i}+c_{2,i}},$ (15) where $\displaystyle c_{1,i}=c_{1}\mathbb{P}(\mathcal{E}_{i}),$ $\displaystyle c_{2,i}=c_{2}\mathbb{P}(\mathcal{E}_{i}).$ ## 6\. Average Effects of Individual Alleles We will now explain how the experimental average effect of an individual allele may be defined for a locus with any number of alleles. Since there are ${n\choose 2}$ possible gene substitutions at a locus with $n$ alleles, we can no longer speak of a single average effect in the case of $n>2$, and thus an extension of this kind is plainly necessary. In the second edition of _The Genetical Theory_ , we can read that “[w]ith multiple allelomorphism it is convenient to define [the average effect of an allele] by the effect of substituting any chosen gene for a random selection of the genes homologous with it” [28, p. 35]. This definition can be explicated with respect to a given allele, say $\mathcal{A}_{1}$, as follows. Immediately after fertilization but before the onset of any developmental events, we select the allelic type of a gene to be changed into $\mathcal{A}_{1}$ in such a way that the probabilities of selection are equal to the allele frequencies. That is, if the vector of allele frequencies is $(p_{1},\ldots,p_{n})$, then the gene to be changed is $\mathcal{A}_{1}$ with probability $p_{1}$, $\mathcal{A}_{2}$ with probability $p_{2}$, and so on. If the gene to be changed happens to be $\mathcal{A}_{1}$ itself, then the $\mathcal{A}_{1}$ $\rightarrow$ $\mathcal{A}_{1}$ change will have no phenotypic consequence. For all changes other than the null change, the choice of the undisturbed gene in the genotype is made in such a way that the population’s rules of genotype formation are preserved. If genotypes and environments are both dependent and interacting, then the marginal distribution of environmental states must be considered as in (15). The expected change in the phenotype of the manipulated organism is then $\alpha_{1}$, the average effect of $\mathcal{A}_{1}$. From this definition we can derive some important consequences. Let $N_{k}$ stand for the number of $\mathcal{A}_{k}$ genes in the population. The total number of genes is $\sum_{k=1}^{n}N_{k}=N$. Among the $n$ experiments defining the individual average effects, choose one to perform with a probability equal to its corresponding allele frequency. The expected vector of allele frequencies following the randomly chosen experiment is then $\sum_{k=1}^{n}\frac{N_{k}}{N}\left\\{\sum_{\ell=1}^{n}\frac{N_{\ell}}{N}\left[\left(\frac{N_{1}}{N},\ldots,\frac{N_{n}}{N}\right)+\frac{1}{N}\mathbf{e}_{k}-\frac{1}{N}\mathbf{e}_{\ell}\right]\right\\},$ (16) where $\mathbf{e}_{k}$ is the vector of length $n$ with element unity at position $k$ and zeroes elsewhere. After some algebra we find that the first element of the expected vector is $N_{1}\left(\sum N_{k}\right)^{2}/N^{3}=p_{1}$, the second is $N_{2}\left(\sum N_{k}\right)^{2}/N^{3}=p_{2}$, and so on. The expected outcome of the randomly chosen experiment is a population with exactly the same allele frequencies, rules of genotype formation, and phenotypic mean. We have thus proved that the experimental average effects satisfy $\sum_{k=1}^{n}p_{k}\alpha_{k}=0.$ (17) With the generalization of the experimental average effect given in the next section, (17) holds at any one of arbitrarily many multiallelic loci. In the case of a single locus, (17) holds for the regression average effects in (8) [16], and agreement of the regression and experimental average effects thus requires the mean subtraction in that expression. Let us apply the definition of the individual average effect to the biallelic example in Table 1. There are initially 120 $\mathcal{A}_{2}$ genes in this population of 200 total genes. If we perform the experiment defining $\alpha_{1}$, then with probability .40 the population gene numbers remain at $(80,120)$ and with probability .60 the numbers become $(81,119)$. In the event of a non-null substitution, with probability $4/7$ (given by $\frac{c_{1}}{c_{1}+c_{2}}$) the change is $\mathcal{A}_{1}\mathcal{A}_{2}$ $\rightarrow$ $\mathcal{A}_{1}\mathcal{A}_{1}$ and with probability $3/7$ (given by $\frac{c_{2}}{c_{1}+c_{2}}$) it is $\mathcal{A}_{2}\mathcal{A}_{2}$ $\rightarrow$ $\mathcal{A}_{1}\mathcal{A}_{2}$. The expected outcome of the experiment is thus a population with gene numbers $(80.6,119.4)$ and, up to the limits of finite size, the same value of $\lambda$. Using simple probability calculus, we can calculate that the numerical value of $\alpha_{1}$ is $-18/35$. In summary, the experiment defining $\alpha_{1}$ will lead to the null substitution $\mathcal{A}_{1}$ $\rightarrow$ $\mathcal{A}_{1}$ with probability $p_{1}$ (in which case the causal effect is zero) and to the substitution $\mathcal{A}_{2}$ $\rightarrow$ $\mathcal{A}_{1}$ with probability $p_{2}$ (in which case the effect is equal in magnitude to the average effect of gene substitution with respect to the entire locus). Therefore $\alpha_{1}$ must be equal to $(p_{1})(0)+(p_{2})(-\alpha)$, and from this we can use $p_{1}\alpha_{1}+p_{2}\alpha_{2}=0$ to derive $\alpha=\alpha_{2}-\alpha_{1}$ algebraically. The meaning of this relation among the three average effects is as follows. The expected outcome of the experiment defining $\alpha_{2}$ is a population with gene numbers $(79.6,120.4)$ and nearly the same value of $\lambda$. Now suppose that we perform the “opposite” of the experiment defining $\alpha_{1}$, on average reducing the number of $\mathcal{A}_{1}$ genes rather than increasing them. We compose this experiment with the one defining $\mathcal{A}_{2}$, which in our example has a numerical value of $12/35$. The population is thus expected to proceed through the sequence $(80,120)$ $\rightarrow$ $(79.4,120.6)$ $\rightarrow$ $(79,121)$, preserving $\lambda$ at each step. The final state is precisely the one expected upon performing the experiment defining $\alpha$, the average effect of gene substitution for the entire locus. We can see in what sense the average effect of gene substitution ($6/7$) is equal to the effect of removing one gene ($18/35$) and then replacing it with another ($12/35$). ## 7\. Average Effects in the Case of Multiple Loci In the case of a single locus with two alleles, we can just as well define the average effect of gene substitution as $\alpha=\frac{1}{2}\frac{\partial\mu(p,\lambda)}{\partial p},$ (18) where $\mu$ is defined as in (9). From this starting point, we can derive the equivalence of the regression (7) and experimental (11) definitions in the case of genotype-environment independence. (18) fills the lacuna in Wright’s casual use of the expression $\frac{d\overline{W}}{dp},$ to which [24] strongly objected. The explicit dependence of $\mu$ on $\lambda$, a measure of departure from random combination of genes, meets the criticism that “the numerator involves the average of [the phenotype] for a number of different genotypes …exceeding the number of gene frequencies $p$ on which their frequencies are taken to depend” (p. 57). It is interesting that the only genetic condition governing the gene substitutions defining the average effect for a single biallelic locus is the constancy of $\lambda$, a parameter that depends on the genotype frequencies but not the genotypic means. One might have thought that these means, appearing as they do in (7), must play some role in the weighting of the two possible gene substitutions. It is then natural to ask whether the generalization to multiple loci retains the appealing feature that constancy of appropriately quantified departures from Hardy-Weinberg and linkage disequilibrium is sufficient—without any additional information regarding the genotypic means—for an experimental average effect to agree with its corresponding partial regression coefficient. According to our analysis in the Appendix, the multilocus average effects do not in fact retain this feature. That is, we would like to define the multilocus average effect of allele $i_{k}$ at locus $k$, $\mathcal{A}^{(k)}_{i_{k}}$, as $\alpha^{(k)}_{i_{k}}=\frac{1}{2}\frac{\partial\mu(\mathbf{p},\bm{\lambda})}{\partial p^{(k)}_{i_{k}}},$ (19) where $\mathbf{p}$ is now a vector of allele frequencies at several loci, $p^{(k)}_{i_{k}}$ being the element corresponding to $\mathcal{A}^{(k)}_{i_{k}}$, and $\bm{\lambda}$ is a vector of whatever measures of departure from random combination are preserved under the appropriately balanced gene substitutions. However, as will be demonstrated, such a mean-invariant description of the average effects does not seem to exist. To set up a weaker definition of the multilocus average effects, we require some additional definitions and notational conventions. Suppose that there are $L$ causal loci, in the sense of (3), affecting the focal phenotype. Suppose also that there are $n_{\ell}$ alleles $\mathcal{A}^{(\ell)}_{i_{\ell}}$ $(i_{\ell}=1,\ldots,n_{\ell})$ at locus $\ell$. We have already stipulated that $p^{(\ell)}_{i_{\ell}}$ is the frequency of allele $\mathcal{A}^{(\ell)}_{i_{\ell}}$. Put $i=(i_{1},\ldots,i_{L})$ and denote the gamete $\mathcal{A}^{(1)}_{i_{1}}\cdots\mathcal{A}^{(L)}_{i_{L}}$ by the multi-index $i$. In addition, denote the frequency of the ordered multilocus genotype containing gametes $i$ and $j$ as $P_{ij}$. Define the _coefficient of departure from random combination_ , $\theta_{ij}=\frac{P_{ij}}{\prod_{k}p^{(k)}_{i_{k}}p^{(k)}_{j_{k}}},$ (20) as the ratio of the (ordered) whole-genome genotype $ij$ to the products of its constituent allele frequencies. The $\theta_{ij}$ are thus measures of both Hardy-Weinberg and linkage disequilibrium; they are all equal to unity if and only if the rules of genotype formation call for the random combination of all genes. Special cases of this coefficient were introduced by [33], although [41] has pointed out that some of Kimura’s expressions employing these coefficients are incorrect. To capture how the experimental gene substitutions defining the average effects change the departures from random combination, let $\mathring{\theta}_{ij}=\frac{\Delta P_{ij}}{P_{ij}}-\sum_{k}\left(\frac{\Delta p^{(k)}_{i_{k}}}{p^{(k)}_{i_{k}}}+\frac{\Delta p^{(k)}_{j_{k}}}{p^{(k)}_{j_{k}}}\right)$ (21) denote the relative change in $\theta_{ij}$. In the limit of infinitesimal changes, this is equivalent to the logarithmic derivative of $\theta_{ij}$. Now the experimenter must ascertain the mean of each whole-genome genotype by experimental control and then fit the equation $\mathbb{E}[Y\,|\,do(ij)]=\mu+\alpha_{ij}+\varepsilon_{ij},\quad\textrm{where $\alpha_{ij}=\alpha_{i}+\alpha_{j}$, $\alpha_{i}=\sum_{k=1}^{L}\alpha^{(k)}_{i_{k}}$},$ (22) to the treatment means thus obtained. The $\alpha^{(k)}_{i_{k}}$ are the average effects of the individual alleles. The residuals $\varepsilon_{ij}$ will reflect both dominance and epistasis, and in the general case it does not seem profitable to separate the two in the manner that [33] attempted. The fitting is accomplished by seeking the vector of average effects, $\bm{\alpha}$, that minimizes the sum of squares $\sum_{i,j}P_{ij}\varepsilon_{ij}^{2}.$ (23) Whereas the minimization defines the $\varepsilon_{ij}$ uniquely, the $\alpha^{(k)}_{i_{k}}$ are so far defined only up to a constant term in the sense that one constant may be added to the average effects at one locus and the same constant subtracted from the average effects at another locus without changing the minimum sum of squares [16]. The experimental average effect of a given allele, however, is obviously not defined only up to a constant term but rather must be equal to the precise number determined by the experiment of replacing a random homologous gene with a gene of the given allelic kind. In the Appendix we show that performing a non-null substitution in this experiment, in a manner preserving the rules of genotype formation, amounts to weighting the possible gene substitutions such that the scalar quantity $\overline{\varepsilon\,\mathring{\theta}}=\sum_{i,j}P_{ij}\varepsilon_{ij}\mathring{\theta}_{ij}$ (24) is equal to zero. Another way to phrase this key result is that the vanishing of $\overline{\varepsilon\,\mathring{\theta}}$ is a necessary and sufficient condition for the regression and experimental average effects to coincide in the case of genotype-environment independence. [33] showed that constancy of $\lambda$ suffices for $\overline{\varepsilon\,\mathring{\theta}}$ to vanish in the case of a single biallelic locus; it is worth mentioning that even in this simplest possible case there do not generally exist changes in the genotype frequencies such that each individual $\mathring{\theta}_{ij}$ vanishes. Our theoretical experimenter can of course perform all $\sum_{k=1}^{L}n_{k}$ experiments to determine the unique values of the elements in the vector $\bm{\alpha}$. However, given our demonstration that the mean of the experimental average effects at any given locus is equal to zero, it suffices to impose (17) for each locus as a constraint on the minimization of (23). The proof of (17) is still valid for each of multiple loci because the vanishing of $\overline{\varepsilon\,\mathring{\theta}}$ along each possible branch of the random experiment implies that the expected change in phenotypic mean must be equal to $2\sum_{i_{k}}^{n_{k}}\mathbb{E}\left(\Delta p^{(k)}_{i_{k}}\right)\alpha^{(k)}_{i_{k}},$ (25) and since the expected outcome of the experiment is a population with the same allele frequencies, (17) is assured. The vanishing of $\overline{\varepsilon\,\mathring{\theta}}$ preserves the population’s rules of genotype formation in the following sense. Although the number of parameters required to describe departure from random combination of genes increases very rapidly with the number of alleles and loci, (24) implies it is not necessary for each and every such parameter to stay constant. It is enough, roughly speaking, for the average change in these parameters to equal zero. $\overline{\varepsilon\,\mathring{\theta}}$ is similar in form to the weighted average of the relative changes in the departures from random combination, those genotypes with large non-additive residuals being weighted more heavily. The expression $\alpha^{(k)}_{i_{k}}=\frac{1}{2}\left(\frac{\partial}{\partial p^{(k)}_{i_{k}}}\sum_{i,j}P_{ij}\mathbb{E}[Y\,|\,do(ij)]\right)_{\overline{\varepsilon\,\mathring{\theta}}=0}$ (26) may therefore serve as the definition of the experimental average effect in the case of multiple loci. Let us recapitulate the meaning of (26). Our variable of interest is the population average of the experimentally determined phenotypic means of the genotypes. If genotypes and environments are dependent, this variable is not the same as the population mean $\mathbb{E}(Y)$. Partial differentiation with respect to the frequency of allele $\mathcal{A}^{(k)}_{i_{k}}$ indicates that we examine how our variable of interest responds to the replacement of a small number of randomly chosen homologous genes with genes of the given allelic kind. The constraint on the partial derivative indicates that we consider only those counterfactual populations that can be reached from the original population by experimental replacements that result in the vanishing of (24). The factor of $\frac{1}{2}$ is owed to diploidy. It may seem from the form of the constrained derivative that this definition contains an element of circularity, since the $\varepsilon_{ij}$ are defined relative to the average effects in (22). Any such concern should be dispelled by the fact that (26) fully encodes our argument from (22) to (25), which provides an unambiguous sequence of instructions for the theoretical experimenter to follow. The Appendix provides some numerical examples. ## 8\. Average Effects and Natural Selection At this point the reader may be questioning the need for defining the average effect in terms of causality, as might be revealed by experimentally controlled gene substitutions. Modern texts give only the regression definition [38, 5], and those who are accustomed to these accounts may resist the new notation and new way of thinking. We have already given one strong motivation to adopt the criterion of sensitivity to experimental manipulation: the need to distinguish a causal variant from the non-causal markers in LD with it. Another motivation is that dependence of genotypes and environments is a frequent occurrence. For instance, a major concern in GWAS is ensuring that discovered associations are not attributable to population stratification, which is essentially a form of confounding. A well-known apocryphal example is the “chopstick gene.” A geneticist performing a GWAS of chopstick skill in a large sample containing both Europeans and East Asians will undoubtedly find many marker loci failing to satisfy the equality $E(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1})=E(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2})=E(Y\,|\,\mathcal{A}_{2}\mathcal{A}_{2})$ (27) even if, unbeknownst to the geneticist, the corresponding equality (3) is obeyed at all loci linked to the statistically significant markers. This is because the Europeans and East Asians differ both in allele frequencies at these loci and in the prevalence of chopstick use; the latter difference presumably has arisen for reasons having nothing to do with genetics. A regression of the observed phenotypic values on gene count will nevertheless lead to a nonzero “average effect” in violation of both Fisher’s verbal definition and common sense. GWAS investigators attempt to control confounding by including all other genotyped markers in the regression. Since the number of genotyped markers typically exceeds the sample size, techniques such as principal components and mixed linear modeling are typically employed [49, 59]. The reason for the frequent effectiveness of these techniques is that genomic background become an extremely good proxy for the subpopulation to which a given sample member belongs as the number of loci grows large [11]. However, one can construct examples where partialing out other loci fails to deal with confounding [39], and in any case a theoretical definition whose usefulness depends on contingent quantities such as genome size and genetic diversity is inherently unattractive. Perhaps the most conspicuous failure of the regression definition occurs in the very situation that motivated Fisher to define the average effect. This is when the phenotype is fitness itself. In this case the regression average effect will generically fail to be proportional to the partial change in genetic mean per change in allele frequency _even if_ the genotypic and environmental causes of fitness variation are additive and initially independent. A simple simulation will bear out this perhaps surprising claim. The simulated organism follows a life cycle consisting of non-overlapping generations. The population size is 20,000. Fitness is determined by a single locus and the environment; the frequency of $\mathcal{A}_{2}$ is initially 1/2, and the population mated at random in the previous generation. The genotypic fitnesses—the values of $\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]$, $\mathbb{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{2})]$, $\mathbb{E}[Y\,|\,do(\mathcal{A}_{2}\mathcal{A}_{2})]$—are .4, .5, and .6 respectively. We determine the phenotypic fitness of each individual in the following way. Immediately after fertilization but before the onset of viability selection, an environmental disturbance of .3 in absolute value is added to each individual’s genotypic fitness. Positive and negative disturbances are equally probable. This scheme ensures that genotypes and environments are independent at this time. Whether an individual withstands viability selection to mate with a random fellow survivor is determined by a discrete approximation of an exponential process. We stipulate ten discrete time intervals between fertilization and reproduction, each of which an individual survives with a probability chosen so that the probability of surviving all ten intervals is equal to the individual’s phenotypic fitness. By dividing the time between fertilization and mating into more intervals, we could more closely approach a true continuous-time model, where the logarithm of phenotypic fitness would be similar to the Malthusian parameter. Ten intervals, however, suffice to make the point at issue. Table 2: _Evolutionary change across time intervals in a simulated organism._ | $\beta$ | $\Delta p$ | $\Delta A$ ---|---|---|--- fertilization | .100 | $9.33\times 10^{-3}$ | $1.87\times 10^{-3}$ time 1 | .091 | $8.07\times 10^{-3}$ | $1.61\times 10^{-3}$ time 2 | .084 | $5.86\times 10^{-3}$ | $1.17\times 10^{-3}$ time 3 | .079 | $6.11\times 10^{-3}$ | $1.22\times 10^{-3}$ time 4 | .073 | $5.08\times 10^{-3}$ | $1.02\times 10^{-3}$ time 5 | .069 | $4.72\times 10^{-3}$ | $9.45\times 10^{-4}$ time 6 | .065 | $4.10\times 10^{-3}$ | $8.20\times 10^{-4}$ time 7 | .062 | $3.47\times 10^{-3}$ | $6.95\times 10^{-4}$ time 8 | .060 | $3.00\times 10^{-3}$ | $5.91\times 10^{-4}$ time 9 | .059 | $1.28\times 10^{-3}$ | $2.57\times 10^{-4}$ time 10 | .060 | — | — Table 2 shows the evolution of this population from fertilization to mating. The first column gives the time interval. The second column gives the regression average effect—the slope in the regression of phenotypic values on $\mathcal{A}_{2}$ gene count among those individuals alive at the beginning of the time interval; $\beta$ is the conventional notation for a regression coefficient. The third column gives the change in $\mathcal{A}_{2}$ frequency from the beginning of the current time interval to the beginning of the next. The fourth column gives the change in the mean genotypic fitness from the beginning of the current time interval to the beginning of the next. Because the effect of substituting $\mathcal{A}_{2}$ for $\mathcal{A}_{1}$ does not depend on the allelic type of the undisturbed gene, the experimental average effect is of course .10. In this case of additive gene action, the genotypic value is the same as the “breeding” or “additive genetic” value, which is now often denoted by the symbol $A$. Immediately after fertilization, the regression and experimental average effects coincide, as expected from the fact that genetic values and environmental disturbances are initially independent. The change in mean genetic value from fertilization to the beginning of the first time interval is equal to two times the experimental average effect times the change in allele frequency. The relation $\Delta A=2\alpha\Delta p$ in fact holds for each transition from one time interval to the next. The relation $\Delta A=2\beta\Delta p$, however, does not hold for any transition besides the first. Note the decline in $\beta$, far greater and more systematic than can be explained by sampling fluctuations, with the passage of time. What explains the increasing discrepancy between $\alpha$ and $\beta$? This is an example of what some methodologists call _selection bias_ [47, _e.g._ ,]. Suppose that intelligence and athletic ability are uncorrelated in the population at large. However, if we limit our observations to the students attending a university that uses both of these attributes as admissions criteria, then we will find that intelligence and athleticism are negatively correlated. If we learn that a student at this university is academically undistinguished, then it becomes more probable that the student is a good athlete. Otherwise the student would likely not have been admitted. Similarly, if there is some relation between fitness at different points of the lifespan, then with the passage of time the genetic and environmental causes of fitness will tend to become correlated even if they were initially independent. If we learn that a particular survivor of a rigorous selection scheme has an unfit genotype, then it becomes more probable that the organism has benefited from a favorable environment. This same principle explains why selection tends to induce deviations from Hardy-Weinberg and linkage equilibrium [4, 41, 5, 15]; if we find that a survivor has an unfit gene at one genomic position, it becomes more probable that the survivor bears fit genes at other positions. As stated previously, the dependence of genotypes and environment leads to a divergence between the experimental and regression average effects, and the latter then has no straightforward genetic interpretation. It is important to note that our example does not necessarily impugn the validity of the FTNS, under the regression definition of the average effect, with respect to organisms living in discrete time. This is because in this model the FTNS has come to be interpreted as concerning the change in mean breeding value between generations, and the correctness of the FTNS is preserved when the mean is measured upon fertilization and the regression average effect is measured at the beginning of the parental generation. However, because our model places deaths along a temporal dimension between birth and mating, it should properly be classified as a continuous-time model. The FTNS is intended to apply at every point in continuous time, and therefore our argument for the experimental definition of the average effect retains its full force for organisms following such a life cycle. Fisher knew that selection bias with respect to the outcome variable prevents regression coefficients from being interpretable. In _Statistical Methods for Research Workers_ , he pointed out that the application of a selection process to the outcome variable will change the regression line [29, p. 130]. It is thus rather curious that Fisher never mentioned this principle in connection with natural selection, a form of selection bias that is always and everywhere operating. The regression definition is made viable by stipulating the use of “true” or “intrinsic” phenotypic measurements as the outcome variable rather than the actual measurements. This approach, which we adopt in the Appendix, may be natural and inevitable in the case of multiple loci. Because of the need to know the residuals in the multilocus case, it does not seem possible to banish the concept of least-squares linear regression from the theory of average effects. The concepts of regression and causality need to work together. Needless to say, the notion of causality remains an essential partner in this collaboration. A definition calling for the regression of “true” phenotypic measurements on gene content really amounts to replacing the observed phenotypic means of the three genotypes in (7) with the experimental means, which requires the same $do$ operator incorporated in (11) and (15). The instance of $do$ in (26) actually covers two points where we must invoke experimental control: once in the determination of the genotypic means, breeding values, and non-additive residuals, and again in the replacement of randomly chosen homologous genes to resolve the non-uniqueness of the individual average effects. To capture what Fisher intended by the average effect in a formal and transparent way, we cannot easily avoid a special notation for singling out causal relations from merely correlational ones. ## 9\. Discussion [18] had the good sense to intuit that sensitivity to physical change was important to Fisher’s conception of the average effect. Indeed, among all twentieth-century scientists, Fisher might have been the one most likely to incorporate the distinction between an observed excess and a causal effect into a formal theory. The discrepancy that Falconer thought he had uncovered between Fisher’s regression and experimental definitions of the average effect can be reconciled, in the case of genotype-environment independence, by using a specific weighted average of the two possible gene substitutions rather than a naive average. If the phenotype is affected by one biallelic locus, the weights are chosen so that a population subject to gene substitutions in numbers proportional to the weights retains the same value of $\lambda=Q^{2}/(PR)$, a parameter describing the way in which alleles are combined into genotypes. If genotypes and environments interact non- additively, then the gene substitutions must also be balanced with respect to the marginal distribution of environmental states. This balancing has the desirable property of preserving the experimentally ascertained phenotypic means of the genotypes. In the case of multiple loci, there is no longer a fixed parameterization of genotype formation to which the weightings of the gene substitutions must conform, but in a loose sense the changes in the departures from random combination must average out to zero. These restrictions are requirements for a change in allele frequency “without change in the environment, or in the mating system [rules of genotype combination].” When genotypes and environments are dependent—which must always be the case, even if only slightly, as a result of natural selection—the experimental definition is to be preferred. [24] gave one reason why a definition based on experimental gene substitutions may be inferior to one based on passive observations of a static population (although later in this paper he reverted to the language of gene substitutions). He pointed out that changes in the frequencies of the different genotypes may feed back to change the phenotypic means themselves. He gave the example of experimental gene substitutions increasing milk yield, which lead to females in the next generation who can leverage their superior nourishment to provide even more milk to their own offspring. Fisher wished to discount such knock-on effects—presumably because they are too complex to form general rules about them. These knock-on effects can be positive or negative. When fitnesses are frequency-dependent, the knock-on effects of naturally selected changes in allele frequencies can steadily decrease the mean fitness of the population [44]. The approach of a female-skewed sex ratio to a stable fifty-fifty equilibrium in a polygynous species can be an example of precisely this phenomenon ([pp. 141-143]fisher:1930:gtns[p. 232]bennett:1983). Therefore Fisher consigned changes in the genotype-phenotype mapping—the $\mathbb{E}[Y\,|\,do(ij)]$—brought about by gene substitutions with all other possible such changes, including those brought about by unpredictable changes in climate, predators, parasites, and so on. Our preferred resolution of the dilemma raised by the cascade of additional phenotypic changes that may be initiated by a physical gene substitution is to stipulate the constancy of (4) and (5), for instance, in the experimental definition of the average effect. That is, the average effect is calculated on the assumption that the prevailing genotype-phenotype mapping will not itself change as a result of the gene substitutions. This is equivalent to the _stable unit treatment value assumption_ (SUTVA) in the Neyman-Rubin counterfactual framework. SUTVA may often have a reasonable interpretation. For example, in the cases of fecundity selection and frequency-dependent fitnesses of game-theoretic strategies, we may interpret each causal effect as the expected phenotypic change upon placing a manipulated organism in a virtual environment containing the same mixture of types constituting the undisturbed population. In any event finding an interpretation of SUTVA may not be important in most biological situations, so long as any frequency-dependent changes ensuing from the experimental manipulation of a few individuals can be neglected in a theoretically infinite population. It is the constancy of the $\mathbb{E}[Y\,|\,do(ij)]$ rather than the constancy of the corresponding observed phenotypic means that is satisfied by the gene substitutions defining the average effect in the case of genotype- environment dependence and interaction. This striking fact further affirms the priority of causal quantities over observables that may have no causal interpretation. A renewed understanding of the average effect is especially timely given the enablement of GWAS by modern technology and the upsurge of research into the inheritance of fitness in human populations [54]. The findings of the [12] indicate that the fine-mapping of the variants with nonzero experimental average effects responsible for a given association signal may turn out to be less onerous than was once supposed. However, care is needed as researchers isolate variants with ever smaller average effects, which will be difficult to distinguish from spurious signals generated by subtle confounding or selection bias. An appealing feature of GWAS is the availability of a complementary study design, pioneered by [53], that offers nearly the entirety of the benefits inhering in experimental control. According to Mendel’s laws, a parent passes on a randomly chosen gene from each of its homologous pairs to a given offspring. Given the applicability of Mendel’s laws, we can then treat the genotype of an offspring given the parental genotypes much like a treatment in a randomized experiment. It follows that a significant association between transmission of a particular allele and the focal phenotype cannot be the result of confounding; in the absence of selection bias, the only feasible explanation is linkage with a locus where the average effect is nonzero. Fisher himself noted this feature of family-based studies: > Genetics is indeed in a peculiarly favoured condition in that Providence has > shielded the geneticist from many of the difficulties of a reliably > controlled comparison. The different genotypes possible from the same mating > have been beautifully randomized by the meiotic process. A more perfect > control of conditions is scarcely possible, than that of different genotypes > appearing in the same litter. [25, p. 7] Family-based studies have successfully been used to replicate findings from studies of nominally unrelated individuals [35, 55], and this is another way in which the thought experiments defining the average effect are becoming less like _Gedanken_ and more like routine empirical operations. We note that when [53] introduced their family-based test, their null hypothesis was no linkage with a causal locus despite the presence of population association. This test and its variants have since often been used to test the null hypothesis that there is neither linkage nor association. We anticipate that there will be a trend back toward the original form of the test. Because parent-offspring trios and sets of siblings can be difficult to recruit and require more genotyping, investigators find it convenient to test for population association in large samples of unrelated individuals. Those markers showing evidence of association can then be interrogated, however, for linkage with loci where there are nonzero average effects. The follow-up cohorts of families will typically be much smaller and less likely to yield genome-wide significant $p$-values, but it will be reasonable to require less stringent evidence or merely overall sign agreement greatly exceeding 50 percent. This procedure can provide a check on whether the association stage is producing an acceptably low rate of false positives with respect to the causal hypothesis of a nonzero average effect—which, of course, is not strictly the same as the statistical hypothesis of a nonzero partial regression coefficient. We note that family-based studies are not immune to selection bias intervening between fertilization and the time of measurement, which may rise to an appreciable level in studies of phenotypes strongly affecting fitness. This may be a challenge for gene-trait mapping studies conducted in the near future. It may be tempting to define the average effect in terms of a hypothetical family-based study. However, whereas rejecting the null hypothesis of a zero average effect requires only the assumptions of Mendel’s laws, effect estimation requires additional assumptions and thus does not seem particularly suited for a theoretical definition after all [17]. Finally, we comment on the role of the average effect in the FTNS. We write the breeding (additive genetic) value of a given individual as $A=\sum_{\ell=1}^{L}\sum_{i_{\ell}=1}^{n_{\ell}}\chi\left(\mathcal{A}^{(\ell)}_{i_{\ell}}\right)\alpha^{(\ell)}_{i_{\ell}},$ (28) where $\chi(\cdot)$ is a function giving the number of $\mathcal{A}^{(\ell)}_{i_{\ell}}$ genes (0, 1, or 2) present in the individual’s genotype. The variance in breeding values, $\textrm{Var}(A)$, is now called the _additive genetic variance_ , and the ratio $\textrm{Var}(A)/\textrm{Var}(Y)$ the _heritability in the narrow sense_. It is important to keep in mind that these breeding values are linear functions of _experimental_ average effects; we are building up a predicted value for a given individual from the causal effects of the genes present in the genotype. The FTNS states that the partial change in mean fitness attributable to changes in allele frequencies caused by natural selection is proportional to the additive genetic variance in fitness, which can be shown to equal $2\sum_{\ell=1}^{L}\sum_{i_{\ell}=1}^{n_{\ell}}p^{(\ell)}_{i_{\ell}}a^{(\ell)}_{i_{\ell}}\alpha^{(\ell)}_{i_{\ell}},$ (29) where the meaning of $a^{(\ell)}_{i_{\ell}}$ is as follows. If genotypes and environments are independent, then this quantity is the average excess of $\mathcal{A}^{(\ell)}_{i_{\ell}}$, which is usually defined as the difference in mean fitness between the bearers of the given allele and the entire population. (29) is invariably derived under the assumption that genotypes and environments are independent. Because under our definitions the values of the experimental average effects do not depend on the extent of genotype- environment dependence, it follows that the breeding values and hence the additive genetic variance are also insensitive to genotype-environment dependence. The equality of (29) with $\textrm{Var}(A)$ is thus fully valid in our account—given the following modification regarding $a^{(\ell)}_{i_{\ell}}$. If genotypes and environments are not independent, $a^{(\ell)}_{i_{\ell}}$ in (29) is not exactly the same as the average excess defined by [28, p. 35 ]. It is rather the average excess that _would_ be observed if genotypes were distributed randomly among environments. In other words each $a^{(\ell)}_{i_{\ell}}$ only reflects confounding with other genetic loci and not with environmental causes. To repeat, this is a consequence of the fact that our experimental average effects—and hence all quantities derived from them, including the additive genetic variance—are sensitive only to the marginal distribution of environmental states. Every factor in (29), including the $a^{(\ell)}_{i_{\ell}}$, must therefore be equal to whatever they would be under genotype-environment independence, the standard setting in which (29) is calculated. If the “full” average excesses were substituted into (29), then the expression would no longer be interpretable as a variance; it could then possibly be negative. It is well known that the change in the frequency of $\mathcal{A}^{(\ell)}_{i_{\ell}}$ is proportional to the product of $p^{(\ell)}_{i_{\ell}}$ and the actual difference in mean fitness between the bearers of the given allele and the entire population [50, _e.g._ ,]. From the fact that the difference is not necessarily equal to our $a^{(\ell)}_{i_{\ell}}$, we learn that there is partition of the total change in allele frequency between the change caused by natural selection and the change attributable to how genotypes are distributed across environments varying in severity. This partition is in the same spirit of Fisher’s conditions discussed previously. Like changes in the rules of genotype formation or the $\mathbb{E}[Y\,|\,do(ij)]$, deviations from genotype- environment independence cannot generally lead to an increase in fitness, and indeed the example set out in Table 2 demonstrates that the dependence induced by natural selection itself tends to retard the frequency increase of the superior allele. Each increment of naturally selected change in allele frequency is a direct cause of a change in the mean fitness equal to $2\alpha^{(\ell)}_{i_{\ell}}$. Any discrepancy between the total change and this partial change, summed over all loci and alleles, is owed to indirect effects acting through changes in the rules of genotype formation, the distribution of environmental states, or some other determinant of fitness. This completes the FTNS: the _increase_ in the mean fitness of a population caused exclusively by the effect of natural selection on allele frequencies—setting aside those _changes_ in fitness (which can be positive or negative) ascribable to other causes—is equal to the additive genetic variance in fitness. Fisher’s contributions to biology and applied mathematics were of course numerous and profound. Judging from his writing in _The Genetical Theory_ , however, we surmise that he considered the FTNS to be the most important of his achievements. The FTNS quantifies Darwin’s notion of hereditary variation in fitness leading to adaptation and provides a deeper understanding of it. It is interesting that (29), Fisher’s “supreme law of the biological sciences,” explicitly encodes a distinction between an observed excess and a causal effect, the same distinction that animated his work on experimental design, which [43] praised as the greatest of Fisher’s contributions to statistics. The FTNS was thus another blow struck by Fisher against his scientific adversary Karl Pearson, who believed it was possible both to study evolution mathematically and to discard the notion of causality. If causality appears inevitably in the formulation of a phenomenon as fundamental as evolution by natural selection, then it surely cannot be a dispensable “fetish amidst the inscrutable arcana of modern science” [48, p. xii]. ## Acknowledgements We thank A. W. F. Edwards for sharing his unpublished work and his correspondence with the late Douglas Falconer, Sabin Lessard for helpfully answering one of our queries, and the reviewers for comments and suggestions that have greatly improved this paper. This work was supported by the Intramural Research Program of the NIDDK, NIH. ## Appendix Here we explicitly derive the conditions under which the regression and experimental definitions of average effect are equivalent. We assume that the equivalence can always be secured in a meaningful way, either because genotypes and environments are independent or because the regression has been performed on the experimental genotypic means rather than the observed genotypic means. We will often refer to an experimental average effect in the sense of an arbitrary linear combination of relevant causal effects (differences between genotypic means) and narrow down our reference to particular linear combinations as the given argument proceeds. We first treat the case of a single biallelic locus, which is of special interest because it is possible here to find explicit expressions for the weights $c_{1}$ and $c_{2}$ in (11). Let $i$ stand for $\textrm{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{1})]$, $j$ for $\textrm{E}[Y\,|\,do(\mathcal{A}_{1}\mathcal{A}_{2})]$, and $k$ for $\textrm{E}[Y\,|\,do(\mathcal{A}_{2}\mathcal{A}_{2})]$. This notation is similar to that of [19, 24]. By using the $do$ symbol, however, our argument below is meaningful even if genotypes and environments are dependent and non- additive. To minimize the sum of squares $P(i-\nu+\alpha)^{2}+2Q(j-\nu)^{2}+R[k-\nu-\alpha]^{2},$ we take partial derivatives with respect to $\nu$ and $\alpha$ and set them equal to zero. Solving the two resulting equations gives $\alpha=\frac{P(Q+R)(j-i)+R(P+Q)(k-j)}{PQ+QR+2PR},$ (A1) which can easily be recognized as equivalent to (11) in the case that genotypes and environments act additively. Using (5\. Gene-Environment Correlation and Interaction) to expand each experimental mean, we find that the numerator of (A1) becomes $c_{1}\left[\sum_{i}\textrm{Pr}(\mathcal{E}_{i})\textrm{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2},\mathcal{E}_{i})-\textrm{Pr}(\mathcal{E}_{i})\textrm{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{1},\mathcal{E}_{i})\right]\\\ +c_{2}\left[\sum_{i}\textrm{Pr}(\mathcal{E}_{i})\textrm{E}(Y\,|\,\mathcal{A}_{2}\mathcal{A}_{2},\mathcal{E}_{i})-\textrm{Pr}(\mathcal{E}_{i})\textrm{E}(Y\,|\,\mathcal{A}_{1}\mathcal{A}_{2},\mathcal{E}_{i})\right],$ (A2) which means that (A1) is also equivalent to (15). Now consider the change in the mean phenotype caused by experimental gene substitutions. The contribution to the population mean phenotype by the experimental means of the genotypes is given by $\mu=iP+2jQ+kR,$ (A3) and the change in the population mean upon effecting the gene substitutions is $d\mu=idP+2jdQ+kdR.$ (A4) The changes $dP,dQ,dR$ have two degrees of freedom. To express the changes in terms of a single change $dp$, we must obtain another condition, which can be expressed without loss of generality as $f(P,Q,R)=0$. [24] gave the condition that $\lambda=Q^{2}/(PR)$ remains constant, but his concise argument has puzzled many commentators. It turns out that Fisher set $d\mu=idP+2jdQ+kdR$ equal to $2\alpha dp$ and equated the coefficients of $i,j,k$ [8], which yields $\displaystyle dP$ $\displaystyle=-2P(Q+R)dp/S,$ $\displaystyle dQ$ $\displaystyle=Q(P-R)dp/S,$ $\displaystyle dR$ $\displaystyle=2R(P+Q)dp/S,$ (A5) where $S=P(Q+R)+R(P+Q)$. The function $f$ satisfies the differential equation $\frac{\partial f}{\partial P}dP+\frac{\partial f}{\partial Q}dQ+\frac{\partial f}{\partial R}dR=0.$ (A6) Inserting (A5) into (A6) gives $-2P(Q+R)\frac{\partial f}{\partial P}+Q(P-R)\frac{\partial f}{\partial Q}+2R(P+Q)\frac{\partial f}{\partial R}=0.$ (A7) Now $(-2P(Q+R),Q(P-R),2R(P+Q))$ and $(\frac{\partial f}{\partial p},\frac{\partial f}{\partial Q},\frac{\partial f}{\partial R})$ can be regarded as two orthogonal vectors in three-space. We want the second condition to be independent of the conservation of probability condition and not to be the trivial zero vector. By inspection, we see that a solution is given by $\displaystyle\frac{\partial f}{\partial P}$ $\displaystyle=\frac{\phi}{P},$ $\displaystyle\frac{\partial f}{\partial Q}$ $\displaystyle=\frac{-2\phi}{Q},$ $\displaystyle\frac{\partial f}{\partial R}$ $\displaystyle=\frac{\phi}{R},$ (A8) where $\phi$ is an arbitrary function of $P,Q,R$. A simple solution is given by setting $\phi$ equal to the constant $a$, whereupon (A8) can be integrated to obtain $f=-2a\ln Q+a\ln P+a\ln R+a\ln\lambda,$ (A9) which gives the condition $Q^{2a}=(\lambda PR)^{a}$. $a=1$ gives the condition expressed in terms of the classic Fisher parameter. Conversely, if we let $\phi=PRQ^{-2}$ then we get $f=PRQ^{-2}-(1/\lambda)$, which also gives the Fisher parameter. Taking the partial second derivatives gives the compatibility conditions that $\phi$ must satisfy: $\displaystyle\frac{1}{P}\frac{\partial\phi}{\partial R}$ $\displaystyle=\frac{1}{R}\frac{\partial\phi}{\partial P},$ $\displaystyle\frac{1}{P}\frac{\partial\phi}{\partial Q}$ $\displaystyle=\frac{-2}{Q}\frac{\partial\phi}{\partial P},$ $\displaystyle\frac{1}{R}\frac{\partial\phi}{\partial Q}$ $\displaystyle=\frac{-2}{Q}\frac{\partial\phi}{\partial R}.$ (A10) Hence, any differentiable function of $PRQ^{-2}$ is a solution. This then implies that $f$ can be any differentiable function of $PRQ^{-2}$ as well. This shows that the average phenotypic increment caused by a number of experimental gene substitutions is the same as the slope in the regression of the phenotype on the experimental genotypic means if the substitutions are performed in a background where any function of $PRQ^{-2}$ is held constant, with $\lambda$ being the simplest one. We now treat a phenotype affected by an arbitrary number of multiallelic loci. As shown in Section 7, the experimentally determined phenotypic means of the whole-genome genotypes can be expressed as $\mathbb{E}[Y\,|\,do(ij)]=\mu+\alpha_{ij}+\varepsilon_{ij}.$ In the remainder we abbreviate $\mathbb{E}[Y\,|\,do(ij)]$ as $G_{ij}$ and set $a_{ij}=G_{ij}-\mu$, which obeys the condition $\sum_{i,j}P_{ij}a_{ij}=0$. The average effects can be written as $\alpha_{ij}=\alpha_{i}+\alpha_{j}=\sum_{\ell}(\alpha_{i_{\ell}}^{(\ell)}+\alpha_{j_{\ell}}^{(\ell)})$ and are obtained by minimizing $\sum_{i,j}P_{ij}(a_{ij}-\alpha_{ij})^{2}.$ (A11) The minimum obeys the condition $p_{i_{k}}^{(k)}a_{i_{k}}^{(k)}=\sum_{i\nmid i_{k}}\sum_{j}P_{ij}\alpha_{ij}=\sum_{i\nmid i_{k}}\sum_{j}P_{ij}\sum_{\ell}\left(\alpha_{i_{\ell}}^{(\ell)}+\alpha_{j_{\ell}}^{(\ell)}\right),$ (A12) where $p_{i_{k}}^{(k)}a_{i_{k}}^{(k)}=\sum_{i\nmid i_{k}}\sum_{j}a_{ij}P_{ij}$ (A13) defines the average excesses. A sum running over $i\nmid i_{k}$ should be understood as a sum over all multi-indices $i$ where the $k$th element is fixed to $i_{k}$. These relations imply that $\sum_{ij}P_{ij}\alpha_{ij}=0$, which also implies that $\sum_{ij}P_{ij}\varepsilon_{ij}=0$. Equation (A12) can be rewritten as $p_{i_{k}}^{(k)}a_{i_{k}}^{(k)}=\left(p_{i_{k}}^{(k)}+q_{i_{k}i_{k}}^{(kk)}\right)\alpha_{i_{k}}^{(k)}+\sum_{\ell\neq k}\sum_{i_{\ell}}p_{i_{k}i_{\ell}}^{(k\ell)}\alpha_{i_{\ell}}^{(\ell)}+\sum_{\ell}\sum_{j_{\ell}\neq i_{k}}q_{i_{k}j_{\ell}}^{(k\ell)}\alpha_{j_{\ell}}^{(\ell)}\\\ \equiv\sum_{j_{\ell}}H^{(k\ell)}_{i_{k}j_{\ell}}\alpha_{j_{\ell}}^{(\ell)},$ (A14) where $p^{(k\ell)}_{i_{k}i_{\ell}}=\sum_{i\nmid i_{k},i_{\ell}}\sum_{j}P_{ij}$ denotes the frequency of gametes that carry $\mathcal{A}^{(k)}_{i_{k}}$ and $\mathcal{A}^{(\ell)}_{i_{\ell}}$ and $q^{(k\ell)}_{i_{k}j_{\ell}}=\sum_{i\nmid i_{k}}\sum_{j\nmid j_{\ell}}P_{ij}$ denotes the frequency of all multilocus genotypes that carry $\mathcal{A}^{(k)}_{i_{k}}$ and $\mathcal{A}^{(\ell)}_{j_{\ell}}$ on different chromosomes. The matrix $\mathsf{H}$ in (A14) is constructed as follows. Let $\mathbf{p}$ denote the vector of allele frequencies, $\mathbf{a}$ the vector of average excesses, and $\bm{\alpha}$ the vector of average effects. These vectors have length $\sum_{k}^{L}n_{k}$, and their elements are ordered by locus. We can then define $\mathsf{H}=\mathsf{D}+\mathsf{P}+\mathsf{Q},$ (A15) where $\mathsf{D}$ is the diagonal matrix with the components of $\mathbf{p}$ on the diagonal, $\mathsf{P}$ is the matrix with entries $p^{(k\ell)}_{i_{k}i_{\ell}}$ if $k\neq\ell$ and 0 otherwise, and $\mathsf{Q}$ is the matrix with entries $q^{(k\ell)}_{i_{k}j_{\ell}}$ [14, 6]. We will use the notation $\mathbf{p}\cdot\mathbf{a}$ to designate the component-wise product of the vectors $\mathbf{p}$ and $\mathbf{a}$, i.e., $(\mathbf{p}\cdot\mathbf{a})_{i}=\mathbf{p}_{i}\mathbf{a}_{i}$. (A14) can thus be rewritten again as $\bm{\alpha}=\mathsf{H}^{-1}(\mathbf{p}\cdot\mathbf{a})$ (A16) subject to suitable constraints on $\bm{\alpha}$. We will shortly see that these constraints turn out to be (17) for each locus. Given our ordering convention, the element $H^{(k\ell)}_{i_{k}j_{\ell}}$ lies in the row of $\mathsf{H}$ corresponding to allele $\mathcal{A}^{(k)}_{i_{k}}$ and the column corresponding to $\mathcal{A}^{(\ell)}_{i_{\ell}}$. The total change in $\mu$ is $d\mu=\sum_{i_{k}}\sum_{i,j}G_{ij}\frac{\partial P_{ij}}{\partial p^{(k)}_{i_{k}}}dp_{i_{k}}^{(k)}=\sum_{i_{k}}\sum_{i,j}(\mu+\alpha_{ij}+\varepsilon_{ij})\frac{\partial P_{ij}}{\partial p^{(k)}_{i_{k}}}dp_{i_{k}}^{(k)}\\\ =\sum_{i_{k}}\sum_{i,j}(\alpha_{ij}+\varepsilon_{ij})\frac{\partial P_{ij}}{\partial p^{(k)}_{i_{k}}}dp_{i_{k}}^{(k)}$ (A17) upon performing a number of experimental gene substitutions at locus $k$. Agreement of the experimental and regression average effects implies that this change must equal the change predictable from the breeding values, $d\mu=\sum_{i_{k}}\sum_{i,j}\alpha_{ij}\frac{\partial P_{ij}}{\partial p^{(k)}_{i_{k}}}dp_{i_{k}}^{(k)},$ (A18) which implies in turn that $\sum_{i,j}\sum_{i_{k}}\varepsilon_{ij}\frac{\partial P_{ij}}{\partial p^{(k)}_{i_{k}}}dp_{i_{k}}^{(k)}=0$ (A19) is a necessary and sufficient condition for the experimental and regression average effects to coincide. The bald statement that the changes in genotype frequencies must somehow nullify the non-additive residuals, however, is not very revealing. We can render (A19) into a more insightful form by noting that $\sum_{i,j}P_{ij}\sum_{\ell=1}^{L}\left(\frac{\partial p_{i_{\ell}}}{p_{i_{\ell}}}+\frac{\partial p_{j_{\ell}}}{p_{j_{\ell}}}\right)\varepsilon_{ij}=0$ (A20) because the sum over $\ell$ is a constant determined by the experimenter. Using this, from (A19) we obtain $\sum_{ij}P_{ij}\left[\frac{1}{P_{ij}}\frac{\partial P_{ij}}{\partial p^{(k)}_{i_{k}}}-\sum_{\ell}\left(\frac{\partial p_{i_{\ell}}}{p_{i_{\ell}}}+\frac{\partial p_{j_{\ell}}}{p_{j_{\ell}}}\right)\right]\varepsilon_{ij}=0,$ (A21) which leads to (24). This argument, which simplifies one given by [36], can be used to construct a variety of quantities measuring departures from random combination. The $\theta_{ij}$ appear to be the simplest such quantities. The criterion (A21) does not pick out a unique weighting of the possible gene substitutions for a given genetic architecture. It would be of great significance if a subset of the possible weights could be characterized in a manner that does not depend on the non-additive residuals. We have done this for a single biallelic locus, where the subset contains the singleton weighting of the two possible gene substitutions that conserves $\lambda$. If a general procedure for constructing such a residual-free characterization for any number of loci exists, then the following argument should be able to find it. The contribution of the experimental genotypic means to the population mean is $\mu=\sum_{i,j}G_{ij}P_{ij}.$ (A22) The definition of the experimental average effect can be written as $\alpha_{i_{k}}^{(k)}=\frac{1}{2}\frac{\partial\mu}{\partial p_{i_{k}}^{(k)}}.$ (A23) Imposing constancy of the experimental means, we can write the change in the population mean due to a change in frequency of allele $\mathcal{A}^{(k)}_{i_{k}}$ as $\frac{\partial}{\partial p^{(k)}_{i_{k}}}\mu=\sum_{i,j}G_{ij}\frac{\partial P_{ij}}{\partial p^{(k)}_{i_{k}}}=\sum_{i,j}(G_{ij}-\mu)\frac{\partial P_{ij}}{\partial p^{(k)}_{i_{k}}}=\sum_{i,j}a_{ij}\frac{\partial P_{ij}}{\partial p^{(k)}_{i_{k}}},$ (A24) using the fact that $\sum_{i,j}\frac{\partial}{\partial p^{(k)}_{i_{k}}}P_{ij}=0$. The indeterminacy in the partial derivatives with respect to allele frequency will be resolved by the properties of $\bm{\lambda}$ in (19) that emerge from the subsequent analysis. Substituting (A24) and (A23) into (A14) using (A13) gives the condition $\sum_{i\nmid i_{k}}\sum_{j}a_{ij}P_{ij}=\frac{1}{2}\sum_{j}\sum_{j_{\ell}}H^{(k\ell)}_{i_{k}j_{\ell}}\sum_{m,n}a_{mn}\frac{\partial P_{mn}}{\partial p^{(\ell)}_{j_{\ell}}}$ (A25) for each $i_{k}$ and $k$. Closed-form solutions of these partial differential equations will not exist in general. However, using symmetry conditions and properties of $\mathsf{H}$, we may infer some necessary conditions on the genotype frequencies that must be satisfied. We first note that the image space of $\mathsf{H}$ contains all permissible vectors of allele-frequency changes [37]. Since $\mathsf{H}$ is invertible on its image space, we may operate on (A25) by the inverse of $\mathsf{H}$ (which we call $\mathsf{J}$) and thereby separate the PDE system into a set of $\sum n_{\ell}$ ordinary differential equations, which we denote by $2\sum_{i_{k}}J_{j_{k}i_{k}}p_{i_{k}}^{(k)}a_{i_{k}}^{(k)}=\sum_{m,n}a_{mn}\frac{\partial P_{mn}}{\partial p^{(k)}_{j_{k}}}.$ (A26) We may now select any row of (A26), expand the $p_{i_{k}}^{(k)}a_{i_{k}}^{(k)}$ in terms of the $a_{mn}$, and equate the LHS and RHS coefficients of $a_{mn}$. This will result in a set of $\prod n_{\ell}\times\prod n_{\ell}$ ordinary differential equations of the form $\frac{1}{P_{mn}}\frac{\partial P_{mn}}{\partial p^{(k)}_{j_{k}}}=\phi_{mn}(j_{k}),$ (A27) where $\phi_{mn}(j_{k})$ is some linear combination of the elements of the vector $J_{j_{\ell}=j_{k},i_{\ell}}$. From this point the $a_{mn}=\alpha_{mn}+\varepsilon_{mn}$ no longer appear in the argument, and it follows that we must be finding properties of a solution that depends on neither the breeding values nor the non-additive residuals. Conserved quantities imposed by (A25), which can be used to form elements of $\bm{\lambda}$, can be constructed by taking linear combinations of the ODEs such that $\sum_{m,n}\sigma_{mn}\frac{1}{P_{mn}}\frac{\partial P_{mn}}{\partial p^{(k)}_{j_{k}}}=0,$ (A28) from which we obtain conserved measures of departure from random combination assuming the form $\frac{\prod_{\\{\sigma>0\\}}P_{\alpha\beta}}{\prod_{\\{\sigma<0\\}}P_{\gamma\delta}}=\lambda_{\sigma},$ (A29) where $\sigma_{mn}$ is some set of coefficients that are positive, zero, or negative. These conserved quantities will form a set of necessary conditions for the equivalence of the experimental and regression definitions of the average effects. Note that the coefficients of $a_{mn}$ on the LHS of (A26) are grouped according to the $a_{i_{k}}^{(k)}$. Thus all of the $a_{mn}$ expressed in a given $a_{i_{k}}^{(k)}$ will have the same coefficient (one of the elements of $\mathsf{J}$). We can thus construct conserved measures of Hardy-Weinberg and linkage disequilibrium without an explicit calculation of $\mathsf{J}$ because we know which sets of coefficients are equal. Our first numerical example is of a single locus with three alleles (Table A1). The case of a single locus with any number of alleles was analytically treated by [32]. The equating of coefficients along the $i$th row of (A26) leads to the matrix of equations $\begin{pmatrix}J_{i1}=\dfrac{1}{P_{11}}\dfrac{\partial P_{11}}{\partial p_{i}}&J_{i1}=\dfrac{1}{P_{12}}\dfrac{\partial P_{12}}{\partial p_{i}}&J_{i2}=\dfrac{1}{P_{21}}\dfrac{\partial P_{21}}{\partial p_{i}}\\\ &&\\\ J_{i2}=\dfrac{1}{P_{22}}\dfrac{\partial P_{22}}{\partial p_{i}}&J_{i1}=\dfrac{1}{P_{13}}\dfrac{\partial P_{13}}{\partial p_{i}}&J_{i3}=\dfrac{1}{P_{31}}\dfrac{\partial P_{31}}{\partial p_{i}}\\\ &&\\\ J_{i3}=\dfrac{1}{P_{33}}\dfrac{\partial P_{33}}{\partial p_{i}}&J_{i2}=\dfrac{1}{P_{23}}\dfrac{\partial P_{23}}{\partial p_{i}}&J_{i3}=\dfrac{1}{P_{32}}\dfrac{\partial P_{32}}{\partial p_{i}}\\\ \end{pmatrix}$ (A30) for allele $i$. The notation $P_{ij}$ now means the ordered genotype with alleles $i$ and $j$. This matrix gives a set of nine conditions plus conservation of probability that must be satisfied to ensure the equality of (A25). However, given that there are only six unique genotypes, these conditions are overdetermined and will not necessarily be solvable. We can attempt to formulate a solvable set by combining these conditions. We can see that the second and third elements in a given row of this matrix must equal the sum of the elements in the first column corresponding to the homozygous bearers of the relevant alleles. For example, $\frac{1}{P_{12}}\frac{\partial P_{12}}{\partial p_{i}}+\frac{1}{P_{21}}\frac{\partial P_{21}}{\partial p_{i}}=\frac{1}{P_{11}}\frac{\partial P_{11}}{\partial p_{i}}+\frac{1}{P_{22}}\frac{\partial P_{22}}{\partial p_{i}}=J_{i1}+J_{i2},$ (A31) and these equations lead collectively to the three conserved measures of Hardy-Weinberg disequilibrium $\lambda_{12}=\frac{P_{12}^{2}}{P_{11}P_{22}},\quad\lambda_{13}=\frac{P_{13}^{2}}{P_{11}P_{33}},\quad\lambda_{23}=\frac{P_{23}^{2}}{P_{22}P_{33}}.$ (A32) Two of the allele frequencies and these three conserved quantities appear to be a complete specification of the six genotype frequencies. By the implicit function theorem, invertibility of the Jacobian at any solution ($p_{1}$, $p_{2}$, $\lambda_{12}$, $\lambda_{13}$, $\lambda_{23}$) specifying a valid vector of genotype frequencies ensures that there are unique solutions for small perturbations of the allele frequencies. Numerical testing suggests that invertibility of the Jacobian is a generic property of this five-dimensional system. Table A1: A trait affected by a single triallelic locus. genotype | $\mathbb{E}[Y\,|\,do(\cdot)]$ | frequency | $\varepsilon$ ---|---|---|--- $\mathcal{A}_{1}\mathcal{A}_{1}$ | 10 | .2 | $-.3402778$ $\mathcal{A}_{2}\mathcal{A}_{2}$ | 13 | .2 | .2152778 $\mathcal{A}_{3}\mathcal{A}_{3}$ | 12 | .2 | $-.6875$ $\mathcal{A}_{1}\mathcal{A}_{2}$ | 11 | .2 | $-.5625$ $\mathcal{A}_{1}\mathcal{A}_{3}$ | 14 | .1 | 2.4861111 $\mathcal{A}_{2}\mathcal{A}_{3}$ | 13 | .1 | .2638889 Given the numerical values in Table A1, what is the experimental average effect of substituting $\mathcal{A}_{2}$ for $\mathcal{A}_{1}$? There are three ways in which this gene substitution can be brought about: $\mathcal{A}_{1}\mathcal{A}_{1}$ $\rightarrow$ $\mathcal{A}_{1}\mathcal{A}_{2}$, $\mathcal{A}_{1}\mathcal{A}_{2}$ $\rightarrow$ $\mathcal{A}_{2}\mathcal{A}_{2}$, and $\mathcal{A}_{1}\mathcal{A}_{3}$ $\rightarrow$ $\mathcal{A}_{2}\mathcal{A}_{3}$. The causal effects of these three substitutions are 1, 2, and $-1$ respectively. We first attempt to satisfy the weaker criterion that (24) is equal to zero by determining which weighted average of the first two substitutions yields the smallest absolute value of $\overline{\varepsilon\,\mathring{\theta}}$. To calculate a discrete approximation of the $\mathring{\theta}_{ij}$, we use a population size of 10,000. We examine all integer weights such that the weights sum to 90. There are 91 such weighted averages, and it turns out that the weights $(70,20)$ yield the minimum. In fact, the absolute value of $\overline{\varepsilon\,\mathring{\theta}}$ yielded by these weights is roughly $1.5\times 10^{-16}$, which is nearly within machine error of zero. The 90 other weighted averages lead to absolute values of $\overline{\varepsilon\,\mathring{\theta}}$ exceeding $1\times 10^{-4}$. These weights lead to an experimental average effect, $\alpha_{2}-\alpha_{1}$, equaling 11/9. In the case of a single locus, the regression average effects (which we now denote by $\beta$) do not require the imposition of (17) to be identified, and the calculations yielding the values of the $\varepsilon_{ij}$ in Table A1 also give us ($-0.7798611$, 0.4423611, 0.39375) as the numerical value of ($\beta_{1}$, $\beta_{2}$, $\beta_{3}$). It appears that $\beta_{2}-\beta_{1}$ is exactly equal to 11/9. We can use a different pair of substitutions, say $\mathcal{A}_{1}\mathcal{A}_{2}$ $\rightarrow$ $\mathcal{A}_{2}\mathcal{A}_{2}$ and $\mathcal{A}_{1}\mathcal{A}_{3}$ $\rightarrow$ $\mathcal{A}_{2}\mathcal{A}_{3}$, to yield the experimental average effect $\alpha_{2}-\alpha_{1}$. We examine all integer weightings of these two substitutions such that the weights sum to 270. It turns out that the weighting $(200,70)$ yields the minimum. The absolute value of $\overline{\varepsilon\,\mathring{\theta}}$ yielded by these weights is roughly $4\times 10^{-16}$, again nearly within machine error of zero, whereas the 270 other weighted averages all lead to absolute values of $\overline{\varepsilon\,\mathring{\theta}}$ exceeding $3\times 10^{-4}$. These minimizing weights again lead to an experimental average effect of 11/9. It is rather interesting that the neighboring weights $(199,71)$ and $(201,69)$ lead to such higher values of $\overline{\varepsilon\,\mathring{\theta}}$ despite the numerical closeness of these weighted averages and the fineness of our discretization. In fact, we have chosen to present this example because of this phenomenon, which we conjecture to be related to the fact that the $\alpha_{2}-\alpha_{1}$ happens to be rational and thus exactly equal to some integer-weighted average of the causal effects. Evidently it should not be possible to obtain a valid average effect by using only the substitutions $\mathcal{A}_{1}\mathcal{A}_{1}$ $\rightarrow$ $\mathcal{A}_{1}\mathcal{A}_{2}$ and $\mathcal{A}_{1}\mathcal{A}_{3}$ $\rightarrow$ $\mathcal{A}_{2}\mathcal{A}_{3}$. Examining all integer weights summing to 1000, we find that $\overline{\varepsilon\,\mathring{\theta}}$ declines linearly from $(0,1000)$ to $(1000,0)$; the absolute minimum of $\overline{\varepsilon\,\mathring{\theta}}$ is thus attained at a boundary, and it is not especially small ($\sim 2\times 10^{-2}$). We examine whether our conception of individual average effects is valid. Using the method of minimizing $\overline{\varepsilon\,\mathring{\theta}}$, we find that $\alpha_{2}-\alpha_{3}$ is approximately .049. According to our notion of substituting $\mathcal{A}_{2}$ for a random homologous gene, $\alpha_{2}$ must be equal to $p_{1}(\alpha_{2}-\alpha_{1})+p_{3}(\alpha_{2}-\alpha_{3})$. In our example ($p_{1}$, $p_{2}$, $p_{3}$) happens to be (.35, .35, .30), which leads to $.4425$ as the approximate numerical value of $\alpha_{2}$. This is in good agreement with $\beta_{2}$. Continuing this exercise, we can satisfy ourselves that ($\alpha_{1}$, $\alpha_{2}$, $\alpha_{3}$) and ($\beta_{1}$, $\beta_{2}$, $\beta_{3}$) are equal. We now attempt to satisfy the stronger criterion that the quantities in (A32) remain constant. The numerical value of ($p_{1}$, $p_{2}$, $\lambda_{12}$, $\lambda_{13}$, $\lambda_{23}$) is (35/100, 35/100, 1/4, 1/16, 1/16), and a perturbation of ($-1/1000$, $1/1000$, 0, 0, 0) leads to a numerical solution that specifies another valid vector of genotype frequencies. The weighting of the possible gene substitutions satisfying the changes in genotype frequencies is typically not unique. In a population of size $10^{8}$, one permissible vector of weights for our example can be reasonably well approximated by ${\mathcal{A}_{1}\mathcal{A}_{1}}$${\mathcal{A}_{1}\mathcal{A}_{2}}$${\mathcal{A}_{2}\mathcal{A}_{2}}$${\mathcal{A}_{3}\mathcal{A}_{3}}$${\mathcal{A}_{1}\mathcal{A}_{3}}$${\mathcal{A}_{2}\mathcal{A}_{3}}$88,82188,951622,2226 (A33) where the label of each arrow indicates how many gene substitutions of that kind are to be performed. Notice that there are 12 gene substitutions involving a genotype containing the allele $\mathcal{A}_{3}$. For each $\mathcal{A}_{3}$ gene created by $\mathcal{A}_{1}\mathcal{A}_{3}$ $\rightarrow$ $\mathcal{A}_{3}\mathcal{A}_{3}$, another $\mathcal{A}_{3}$ is destroyed by $\mathcal{A}_{2}\mathcal{A}_{3}$ $\rightarrow$ $\mathcal{A}_{2}\mathcal{A}_{2}$, and the net result is the same frequency of $\mathcal{A}_{3}$. These 12 substitutions turn out to be a way of decreasing the number of $\mathcal{A}_{1}$ genes and increasing the number of $\mathcal{A}_{2}$ without directly converting one to the other. We might as well pair each $\mathcal{A}_{1}\mathcal{A}_{3}$ $\rightarrow$ $\mathcal{A}_{3}\mathcal{A}_{3}$ with $\mathcal{A}_{2}\mathcal{A}_{3}$ $\rightarrow$ $\mathcal{A}_{2}\mathcal{A}_{2}$, treating each such pair as a single substitution. The weighted average of the gene substitutions is then $\frac{88,821(1)+88,951(2)+22,222(-1)+6(-2+0)}{88,821+88,951+22,222+6},$ which diverges from 11/9 at the fourth decimal place. We now apply our argument to the case of two biallelic loci. Here we will encounter a contradiction. The equating of coefficients along the row of (A26) corresponding to allele $\mathcal{A}^{(k)}_{i_{k}}$ now leads to the matrix of equations $\begin{pmatrix}J_{i1}+J_{i3}=\frac{1}{P_{11,11}}\frac{\partial P_{11,11}}{\partial p^{(k)}_{i_{k}}}&J_{i1}+J_{i4}=\frac{1}{P_{12,11}}\frac{\partial P_{12,11}}{\partial p^{(k)}_{i_{k}}}&J_{i2}+J_{i3}=\frac{1}{P_{21,11}}\frac{\partial P_{21,11}}{\partial p^{(k)}_{i_{k}}}&J_{i2}+J_{i4}=\frac{1}{P_{22,11}}\frac{\partial P_{22,11}}{\partial p^{(k)}_{i_{k}}}\\\ J_{i1}+J_{i3}=\frac{1}{P_{11,12}}\frac{\partial P_{11,12}}{\partial p^{(k)}_{i_{k}}}&J_{i1}+J_{i4}=\frac{1}{P_{12,12}}\frac{\partial P_{12,12}}{\partial p^{(k)}_{i_{k}}}&J_{i2}+J_{i3}=\frac{1}{P_{21,12}}\frac{\partial P_{21,12}}{\partial p^{(k)}_{i_{k}}}&J_{i2}+J_{i4}=\frac{1}{P_{22,12}}\frac{\partial P_{22,12}}{\partial p^{(k)}_{i_{k}}}\\\ J_{i1}+J_{i3}=\frac{1}{P_{11,21}}\frac{\partial P_{11,21}}{\partial p^{(k)}_{i_{k}}}&J_{i1}+J_{i4}=\frac{1}{P_{12,21}}\frac{\partial P_{12,21}}{\partial p^{(k)}_{i_{k}}}&J_{i2}+J_{i3}=\frac{1}{P_{21,21}}\frac{\partial P_{21,21}}{\partial p^{(k)}_{i_{k}}}&J_{i2}+J_{i4}=\frac{1}{P_{22,21}}\frac{\partial P_{22,21}}{\partial p^{(k)}_{i_{k}}}\\\ J_{i1}+J_{i3}=\frac{1}{P_{11,22}}\frac{\partial P_{11,22}}{\partial p^{(k)}_{i_{k}}}&J_{i1}+J_{i4}=\frac{1}{P_{12,22}}\frac{\partial P_{12,22}}{\partial p^{(k)}_{i_{k}}}&J_{i2}+J_{i3}=\frac{1}{P_{21,22}}\frac{\partial P_{21,22}}{\partial p^{(k)}_{i_{k}}}&J_{i2}+J_{i4}=\frac{1}{P_{22,22}}\frac{\partial P_{22,22}}{\partial p^{(k)}_{i_{k}}}\\\ \end{pmatrix}$ (A34) plus conservation of probability that must be satisfied to ensure the equality of (A25). An argument analogous to the one below (A30) shows that six quantities of the form $\lambda_{ij}=\frac{P_{ij}^{2}}{P_{ii}P_{jj}}$ (A35) must be conserved. If we do not assume that the double heterozygotes are phenotypically equivalent, then these six measures of Hardy-Weinberg disequilibrium, the allele frequencies at the two loci, and conservation of probability leave one more condition to specify ten genotype frequencies. Rearrange each element of (A34) to put the genotype frequency on one side and form the four column sums. Each such sum is the marginal frequency of a gamete. For example, we have $P_{11}=(J_{i1}+J_{i3})^{-1}\sum_{11,j}\frac{\partial P_{11,j}}{\partial p^{(k)}_{i_{k}}},$ (A36) which implies that $J_{i1}+J_{i3}=\frac{1}{P_{11}}\frac{\partial P_{11}}{\partial p^{(k)}_{i_{k}}}.$ (A37) Combining all columns, we get $\frac{\partial P_{11}}{\partial p^{(k)}_{i_{k}}}+\frac{\partial P_{22}}{\partial p^{(k)}_{i_{k}}}-\frac{\partial P_{12}}{\partial p^{(k)}_{i_{k}}}-\frac{\partial P_{21}}{\partial p^{(k)}_{i_{k}}}=0,$ (A38) which yields the condition that $\zeta=\frac{P_{11}P_{22}}{P_{12}P_{21}}$ (A39) remains constant. $\zeta$ is the measure introduced by [34], and the multi- index notation immediately reveals that it is equal to unity in linkage equilibrium. The equality of the regression and experimental average effects for constant $\bm{\lambda}=(\lambda_{11,21},\ldots,\lambda_{12,22},\zeta)$ appears to conflict with the result of [40] that the stipulation of $\Delta\zeta=0$ and random mating to reset the $\lambda_{ij}$ to unities among zygotes does not lead to the change in the mean phenotype equaling the summed products of average effects and changes in allele frequencies (in the case that the phenotype is fitness). Our next numerical example shows that we have indeed reached a contradiction (Table A2). Table A2: A trait affected by two biallelic loci. genotype | $\mathbb{E}[Y\,|\,do(\cdot)]$ | frequency | $\varepsilon$ ---|---|---|--- $\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{1}/\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{1}$ | 17 | .054 | 5.0100265 $\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{2}/\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{1}$ | 12 | .036 | $-1.438691$ $\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{2}/\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{2}$ | 13 | .257 | $-.8874187$ $\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{1}/\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{1}$ | 14 | .140 | $-.3345667$ $\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{2}/\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{1}$ | 18 | .080 | $-.7832893$ $\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{1}/\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{2}$ | 10 | .039 | $-4.7832893$ $\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{2}/\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{2}$ | 16 | .066 | 4.7679882 $\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{1}/\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{1}$ | 15 | .041 | $-.6791599$ $\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{1}/\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{2}$ | 11 | .029 | $-3.2178824$ $\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{2}/\mathcal{A}^{(1)}_{2}\mathcal{A}^{(2)}_{2}$ | 20 | .258 | .4233950 Numerical testing suggests that invertibility of the Jacobian is also a generic property of the nine-dimensional system ($p^{(1)}$, $p^{(2)}$, $\lambda_{11,21}$, …, $\lambda_{12,22}$, $\zeta$). We numerically update the vector of genotype frequencies in Table A2 by increasing the frequency of allele $\mathcal{A}^{(1)}_{2}$ by $10^{-6}$. The regression average effect at locus 1, as determined by the Levenberg-Marquardt algorithm, is approximately 2.4934. However, when we multiply this by two times $10^{-6}$, the result does not closely agree with $G_{ij}\Delta P_{ij}$. The discrepancy is close to 12 percent and does not diminish as $\Delta p^{(1)}$ is made smaller. We conclude that we have falsified our initial assumption that a residual-free description of the average effects always exists. Sampling vectors of initial genotype frequencies from the Dirichlet distribution, we find that the changes implied by constancy of $\bm{\lambda}$ in the case of two biallelic loci do not typically produce such a large discrepancy. The error is usually less than 7 percent. This suggests to us that there may exist a subset of weights, distinguished by the changes in the departures from random combination all being “small” in some sense, that can be mathematically described. We leave this issue to future research. The vanishing of $\overline{\varepsilon\,\mathring{\theta}}$ is still an applicable criterion. For example, the genotype $\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{2}$/ $\mathcal{A}^{(1)}_{1}\mathcal{A}^{(2)}_{1}$ can be transformed into either double heterozygote, depending on whether the left or right gene at locus 1 is the target of the substitution. In one case the causal effect is 6, and in the other it is $-2$. Among all integer weightings of these two substitutions summing to 1000, the weights (562, 438) yield the minimum. 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arxiv-papers
2013-04-06T02:42:08
2024-09-04T02:49:43.931090
{ "license": "Public Domain", "authors": "James J. Lee and Carson C. Chow", "submitter": "James Lee", "url": "https://arxiv.org/abs/1304.1844" }
1304.1851
# Managing Interference Correlation Through Random Medium Access Yi Zhong, Wenyi Zhang, _Senior Member, IEEE_ and Martin Haenggi, _Senior Member, IEEE_ Y. Zhong and W. Zhang are with Department of Electronic Engineering and Information Science, University of Science and Technology of China, Hefei 230027, China (email: [email protected], [email protected]). M. Haenggi is with Department of Electrical Engineering, University of Notre Dame, Notre Dame, IN 46556, USA (email: [email protected]). The research has been supported by the National Basic Research Program of China (973 Program) through grant 2012CB316004, National Natural Science Foundation of China through grant 61071095, MIIT of China through grant 2011ZX03001-006-01, and by the US NSF through grant CCF 1216407. ###### Abstract The capacity of wireless networks is fundamentally limited by interference. However, little research has focused on the interference correlation, which may greatly increase the local delay (namely the number of time slots required for a node to successfully transmit a packet). This paper focuses on the question whether increasing randomness in the MAC, specifically frequency- hopping multiple access (FHMA) and ALOHA, helps to reduce the effect of interference correlation. We derive closed-form results for the mean and variance of the local delay for the two MAC protocols and evaluate the optimal parameters that minimize the mean local delay. Based on the optimal parameters, we identify two operating regimes, the correlation-limited regime and the bandwidth-limited regime. Our results reveal that while the mean local delays for FHMA with $N$ sub-bands and for ALOHA with transmit probability $p$ essentially coincide when $p=\frac{1}{N}$, a fundamental discrepancy exists between their variances. We also discuss implications from the analysis, including an interesting mean delay-jitter tradeoff, and convenient bounds on the tail probability of the local delay, which shed useful insights into system design. ###### Index Terms: ALOHA, frequency-hopping, interference correlation, local delay, Poisson point process, stochastic geometry. ## I Introduction ### I-A Motivation A main limitation to the capacity of wireless communication systems is interference, which depends upon a number of factors, including the locations of interfering transmitters. The issue of interference has been studied extensively in the literature; however, much less attention has been paid to the topic of interference correlation until recently. Interference correlation generally captures the fact that the interference created by interfering transmitters is a correlated stochastic process both spatially and temporally. It is well recognized that correlated fading reduces the performance gain in multi-antenna communications [1]. Likewise, it has recently been also proved that interference correlation decreases the diversity gain [2][3]. Interference correlation partially comes come from correlated channel attenuation, like correlated fading and shadowing, but more importantly, such correlation stems from the spatial distribution of transmitters and the MAC protocols since they determine the locations and the active pattern of the interferers, which then determine the structure of the interference. The lines of recent research can be divided into three categories based on different configurations for the receiver: * • Correlation between different time slots: Assume that the receiver is equipped with a single antenna. This line of research explored the interference correlation at the same receiver between different time slots. Related works include [4, 5, 6, 3]. * • Correlation between different receive antennas: Assume that the receiver is equipped with co-located multiple antennas. The correlation between different antennas exists because the interferences received by different antennas come from the same source of transmitters. Related works include [2]. * • Correlation between different receivers: This refers to the interference correlation between different receivers which are separated (a few wavelengths apart). Since the network may make use of relay and cooperative transmission, it is necessary to consider this type of interference correlation for an accurate analysis. Related works include [5]. In this work, we focus on the interference correlation between different time slots at the same receiver, i.e., the temporal correlation. The interference power constitutes a stochastic process, wherein the randomness comes from three sources: the spatial distribution of nodes, the fading and the MAC. The interferences at two different time slots are correlated because they come from correlated sets of transmitters and the fading, shadowing and traffic may also be correlated. In this paper, we only focus on the correlation caused by the spatial distribution of transmitters and the MAC, assuming that fading and shadowing are independent. This type of correlation brings about the fact that if transmission fails in a previous time slot, there is a significant probability that the subsequent transmission will also fail in the next few time slots [3][5]. Thus a simple retransmission mechanism may not be an effective method. The most direct impact of this type of correlation is the increase of the local delay. Local delay is defined as the number of time slots required by a node to successfully transmit a packet to its next-hop node111The definition of local delay in our work is consistent with [7]. In some other works, like [6], the local delay denotes the _mean_ number of time slots required to successfully transmit a packet.. As a motivating example, consider a spatial network without mobility or fading and without a MAC coordinating. Hence the interference power experienced by a receiver remains fixed for all time slots; it is a randomly variable uniquely determined by the spatial distribution of nodes. The local delay, as a random variable, in that extreme case is two-valued: either one frame (good realization of the spatial distribution of nodes) or infinite (bad realization of the spatial distribution of nodes). In this case, the transmission success events are fully correlated (one success implies success in each time slot, and vice versa), and the mean local delay is infinite. In view of this, we consider some forms of man-made randomization by introducing MAC dynamics to reduce the interference correlation. The following analysis will be carried out in parallel under two different kinds of MAC protocols: * • FHMA (Frequency-hopping multiple access): FHMA is implemented by simply dividing the entire frequency band into $N$ sub-bands and letting each transmitter independently choose a sub-band uniformly randomly in each time slot. We focus on slow frequency-hopping, i.e., hopping at the time scale of a time slot, not at the time scale of a symbol. There are three benefits by splitting the entire frequency bands into sub-bands. First and foremost, it increases the uncertainty in the active pattern of interfering nodes, thereby reducing the effect of interference correlation. Second, the interference for a given transmission is also reduced because the intensity of the interfering transmitters are scaled by $\frac{1}{N}$. Third, the noise power is also scaled by $\frac{1}{N}$ since each transmission occurs in a narrow sub-band. Meanwhile, on the other side, splitting into sub-bands scales down the rate. * • ALOHA: In ALOHA, if a packet is to be transmitted during a time slot, the packet will only be transmitted with a certain probability using the entire frequency band. Decreasing the transmit probability increases the uncertainty in the active pattern of interfering nodes and reduces the interference, while the noise power will not be reduced. Meanwhile, transmitting probabilistically scales down the rate. Since FHMA is often viewed as a spread-spectrum technique, we briefly comment on DS-CDMA. For synchronous orthogonal CDMA like those using Walsh codes, a receiver can in theory completely reject arbitrarily strong signals from interfering transmitters using different spreading sequences; thus, only those transmitters using the same spreading sequence as the desired link will cause interference. If the spreading sequence is randomly chosen for each transmission, the analysis and results of the local delay are exactly the same as that for FHMA. For asynchronous CDMA using pseudo-noise (PN) sequences, the interference comes from all transmitters and is usually approximated as Gaussian noise in the literature. The works in [8] and [9] have discussed the difference between asynchronous CDMA and FHMA in terms of outage probability and throughput. In asynchronous CDMA, although the desired signal is increased by the processing gain, the interference still comes from all transmitters. Therefore, the analysis of the local delay is similar as that for FHMA with $N=1$, i.e., no bandwidth splitting is employed. We will show that in this case the distribution of the local delay has a heavy tail, which results in an infinite mean local delay. ### I-B Related Works Recently, the tools from stochastic geometry [10] have been used extensively in modeling and analysis of wireless communication systems; see, e.g., [11, 12, 13, 14] and references therein. This mathematical framework permits the derivation of closed-form results for various system metrics and makes it possible to evaluate the interference correlation. A number of works considering the related problems are as follows. In [5] the authors evaluated the spatio-temporal correlation coefficient of the interference and the joint probability of success in ALOHA networks, and in [4] the authors calculated the correlation coefficient of interference under different assumptions of dependence. The framework for the analysis of the local delay was provided in [6][7][15][16], where different scenarios were considered and it was observed that the mean local delay may be infinite under certain system parameters. The work in [17] extended the results to the case of finite mobility. In [18], a new model, which characterizes different degrees of temporal dependence, was proposed to evaluate the local delay by using joint interference statistics. In [19], the optimal power control policies for different fading statistics were proposed to minimize the mean local delay. All the above works are based on the Poisson point process (PPP) model, while the work in [20] analyzed the local delay in clustered networks. ### I-C Contributions In this work, we focus on the question that whether increasing randomness in the MAC helps reduce the local delay. We apply the so-called Poisson bipolar model (see [13, Sec. 5.3]), and derive the mean and variance of the local delay under FHMA and ALOHA. Based on the mean and variance of the local delay we have derived, we explore the essential difference between the two MAC protocols. We also evaluate the optimal number of sub-bands for FHMA and the optimal transmit probability for ALOHA that minimize the mean local delay. The issue of optimizing the number of sub-bands was also considered in [21], where the optimal number of sub-bands is derived to maximize the number of concurrent transmissions. However, such outage-based framework used in [21] cannot capture the effects of correlated interference. In the last part of our work, we evaluate the mean delay-jitter tradeoff and the bounds on the tail probability of the local delay, both of which are critical issues for the system design. Our results reveal that the means of the local delay of the two protocols, FHMA and ALOHA, coincide when the number of sub-bands $N$ in FHMA is equal to the reciprocal of the transmit probability $p$ in ALOHA (with thermal noise ignored). However, the variances of the local delay for the two protocols are drastically different: when $p=\frac{1}{N}$ and $N\rightarrow\infty$, the variance in FHMA converges to a constant which is typically small, while in ALOHA the variance scales as $\Theta(N^{2})$. Moreover, we calculate bounds on the complementary cumulative distribution function (ccdf) of the local delay when no MAC dynamic is introduced. In that case, the distribution of the local delay has a heavy tail, which results in an infinite mean local delay. By employing the MAC randomness of either FHMA or ALOHA, the ccdf of the local delay will decay fast, and the mean local delay will then be finite. This observation reveals the underlying mechanism why even such simple MAC protocols can greatly reduce the local delay. The remaining part of this paper is organized as follows. Section II describes the network model and the MAC protocols. Section III then establishes the main analytical results of this paper, including the mean and variance of the local delay for FHMA and for ALOHA. Section IV evaluates the optimal number of sub- bands for FHMA and the optimal transmit probability for ALOHA that minimize the mean local delay. Section V evaluates the optimal SINR threshold that minimizes the mean local delay. Section VI presents the mean delay-jitter tradeoff and the bounds on the tail probability of the local delay, and Section VII offers the concluding remarks. ## II System Model ### II-A Network Model To obtain the most essential features, we consider the widely used Poisson bipolar model. In this model, the locations of the transmitters are modeled as a PPP $\Phi=\\{x_{i}\\}\subset\mathbb{R}^{d}$ of intensity $\lambda$. Each transmitter is associated with one receiver which is at a fixed distance $r_{0}$ to the corresponding transmitter. In the analysis, we will condition on a particular desired transmitter $x_{0}\in\Phi$, and denote by $r_{0}=|x_{0}|$ the distance from this transmitter to the origin where the receiver resides. Such conditioning is equivalent to adding the point $x_{0}$ to the PPP and guarantees that the link between $x_{0}$ and the origin is a typical link, in the sense that this link behaves statistically the same as all other links (see [13, Ch. 8]). Figure 1: Spatial distribution of different network entities. We assume that the time is divided into discrete slots with equal duration. Each transmission attempt occupies one time slot, and if a transmission fails in a certain time slot, a retransmission will be conducted. The local delay is defined as the number of time slots until a packet is successfully received [6][7]. In this paper, we assume fully backlogged nodes so that whenever a node is scheduled to access the channel it always has data to transmit. The local delay is thus basically the transmission delay, but not the queueing delay. For the propagation model, we consider the common path loss $l(r)=\kappa r^{-\alpha}$, where $\alpha$ is the path loss exponent and $\kappa$ is a constant. We will further discuss the effect of bounded path loss $l(r)=\kappa(r^{\alpha}+\varepsilon)^{-1}$ in the subsection III-E. We assume that the power fading coefficients are spatially and temporally independent with exponential distribution of unit mean (i.e., Rayleigh fading), and let $h_{k,x}$ be the fading coefficient between transmitter $x$ and the considered receiver located at origin $o$ in time slot $k$. Without loss of generality, we assume that all transmitters transmit at a normalized power level of unity. This constant power assumption is consistent with the bipolar network model, in which all link distances are identical. The thermal noise is assumed to be white Gaussian with power spectral density $N_{r}$. To simplify the notations, we introduce the normalized noise power spectral density as $N_{0}=N_{r}/\kappa$. We assume that the SINR threshold model is applied. That is, for each time- frequency resource block, as long as the SINR is above a threshold $\theta$, it can be successfully used for information transmission at spectral efficiency $\log_{2}(1+\theta)$ bits per second per Hz. We also assume that a packet of a fixed size needs exactly one time slot to be transmitted if it is allocated the entire frequency band $W$ under SINR threshold $\theta$ and successfully transmitted in that time slot. In that way, in the FHMA case if the entire frequency band is split into $N$ sub-bands, a packet will need $N$ successful time slots. Meanwhile, in the ALOHA case, each active transmission will make use of the entire frequency band; thus, only one successful time slot is needed. Notice that the local delay is measured by the number of time slots. Since different system configurations may apply different durations of time slot, we should normalize the local delay so that the actual delays of different system configurations can be compared fairly. The duration of each time slot is proportional to $\frac{1}{\log_{2}(1+\theta)}$ because the size of a packet is fixed and the spectral efficiency is proportional to $\log_{2}(1+\theta)$. Therefore, when comparing the actual delays under different SINR thresholds $\theta$, we normalize the local delay by $\frac{1}{\log_{2}(1+\theta)}$ as the metric. In static or moderately mobile network, the locations of the transmitters during all time slots are deemed to be correlated, resulting in the temporal interference correlation. This type of correlation decreases the successful probability for retransmissions if the first transmission attempt failed, thus increasing the local delay. In order to reduce the effect of interference correlation, we study two kinds of MAC randomness described as follows. ### II-B FHMA In the FHMA case, we assume that the total frequency band $W$ is divided into $N$ sub-bands and each transmitter chooses a sub-band uniformly randomly, independently of the location and the time slot (i.e., memoryless both spatially and temporally). Let $s\in\mathbb{S}=\\{1,2,\cdots,N\\}$ be the sub- band index, and let $\mathcal{S}_{k}(x)\in\mathbb{S}$ denote the index of the sub-band used by node $x\in\Phi$ in time slot $k$. With these notations, the interference at the typical receiver located at the origin $o$ in time slot $k$ is given by $I_{k}=\sum_{x\in\Phi\backslash\\{x_{0}\\}}h_{k,x}\kappa|x|^{-\alpha}\mathbf{1}(\mathcal{S}_{k}(x)=\mathcal{S}_{k}(x_{0})),$ (1) where $\mathbf{1}(\cdot)$ is the indicator function and $|x|$ denotes the distance between $x$ and the origin $o$. Note that the exclusion of $x_{0}$ from the sum over the point process does not imply that $x_{0}\notin\Phi$, but it ensures that when we condition on $x_{0}\in\Phi$, the power received from this node is not counted as interference. Besides reducing the interference and breaking the correlation, introducing FHMA has the additional benefit that the noise power decreases from $W\kappa N_{0}$ to $\frac{W}{N}\kappa N_{0}$. By taking this noise scaling into consideration, we obtain the SINR of the typical receiver in time slot $k$ as $\displaystyle\mathrm{SINR}_{k}=\qquad\qquad\qquad\qquad\qquad\qquad\quad\qquad$ $\displaystyle\frac{h_{k,x_{0}}r_{0}^{-\alpha}}{\frac{WN_{0}}{N}+\sum_{x\in\Phi\backslash\\{x_{0}\\}}h_{k,x}|x|^{-\alpha}\mathbf{1}(\mathcal{S}_{k}(x)=\mathcal{S}_{k}(x_{0}))}.$ (2) ### II-C ALOHA In the ALOHA case, let $\Phi_{k}$ be the transmitting set in time slot $k$. The interference at the typical receiver located at the origin $o$ in time slot $k$ is $I_{k}=\sum_{x\in\Phi\backslash\\{x_{0}\\}}h_{k,x}\kappa|x|^{-\alpha}\mathbf{1}(x\in\Phi_{k}).$ (3) Unlike FHMA, the noise scaling effect does not exist for ALOHA since the entire frequency band is used for each transmission. The SINR of the typical receiver in time slot $k$ is $\mathrm{SINR}_{k}=\frac{h_{k,x_{0}}r_{0}^{-\alpha}}{WN_{0}+\sum_{x\in\Phi\backslash\\{x_{0}\\}}h_{k,x}|x|^{-\alpha}\mathbf{1}(x\in\Phi_{k})}.$ (4) ## III Mean and Variance of the Local Delay In this section, we derive the mean and variance of the local delay for FHMA and for ALOHA respectively. ### III-A FHMA #### III-A1 Mean local delay The following theorem gives the mean local delay in FHMA networks. ###### Theorem 1 In FHMA with $N$ sub-bands, the mean local delay is $\displaystyle D(N)$ $\displaystyle=$ $\displaystyle N\exp\left(\frac{A}{(N-1)^{1-\delta}N^{\delta}}+\frac{B}{N}\right),$ (5) where $A=\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)$, $B=\theta r_{0}^{\alpha}WN_{0}$, $\delta=d/\alpha$, $C(\delta)=1/{\mathrm{sinc}(\delta)}$, and $c_{d}=|b(o,1)|$ is the volume of the $d$-dimensional unit ball222Since the equation (5) has implied that $D(1)=\infty$, without loss of generality, we can regard the domain of $D(N)$ as $N\geqslant 1$ with $D(1)=\infty$.. ###### Proof: Let $\mathcal{C}_{\Phi}$ be the event that a transmission succeeds conditioned on the PPP $\Phi$. The probability for successful transmission given $\Phi$ is the same for each time slot. Our analysis below is conditioned on $\Phi$ having a point at $x_{0}$. This means that the probability measure of the point process is the Palm probability $\mathbb{P}^{x_{0}}$ (see Ch. 8 in [13]). Correspondingly, the expectation, denoted by $\mathbb{E}^{x_{0}}$, is taken with respect to the measure $\mathbb{P}^{x_{0}}$. With this notation, by setting the SINR threshold to be $\theta$, we denote the probability of successful transmission conditioned on $\Phi$ as $\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})=\mathbb{P}^{x_{0}}(\mathrm{SINR}_{k}>\theta\mid\Phi)$, which can be evaluated as $\displaystyle\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})=\mathbb{P}^{x_{0}}(\mathrm{SINR}_{k}>\theta\mid\Phi)$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\mathbb{P}^{x_{0}}\Big{(}h_{k,x_{0}}r_{0}^{-\alpha}>\theta\Big{(}\frac{W}{N}N_{0}+I_{k}\Big{)}\mid\Phi\Big{)}$ $\displaystyle\\!\\!\\!\stackrel{{\scriptstyle(a)}}{{=}}\\!\\!\\!$ $\displaystyle\mathbb{E}^{x_{0}}\Big{(}\exp\Big{(}-\theta r_{0}^{\alpha}\Big{(}\frac{W}{N}N_{0}+I_{k}\Big{)}\Big{)}\mid\Phi\Big{)}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\mathbb{E}^{x_{0}}\Big{(}\exp\Big{(}-\theta r_{0}^{\alpha}\frac{W}{N}N_{0}-$ $\displaystyle\sum_{x\in\Phi\backslash\\{x_{0}\\}}\theta r_{0}^{\alpha}h_{k,x}|x|^{-\alpha}\mathbf{1}(\mathcal{S}_{k}(x)=\mathcal{S}_{k}(x_{0}))\Big{)}\mid\Phi\Big{)}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\exp\Big{(}-\frac{\theta r_{0}^{\alpha}WN_{0}}{N}\Big{)}$ $\displaystyle\\!\\!\\!\\!\\!\\!\\!\prod_{x\in\Phi\backslash\\{x_{0}\\}}\\!\\!\\!\mathbb{E}^{x_{0}}\left(\exp\left(-\theta r_{0}^{\alpha}h_{k,x}|x|^{-\alpha}\mathbf{1}(\mathcal{S}_{k}(x)=\mathcal{S}_{k}(x_{0}))\right)\mid\Phi\right)$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\exp\Big{(}-\frac{\theta r_{0}^{\alpha}WN_{0}}{N}\Big{)}$ $\displaystyle\\!\\!\\!\\!\prod_{x\in\Phi\backslash\\{x_{0}\\}}\\!\\!\\!\\!\Big{(}\frac{1}{N}\mathbb{E}^{x_{0}}\left(\exp\left(-\theta r_{0}^{\alpha}h_{k,x}|x|^{-\alpha}\right)\mid\Phi\right)+\frac{N-1}{N}\Big{)}$ $\displaystyle\\!\\!\\!\stackrel{{\scriptstyle(b)}}{{=}}\\!\\!\\!$ $\displaystyle\exp\Big{(}-\frac{\theta r_{0}^{\alpha}WN_{0}}{N}\Big{)}\\!\\!\\!\\!\\!\prod_{x\in\Phi\backslash\\{x_{0}\\}}\\!\\!\\!\\!\\!\Big{(}\frac{1}{N}\frac{1}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+\frac{N-1}{N}\Big{)}.$ In steps $(a)$ and $(b)$ of the derivation above, we have applied the property that the fading coefficients $h_{k,x}$ are i.i.d. random variables with exponential distribution of unit mean. The number of time slots needed until a successful time slot appears, denoted by $\Delta$, is a random variable called _delay till success_ (DTS) [19]. Conditioned upon $\Phi$, the success events in different time slots are independent with probability $\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})$; therefore, the DTS with given $\Phi$, denoted by $\Delta_{\Phi}$, is a random variable with geometric distribution given by $\mathbb{P}^{x_{0}}\left(\Delta_{\Phi}=k\right)=\left(1-\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})\right)^{k-1}\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi}).$ (7) The conditional expectation of $\Delta_{\Phi}$ is taken w.r.t. the fading and the MAC, given by $\mathbb{E}^{x_{0}}\left(\Delta_{\Phi}\right)=1/\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})$. Noticing that a packet will need $N$ successful time slots to finish transmission in FHMA, the mean local delay can be evaluated as $\displaystyle D(N)$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\mathbb{E}^{x_{0}}\left(\Delta\right)$ (8) $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\mathbb{E}^{x_{0}}_{\Phi}\left(\mathbb{E}^{x_{0}}\left(\Delta_{\Phi}\right)\right)$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\mathbb{E}^{x_{0}}_{\Phi}\Big{(}\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}\Big{)}$ $\displaystyle\\!\\!\\!\stackrel{{\scriptstyle(a)}}{{=}}\\!\\!\\!$ $\displaystyle N\exp\Big{(}\frac{\theta r_{0}^{\alpha}WN_{0}}{N}\Big{)}$ $\displaystyle\mathbb{E}^{x_{0}}_{\Phi}\bigg{(}\frac{1}{\prod_{x\in\Phi\backslash\\{x_{0}\\}}\left(\frac{1}{N}\frac{1}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+\frac{N-1}{N}\right)}\bigg{)}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\exp\left(\frac{\theta r_{0}^{\alpha}WN_{0}}{N}\right)$ $\displaystyle\mathbb{E}^{x_{0}}_{\Phi}\bigg{(}\prod_{x\in\Phi\backslash\\{x_{0}\\}}\frac{1}{\frac{1}{N}\frac{1}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+\frac{N-1}{N}}\bigg{)}.$ where $(a)$ follows from (LABEL:equ:succ). By applying the probability generating functional (PGFL) of the PPP, we obtain $\displaystyle D(N)$ (9) $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\exp\left(\frac{\theta r_{0}^{\alpha}WN_{0}}{N}\right)$ $\displaystyle\exp\bigg{(}-\lambda\int_{\mathbb{R}^{d}}\bigg{(}1-\frac{1}{\frac{1}{N}\frac{1}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+\frac{N-1}{N}}\bigg{)}\mathrm{d}x\bigg{)}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\exp\bigg{(}\frac{\theta r_{0}^{\alpha}WN_{0}}{N}+\lambda c_{d}d\int_{0}^{\infty}\frac{r^{d-1}}{\frac{N}{\theta r_{0}^{\alpha}}r^{\alpha}+N-1}\mathrm{d}r\bigg{)}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\exp\bigg{(}\frac{\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)}{(N-1)^{1-\delta}N^{\delta}}+\frac{\theta r_{0}^{\alpha}WN_{0}}{N}\bigg{)}.$ where $\delta=d/\alpha$, $C(\delta)$ is given by $C(\delta)=\Gamma\left(1+\delta\right)\Gamma\left(1-\delta\right)=\frac{1}{\mathrm{sinc}(\delta)}$, and $c_{d}=|b(o,1)|$ is the volume of the $d$-dimensional unit ball. ∎ The result in Theorem 1 is closed-form and easy to evaluate and interpret. The value of $A$ is determined by the interference and that of $B$ is due to the thermal noise. From (5), we have $\displaystyle\\!\\!\\!\\!\\!\\!\\!\\!D(N)=N\exp\bigg{(}A\bigg{(}1-\frac{1}{N}\bigg{)}^{\delta-1}\frac{1}{N}+\frac{B}{N}\bigg{)}$ (10) $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\exp\bigg{(}A\bigg{(}1-\frac{\delta-1}{N}+O\bigg{(}\frac{1}{N^{2}}\bigg{)}\bigg{)}\frac{1}{N}+\frac{B}{N}\bigg{)}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\exp\bigg{(}\frac{A+B}{N}+O\bigg{(}\frac{1}{N^{2}}\bigg{)}\bigg{)}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle N+A+B+O\bigg{(}\frac{1}{N}\bigg{)}.$ The result shows that when $N$ is large, the mean local delay increases linearly with $N$. Since $D(1)$ is infinity, there exists an optimal number of sub-bands $N_{\mathrm{opt}}$ that minimizes the mean local delay. Inspecting $D(N)$, we see that there are two effects by splitting the entire frequency band into $N$ sub-bands: first, the mean local delay $D(N)$ tends to decrease due to the reduced interference correlation; second, $D(N)$ tends to increase since the number of time slots needed becomes $N$ times larger. In view of this, we introduce two regimes, _correlation-limited_ regime and _bandwidth- limited_ regime. For $N<N_{\mathrm{opt}}$, the first effect outweighs the second one, and the network operates in the correlation-limited regime. For $N>N_{\mathrm{opt}}$, it is the opposite and the network operates in the bandwidth-limited regime. In the above, we have derived results under the assumption that the frequency allocation is dynamic (i.e., the sub-bands are allocated randomly and independently in each time slot). Alternatively, one could consider the case where the frequency allocation is static over time. That case is exactly the same as the case where no frequency splitting is applied, with the only difference that the intensity of the interfering transmitters is scaled down to $\lambda/N$. The mean local delay in that case is also infinite. This fact explains that even though frequency splitting is introduced, if the sub-bands are not reallocated randomly temporally, the mean local delay will still be infinite. This is a nontrivial observation since it reveals that the reduction of the mean local delay by introducing FHMA does not come from reducing the interference or the thermal noise, but mainly comes from reducing the interference correlation. Based on Theorem 1, we show how the normalized mean local delay $\frac{D(N)}{\log_{2}(1+\theta)}$ varies with $N$ numerically. As for the parameters, we ignore the thermal noise ($N_{0}=0$) and set the intensity of transmitters as $\lambda=0.01\mathrm{m}^{-2}$ by default, which means that the coverage area of each transmitter is $100\mathrm{m}^{2}$ on average, reasonable for a typical deployment of WLAN. The path loss exponent is set as $\alpha=4$ by default, and the distance between the receiver and the typical desired transmitter is $r_{0}=5\mathrm{m}$. Let $\theta$ be the outage threshold for SINR. The relationship between $\frac{D(N)}{\log_{2}(1+\theta)}$ and $N$ is depicted in Fig. 2. By changing the values of $\alpha$ and $\lambda$ respectively, we get the curves in Fig. 2. Comparing the curves in Fig. 2(a) with those in Fig. 2(b) and Fig. 2(c), we observe that the optimal number of sub-bands increases when $\alpha$ decreases or when $\lambda$ increases. This observation is consistent with the intuition: Smaller $\alpha$ implies that the signal strength decays more slowly with distance, and larger $\lambda$ implies that more transmitters exist in the same region, so in both cases more interference is created. Therefore, the entire frequency band should be divided into more sub-bands, namely larger $N_{\mathrm{opt}}$, to reduce the interference and interference correlation. (a) $\lambda=0.01$ and $\alpha=4$. (b) $\lambda=0.01$ and $\alpha=3$. (c) $\lambda=0.04$ and $\alpha=4$. Figure 2: The normalized mean local delay $\frac{D(N)}{\log_{2}(1+\theta)}$ as a function of the number of sub-bands $N$, when $d=2$, $r=5$m, and thermal noise ignored. #### III-A2 Variance of the local delay The mean local delay discussed above has characterized the mean number of time slots needed until a packet is successfully transmitted. In order to better understand the distribution of the local delay, we also derive its variance. The following theorem gives the variance of the local delay for FHMA. ###### Theorem 2 In FHMA with $N$ sub-bands, the variance of the local delay is $V(N)=N\left(N+1\right)\exp\bigg{(}\frac{(2N-1-\delta)A}{N^{\delta}(N-1)^{2-\delta}}+\frac{2B}{N}\bigg{)}\\\ $ $\qquad\qquad-D(N)-D^{2}(N).$ (11) ###### Proof: In order to transmit a packet in FHMA, $N$ successful transmissions are needed. Letting $\Delta_{i}$ $(1\leq i\leq N)$ be the DTS of the $i$th transmission, we get the local delay of a packet as $\sum_{i=1}^{N}\Delta_{i}$. For $1\leq i,j\leq N$ and $i\neq j$, $\Delta_{i}$ and $\Delta_{j}$ are dependent because the interference of the $i$th transmission and that of the $j$th transmission are correlated. However, if we condition on $\Phi$, $\\{\Delta_{i}\\}$ are i.i.d. random variables with geometric distribution given by (7). With these notations, we obtain the variance of the local delay as $\displaystyle\\!\\!\\!\\!\\!\\!V(N)=\mathbb{E}^{x_{0}}\left(\left(\sum_{i=1}^{N}\Delta_{i}\right)^{2}\right)-\left(\mathbb{E}^{x_{0}}\left(\sum_{i=1}^{N}\Delta_{i}\right)\right)^{2}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\mathbb{E}^{x_{0}}\left(\sum_{i=1}^{N}\Delta_{i}^{2}+\sum_{\stackrel{{\scriptstyle i,j=1}}{{i\neq j}}}^{N}2\Delta_{i}\Delta_{j}\right)-\left(\sum_{i=1}^{N}\mathbb{E}^{x_{0}}\left(\Delta_{i}\right)\right)^{2}$ $\displaystyle\\!\\!\\!\stackrel{{\scriptstyle(a)}}{{=}}\\!\\!\\!$ $\displaystyle\sum_{i=1}^{N}\mathbb{E}^{x_{0}}\left(\Delta_{i}^{2}\right)+\sum_{\stackrel{{\scriptstyle i,j=1}}{{i\neq j}}}^{N}2\mathbb{E}^{x_{0}}\left(\Delta_{i}\Delta_{j}\right)-D^{2}(N),$ where $(a)$ follows from the definition of the mean local delay. By applying the total expectation formula, we have $\displaystyle\\!\\!\\!V(N)\\!\\!\\!$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\\!\\!\\!\sum_{i=1}^{N}\mathbb{E}^{x_{0}}_{\Phi}\left(\mathbb{E}^{x_{0}}\left(\Delta_{i}^{2}\mid\Phi\right)\right)$ (12) $\displaystyle+\sum_{\stackrel{{\scriptstyle i,j=1}}{{i\neq j}}}^{N}2\mathbb{E}^{x_{0}}_{\Phi}\left(\mathbb{E}^{x_{0}}\left(\Delta_{i}\Delta_{j}\mid\Phi\right)\right)-D^{2}(N)$ $\displaystyle\stackrel{{\scriptstyle(b)}}{{=}}$ $\displaystyle\\!\\!\\!N\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{2-\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}{(\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi}))^{2}}\right)$ $\displaystyle+N\left(N-1\right)\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{1}{(\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi}))^{2}}\right)-D^{2}(N)$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\\!\\!\\!N\left(N+1\right)\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{1}{(\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi}))^{2}}\right)$ $\displaystyle-N\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}\right)-D^{2}(N)$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\\!\\!\\!N\left(N+1\right)\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{1}{(\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi}))^{2}}\right)$ $\displaystyle-D(N)-D^{2}(N),$ where $(b)$ follows from the second moment of the geometrically distributed random variable. From (LABEL:equ:succ), we have $\displaystyle\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{1}{(\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi}))^{2}}\right)$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\exp\left(\frac{2\theta r_{0}^{\alpha}WN_{0}}{N}\right)$ $\displaystyle\quad\mathbb{E}^{x_{0}}_{\Phi}\Bigg{(}\frac{1}{\prod_{x\in\Phi\backslash\\{x_{0}\\}}\left(\frac{1}{N}\frac{1}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+\frac{N-1}{N}\right)^{2}}\Bigg{)}$ $\displaystyle\\!\\!\\!\stackrel{{\scriptstyle(c)}}{{=}}\\!\\!\\!$ $\displaystyle\exp\Bigg{(}\frac{2\theta r_{0}^{\alpha}WN_{0}}{N}$ $\displaystyle\quad-\lambda\int_{\mathbb{R}^{d}}\Bigg{(}1-\frac{1}{\left(\frac{1}{N}\frac{1}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+\frac{N-1}{N}\right)^{2}}\Bigg{)}\mathrm{d}x\Bigg{)}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\exp\Big{(}\frac{2\theta r_{0}^{\alpha}WN_{0}}{N}$ $\displaystyle\\!\\!\\!-\lambda c_{d}d\int_{0}^{\infty}\left(1-\frac{N^{2}(1+\theta r_{0}^{\alpha}r^{-\alpha})^{2}}{\left(N+(N-1)\theta r_{0}^{\alpha}r^{-\alpha}\right)^{2}}\right)r^{d-1}\mathrm{d}r\Big{)}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\exp\left(\frac{2\theta r_{0}^{\alpha}WN_{0}}{N}+\frac{\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)(2N-1-\delta)}{N^{\delta}(N-1)^{2-\delta}}\right),$ where $(c)$ follows by applying the PGFL of the PPP. Plugging (LABEL:equ:quadprob) into (12), we get the variance of the local delay as in Theorem 2. ∎ ### III-B ALOHA The fundamental difference between FHMA and ALOHA is that if a packet is to be transmitted during a time slot, in FHMA the packet will be surely transmitted by randomly choosing a sub-band, while in ALOHA the packet will only be transmitted with a given probability. Similar to the analysis of FHMA, we also assume that a packet needs exactly one time slot if it is allocated the entire frequency band $W$ under SINR threshold $\theta$ and successfully transmitted in that time slot. We assume that each node transmits with probability $p$ in each time slot and if it transmits, it will make use of the entire frequency band. In that way, only one successful time slot is needed to transmit a packet, and the local delay is the DTS of one transmission, denoted by $\Delta$. #### III-B1 Mean local delay The following theorem gives the mean local delay for ALOHA. ###### Theorem 3 In ALOHA with transmit probability $p$, the mean local delay is $\displaystyle\widetilde{D}(p)$ $\displaystyle=$ $\displaystyle\frac{1}{p}\exp\bigg{(}\frac{pA}{(1-p)^{1-\delta}}+B\bigg{)}.$ (14) ###### Proof: In each time slot, a packet will be transmitted with probability $p$ and the transmission will be successful with probability $\mathbb{P}^{x_{0}}(\mathrm{SINR}_{k}>\theta\mid\Phi)$ conditioned upon $\Phi$. Therefore, similar to the derivation of (LABEL:equ:succ), the probability for successfully transmitting a packet conditioned upon $\Phi$ in a time slot is $\displaystyle\\!\\!\\!\\!\\!\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})\stackrel{{\scriptstyle(a)}}{{=}}p\mathbb{P}^{x_{0}}(\mathrm{SINR}_{k}>\theta\mid\Phi)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle p\mathbb{P}^{x_{0}}\left(h_{k,x_{0}}r_{0}^{-\alpha}>\theta\left({W}N_{0}+I_{k}\right)\mid\Phi\right)$ $\displaystyle\\!\\!\\!\\!\stackrel{{\scriptstyle(b)}}{{=}}\\!\\!\\!\\!$ $\displaystyle p\mathbb{E}^{x_{0}}\left(\exp\left(-\theta r_{0}^{\alpha}\left({W}N_{0}+I_{k}\right)\right)\mid\Phi\right)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle p\mathbb{E}^{x_{0}}\Big{(}\exp\Big{(}-\theta r_{0}^{\alpha}{W}N_{0}$ $\displaystyle-\\!\\!\sum_{x\in\Phi\backslash\\{x_{0}\\}}\\!\\!\theta r_{0}^{\alpha}h_{k,x}|x|^{-\alpha}\mathbf{1}(x\in\Phi_{k})\Big{)}\mid\Phi\Big{)}$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle p\exp\left(-{\theta r_{0}^{\alpha}WN_{0}}\right)$ $\displaystyle\\!\\!\\!\\!\\!\\!\prod_{x\in\Phi\backslash\\{x_{0}\\}}\\!\\!\\!\\!\mathbb{E}^{x_{0}}\left(\exp\left(-\theta r_{0}^{\alpha}h_{k,x}|x|^{-\alpha}\mathbf{1}(x\in\Phi_{k})\right)\mid\Phi\right)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle p\exp\left(-{\theta r_{0}^{\alpha}WN_{0}}\right)$ $\displaystyle\\!\\!\\!\\!\\!\\!\prod_{x\in\Phi\backslash\\{x_{0}\\}}\\!\\!\\!\\!\Big{(}p\mathbb{E}^{x_{0}}\Big{(}\exp\big{(}-\theta r_{0}^{\alpha}h_{k,x}|x|^{-\alpha}\big{)}\mid\Phi\Big{)}+1-p\Big{)}$ $\displaystyle\\!\\!\\!\\!\stackrel{{\scriptstyle(c)}}{{=}}\\!\\!\\!\\!$ $\displaystyle p\exp\big{(}-\theta r_{0}^{\alpha}WN_{0}\big{)}\\!\\!\\!\\!\\!\\!\prod_{x\in\Phi\backslash\\{x_{0}\\}}\\!\\!\\!\\!\\!\\!\Big{(}\frac{p}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+1-p\Big{)}.$ where $(a)$ is because a transmission occurs with probability $p$, and $(b)$ and $(c)$ follows because the fading coefficients $h_{k,x}$ are i.i.d. random variables with exponential distribution of unit mean. Then, the mean local delay for ALOHA is given by $\displaystyle\widetilde{D}(p)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle\mathbb{E}^{x_{0}}_{\Phi}\Big{(}\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}\Big{)}$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle\frac{1}{p}\exp\Big{(}\theta r_{0}^{\alpha}WN_{0}$ $\displaystyle-\lambda\int_{\mathbb{R}^{d}}\Big{(}1-\frac{1}{\frac{p}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+1-p}\Big{)}\mathrm{d}x\Big{)}$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle\frac{1}{p}\exp\left(\frac{\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)p}{(1-p)^{1-\delta}}+\theta r_{0}^{\alpha}WN_{0}\right).$ Applying the definition of $A$ and $B$ in Theorem 1, we obtain the result in Theorem 3. ∎ #### III-B2 Variance of the local delay The variance of the local delay in ALOHA is given by the following theorem. ###### Theorem 4 In ALOHA with transmit probability $p$, the variance of the local delay is $\displaystyle\widetilde{V}(p)$ $\displaystyle=$ $\displaystyle\frac{2}{p^{2}}\exp\Big{(}\frac{(2-p-\delta p)pA}{(1-p)^{2-\delta}}+2B\Big{)}$ (17) $\displaystyle\qquad-\widetilde{D}(p)-\widetilde{D}^{2}(p).$ ###### Proof: In the ALOHA case, in order to transmit a packet, one successful transmission is needed. The variance of local delay for ALOHA is thus $\displaystyle\widetilde{V}(p)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle\mathbb{E}^{x_{0}}\left(\Delta^{2}\right)-\left(\mathbb{E}^{x_{0}}\left(\Delta\right)\right)^{2}$ $\displaystyle\\!\\!\\!\\!\stackrel{{\scriptstyle(a)}}{{=}}\\!\\!\\!\\!$ $\displaystyle\mathbb{E}^{x_{0}}_{\Phi}\left(\mathbb{E}^{x_{0}}\left(\Delta^{2}|\Phi\right)\right)-\widetilde{D}^{2}(p)$ $\displaystyle\\!\\!\\!\\!\stackrel{{\scriptstyle(b)}}{{=}}\\!\\!\\!\\!$ $\displaystyle\mathbb{E}^{x_{0}}_{\Phi}\bigg{(}\frac{2-\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}{(\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi}))^{2}}\bigg{)}-\widetilde{D}^{2}(p)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle 2\mathbb{E}^{x_{0}}_{\Phi}\bigg{(}\frac{1}{(\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi}))^{2}}\bigg{)}-\widetilde{D}(p)-\widetilde{D}^{2}(p),$ where $(a)$ follows from the total expectation formula, and $(b)$ follows from the second moment of the geometrically distributed random variable. From (LABEL:equ:succ_aloha), we have $\displaystyle\\!\\!\\!\\!\\!\\!\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{1}{(\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi}))^{2}}\right)$ $\displaystyle\\!\\!\\!\\!\\!\\!=\\!\\!\\!\\!\\!\\!\\!$ $\displaystyle p^{-2}\exp\big{(}{2\theta r_{0}^{\alpha}WN_{0}}\big{)}$ $\displaystyle\mathbb{E}^{x_{0}}_{\Phi}\bigg{(}\frac{1}{\prod_{x\in\Phi\backslash\\{x_{0}\\}}\big{(}p\frac{1}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+1-p\big{)}^{2}}\bigg{)}$ $\displaystyle\\!\\!\\!\\!\\!\\!\stackrel{{\scriptstyle(c)}}{{=}}\\!\\!\\!\\!\\!\\!\\!$ $\displaystyle p^{-2}\exp\bigg{(}{2\theta r_{0}^{\alpha}WN_{0}}$ $\displaystyle-\lambda\int_{\mathbb{R}^{d}}\bigg{(}1-\frac{1}{\big{(}p\frac{1}{1+\theta r_{0}^{\alpha}|x|^{-\alpha}}+1-p\big{)}^{2}}\bigg{)}\mathrm{d}x\bigg{)}$ $\displaystyle\\!\\!\\!\\!\\!\\!=\\!\\!\\!\\!\\!\\!\\!$ $\displaystyle\frac{1}{p^{2}}\exp\left(2\theta r_{0}^{\alpha}WN_{0}+\frac{\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)(2-p-\delta p)p}{(1-p)^{2-\delta}}\right),$ where $(c)$ follows from the probability generating functional (PGFL) of the PPP. Plugging (LABEL:equ:quadprob_aloha) into (LABEL:equ:vartmp_aloha) and applying the definition of $A$ and $B$ in Theorem 1, we get the variance of the local delay in Theorem 4. ∎ ### III-C Comparison Between FHMA and ALOHA #### III-C1 Mean local delay The mean local delay in FHMA is given by $D(N)$ in (5), and that in ALOHA is given by $\widetilde{D}(p)$ in (14). In ALOHA, if the transmit probability $p$ is set as $\frac{1}{N}$, by comparing $\widetilde{D}(\frac{1}{N})$ to the result of FHMA, $D(N)$ given in (5), we observe that the only difference lies in the thermal noise term. In FHMA, the entire frequency band is divided into a number of sub-bands, thus reducing the noise power. However, with ALOHA, the noise scaling effect does not exist since the entire frequency band is used for transmission. The mean local delays of the two schemes are the same if we ignore the thermal noise term and set $p=\frac{1}{N}$. #### III-C2 Variance of the local delay Comparing (11) and (17), we observe that even if the noise is ignored and the transmit probability is set as $p=\frac{1}{N}$ in ALOHA, there is still an significant difference between the variances of the two schemes when $N>1$: in FHMA, a factor $N\left(N+1\right)$ exists in the first term, while in ALOHA the factor is $2N^{2}$. When $N>1$, we have $V(N)<\widetilde{V}(\frac{1}{N})$ and this illustrates that the variance of the local delay for FHMA is less than that for ALOHA (see Fig. 3). We further observe from Fig. 3 that when $N\rightarrow\infty$, the variance for FHMA stabilizes at a typically small value, while for ALOHA, the variance increases quickly with $N$. To understand the limiting characteristics quantitatively, we evaluate how the variances of the local delay scale with $N$ in the following proposition. ###### Proposition 1 For FHMA with number of sub-bands $N>1$, the variance of the local delay is $\displaystyle V(N)=(2-\delta)A+B+O\bigg{(}\frac{1}{N}\bigg{)}=\Theta(1).$ (20) For ALOHA with transmit probability $p=\frac{1}{N}<1$, the variance of the local delay is $\displaystyle\widetilde{V}(\frac{1}{N})=\Theta(N^{2}).$ (21) ###### Proof: For FHMA with number of sub-bands $N>1$, from (5), we have $\displaystyle D(N)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!$ $\displaystyle N\exp\bigg{(}\frac{A+B}{N}+\frac{(1-\delta)A}{N^{2}}+O\bigg{(}\frac{1}{N^{3}}\bigg{)}\bigg{)}$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!$ $\displaystyle N+(A+B)$ $\displaystyle\\!\\!\\!\\!+\bigg{(}\frac{(A+B)^{2}}{2}+(1-\delta)A\bigg{)}\frac{1}{N}+O\bigg{(}\frac{1}{N^{2}}\bigg{)}.$ Then, $D^{2}(N)$ is given by $\displaystyle D^{2}(N)$ $\displaystyle=$ $\displaystyle N^{2}+2(A+B)N+2(A+B)^{2}$ (23) $\displaystyle+2(1-\delta)A+O\left(\frac{1}{N}\right).$ From (11), we have the variance of the local delay as $\displaystyle V(N)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!$ $\displaystyle N(N+1)\exp\bigg{(}\frac{2B}{N}+\frac{2A}{N}-\frac{3(\delta-1)A}{N^{2}}$ (24) $\displaystyle+O\bigg{(}\frac{1}{N^{3}}\bigg{)}\bigg{)}-D(N)-D^{2}(N)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!$ $\displaystyle N^{2}+(2A+2B+1)N+2(A+B)$ $\displaystyle+2(A+B)^{2}-3(\delta-1)A$ $\displaystyle-D(N)-D^{2}(N)+O\left(\frac{1}{N}\right).$ Plugging (LABEL:equ:var_lim1) and (23) into (24), we get the result in (20). The derivations of the limiting for ALOHA is similar, and we omit the details of that proof. ∎ Figure 3: Normalized variances of the local delay for FHMA, $\frac{V(N)}{(\log_{2}(1+\theta))^{2}}$, and for ALOHA, $\frac{\widetilde{V}(\frac{1}{N})}{(\log_{2}(1+\theta))^{2}}$, as a function of the number of sub-bands $N$, when $d=2$, $\lambda=0.01\mathrm{m}^{-2}$, $\alpha=4$, $r=5$m, and thermal noise ignored. ### III-D Finiteness of the Mean Local Delay To understand why the mean local delay goes to infinity when $N$ is set to one, let us consider the expression for the mean local delay $D=N\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}\right)$ in FHMA, where $\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}$ is a random variable with support set $(1,+\infty)$ because it is the reciprocal of the successful transmit probability conditioned upon the PPP $\Phi$. When $N=1$, the expectation $\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}\right)$ is infinity because the ccdf of $\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}$ has a heavy tail. To show the heavy tail behavior, let us derive a lower bound for the ccdf of the local delay when $N=1$. Ignoring the thermal noise term in (LABEL:equ:succ), for $N=1$ and any $t\in(1,+\infty)$, we have $\displaystyle\\!\\!\mathbb{P}^{x_{0}}\bigg{(}\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}>t\bigg{)}$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle\mathbb{P}^{x_{0}}\bigg{(}\\!\\!\\!\prod_{x\in\Phi\backslash\\{x_{0}\\}}\\!\\!\\!\\!\\!\big{(}1+\theta r_{0}^{\alpha}|x|^{-\alpha}\big{)}>t\bigg{)}$ (25) $\displaystyle\\!\\!\\!\\!>\\!\\!\\!\\!$ $\displaystyle\mathbb{P}^{x_{0}}\left(1+\theta r_{0}^{\alpha}|x_{\mathrm{min}}|^{-\alpha}>t\right)$ $\displaystyle\\!\\!\\!\\!>\\!\\!\\!\\!$ $\displaystyle\mathbb{P}^{x_{0}}\left(\theta r_{0}^{\alpha}|x_{\mathrm{min}}|^{-\alpha}>t\right)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle\mathbb{P}^{x_{0}}\left(|x_{\mathrm{min}}|<\theta^{\frac{1}{\alpha}}t^{-\frac{1}{\alpha}}r_{0}\right),$ where $x_{\mathrm{min}}=\mathrm{argmin}_{x\in\Phi\setminus\\{x_{0}\\}}|x|$ is the nearest interfering transmitter to the receiver. The distance between the receiver and its nearest interfering transmitter has cumulative distribution function (cdf) as $b(r)=1-\exp(-c_{d}\lambda r^{d})$. Substituting this cdf into (25) and letting $\delta=\frac{2}{\alpha}$, we get $\displaystyle\\!\\!\\!\\!\mathbb{P}^{x_{0}}\left(\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}>t\right)$ $\displaystyle\\!\\!\\!\\!>\\!\\!\\!\\!$ $\displaystyle 1-\exp\left(-c_{d}\lambda\theta^{\delta}t^{-\delta}r_{0}^{d}\right)\qquad$ (26) $\displaystyle\\!\\!\\!\\!\sim\\!\\!\\!\\!$ $\displaystyle\frac{c_{d}\lambda\theta^{\delta}r_{0}^{d}}{t^{\delta}},\quad t\rightarrow\infty.$ (27) The function $g(t)=1-\exp\left(-C_{0}t^{-\delta}\right)$, where $C_{0}=c_{d}\lambda\theta^{\delta}r_{0}^{d}$, gives a lower bound for the ccdf of the local delay when $N=1$ (see Fig. 4). By the identity of $\mathbb{E}(X)=\int_{0}^{\infty}\mathbb{P}(X>t)\mathrm{d}t$ for any non-negative random variable $X$ and the inequality $e^{-x}<1-x+\frac{x^{2}}{2}$ for $x>0$, we have $\displaystyle\\!\\!\\!\\!\\!\\!\\!\\!\mathbb{E}^{x_{0}}_{\Phi}\left(\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}\right)$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle\int_{0}^{\infty}\left(\mathbb{P}^{x_{0}}\left(\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}>t\right)\right)\mathrm{d}t$ (28) $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle 1+\int_{1}^{\infty}\left(\mathbb{P}^{x_{0}}\left(\frac{1}{\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})}>t\right)\right)\mathrm{d}t$ $\displaystyle\\!\\!\\!\\!>\\!\\!\\!\\!$ $\displaystyle 1+\int_{1}^{\infty}\left(1-\exp\left(-C_{0}t^{-\delta}\right)\right)\mathrm{d}t$ $\displaystyle\\!\\!\\!\\!>\\!\\!\\!\\!$ $\displaystyle 1+\int_{1}^{\infty}\left(C_{0}t^{-\delta}-\frac{1}{2}C_{0}^{2}t^{-2\delta}\right)\mathrm{d}t$ $\displaystyle\\!\\!\\!\\!=\\!\\!\\!\\!$ $\displaystyle\infty.$ Figure 4: Lower bound for the ccdf of the local delay, given by (26), when $N=1$ in the 2-dimensional case ($d=2$). The intensity of transmitters is $\lambda=0.01\mathrm{m}^{-2}$ and the path loss exponent is $\alpha=4$. When FHMA is applied with $N>1$, there is an additional term $\frac{N-1}{N}$ in the success probability given by (LABEL:equ:succ), which prevents $\mathbb{P}^{x_{0}}(\mathcal{C}_{\Phi})$ from getting too small when $|x|$ approaches zero. It can be interpreted intuitively that, although there are some interfering transmitters very close to the receiver, the application of FHMA guarantees that there is always a relatively large probability that those transmitters do not continuously cause interference to the receiver. ### III-E The effect of bounded path loss function In the discussion above, we have considered the unbounded path loss function $l(r)=\kappa r^{-\alpha}$. Though the unbounded path loss function is an idealized model, it gives an effective approximation to the actual path loss and results in concise results [22, 23]. In this subsection, we compare the results derived under the unbounded path loss function to that under the bounded path loss function $l(r)=\kappa(r^{\alpha}+\varepsilon)^{-1}$, where $\varepsilon>0$. The unbounded path loss function is the limiting case of the bounded path loss function as $\varepsilon\rightarrow 0$. Without loss of generality, we take FHMA as an example. By replacing $l(r)=\kappa r^{-\alpha}$ with $l(r)=\kappa(r^{\alpha}+\varepsilon)^{-1}$ in the derivations of Theorem 1 and Theorem 2, we obtain the mean and variance of the local delay under the assumption of bounded path loss function as follows. $\displaystyle D_{\varepsilon}(N)=N\exp\bigg{(}\frac{(r_{0}^{\alpha}+\varepsilon)\theta WN_{0}}{N}$ $\displaystyle+\frac{\lambda c_{d}(r_{0}^{\alpha}+\varepsilon)\theta C(\delta)}{(N\varepsilon+(N-1)\theta(r_{0}^{\alpha}+\varepsilon))^{1-\delta}N^{\delta}}\bigg{)},$ (29) $\displaystyle V_{\varepsilon}(N)=N\left(N+1\right)\exp\bigg{(}\frac{2\theta r_{0}^{\alpha}WN_{0}}{N}$ $\displaystyle+\frac{(2N\varepsilon+(2N-1-\delta)\theta(r_{0}^{\alpha}+\varepsilon))\lambda c_{d}(r_{0}^{\alpha}+\varepsilon)\theta C(\delta)}{N^{\delta}(N\varepsilon+(N-1)\theta(r_{0}^{\alpha}+\varepsilon))^{2-\delta}}\bigg{)}$ $\qquad\qquad-D_{\varepsilon}(N)-D_{\varepsilon}^{2}(N).$ (30) When $N=1$, both $D_{\varepsilon}(1)$ and $V_{\varepsilon}(1)$ are finite if $\varepsilon>0$. Setting $\varepsilon=0$ reproduces the results for the unbounded model, as expected. As can be seen, the difference between the results for the unbounded model and the bounded one decreases with increasing $r_{0}$ or decreasing $\theta$. In order to evaluate the difference, we set $\varepsilon$ as the typical value $\kappa$ (i.e., the path loss becomes $l(r)=\kappa(r^{\alpha}+\kappa)^{-1}$) such that the received power never exceeds the transmitted one without fading. The value of $\kappa$ is the path loss at $1$m TX-RX separation, which is rather small, typically like $-30$dB [24, Ch. 3]. Therefore, as $\varepsilon=\kappa\rightarrow 0$, the mean local delay for $N=1$ is approximated as $D_{\varepsilon}(1)\sim\exp\left(\theta r_{0}^{\alpha}WN_{0}+\frac{\lambda c_{d}r_{0}^{\alpha}\theta C(\delta)}{\varepsilon^{1-\delta}}\right),\quad\varepsilon\rightarrow 0.$ (31) It is observed that $D_{\varepsilon}(1)$ increases exponentially with respect to $1/\epsilon^{1-\delta}$ as $\varepsilon\rightarrow 0$. For the realistic bounded path loss model, in which $\varepsilon$ is rather small, the mean local delay when $N=1$ is finite though extremely large. Thus, we can conclude that for the realistic bounded path loss model, when $N>2$ the boundedness of the path loss has only negligible effect on the mean and the variance of the local delay; when $N=1$ the mean local delay is extremely large and thus can be considered as infinity for practical purposes. ## IV Optimal Parameters To Minimize Mean Local Delay In this section, we analyze the optimal number of sub-bands in FHMA and optimal transmit probability in ALOHA to minimize the mean local delay. Deriving the optimal parameters is difficult, and the results may not be compact; thus, we resort to deriving tight bounds for the optimal values. ### IV-A FHMA In the derivation, we relax $N$ to be continuous and subsequently take the actual optimal number to be a nearby integer. The following theorem gives the bounds of the optimal number of sub-bands. ###### Theorem 5 The bounds of the optimal number of sub-bands that minimizes the mean local delay are given by $\displaystyle\\!\\!\\!\\!N_{\mathrm{opt}}\in[\lfloor t_{0}\rfloor,\lceil t_{0}\rceil+2],\quad t_{0}=\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)+\theta r_{0}^{\alpha}WN_{0}.$ ###### Proof: Based on the result of (5), we get the derivative of the mean local delay $D^{\prime}(N)$ when $N>1$ as follows $D^{\prime}(N)=f(N)\exp\big{(}\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)(N-1)^{\delta-1}N^{-\delta}$ $\qquad+\theta r_{0}^{\alpha}WN_{0}N^{-1}\big{)},$ (33) where $f(N)=1-\frac{1}{N}\bigg{(}\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)\bigg{(}\frac{N}{N-1}\bigg{)}^{1-\delta}\frac{N-\delta}{N-1}$ $+\theta r_{0}^{\alpha}WN_{0}\bigg{)}.$ (34) We observe that $f(N)$ is strictly monotonically increasing in $N$; this means that there is only one optimal value $N_{\mathrm{opt}}$ that satisfies $D^{\prime}(N_{\mathrm{opt}})=0$, which is given by $f(N_{\mathrm{opt}})=0$. From $f(N_{\mathrm{opt}})=0$, we get $\displaystyle N_{\mathrm{opt}}$ $\displaystyle=$ $\displaystyle\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)\left(\frac{N_{\mathrm{opt}}}{N_{\mathrm{opt}}-1}\right)^{2-\delta}\frac{N_{\mathrm{opt}}-\delta}{N_{\mathrm{opt}}}$ (35) $\displaystyle+\theta r_{0}^{\alpha}WN_{0}.$ Since $N_{\mathrm{opt}}/(N_{\mathrm{opt}}-1)>1$ and $0<\delta<1$, we have $\displaystyle N_{\mathrm{opt}}$ $\displaystyle>$ $\displaystyle\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)\left(\frac{N_{\mathrm{opt}}}{N_{\mathrm{opt}}-1}\right)^{2-\delta}\frac{N_{\mathrm{opt}}-1}{N_{\mathrm{opt}}}$ (36) $\displaystyle+\theta r_{0}^{\alpha}WN_{0}$ $\displaystyle>$ $\displaystyle\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)+\theta r_{0}^{\alpha}WN_{0},$ This gives a lower bound for the optimal value $N_{\mathrm{opt}}$. Next we derive an upper bound for $N_{\mathrm{opt}}$. From (35), we have $\displaystyle N_{\mathrm{opt}}$ $\displaystyle<$ $\displaystyle\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)\left(\frac{N_{\mathrm{opt}}}{N_{\mathrm{opt}}-1}\right)^{2}+\theta r_{0}^{\alpha}WN_{0}$ $\displaystyle<$ $\displaystyle\left(\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)+\theta r_{0}^{\alpha}WN_{0}\right)\left(\frac{N_{\mathrm{opt}}}{N_{\mathrm{opt}}-1}\right)^{2}.$ Then, we have $\displaystyle\frac{(N_{\mathrm{opt}}-1)^{2}}{N_{\mathrm{opt}}}$ $\displaystyle<$ $\displaystyle\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)+\theta r_{0}^{\alpha}WN_{0}.$ $\displaystyle N_{\mathrm{opt}}-2+\frac{1}{N_{\mathrm{opt}}}$ $\displaystyle<$ $\displaystyle\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)+\theta r_{0}^{\alpha}WN_{0}.$ $\displaystyle N_{\mathrm{opt}}<$ $\displaystyle\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)+\theta r_{0}^{\alpha}WN_{0}+2.$ (37) Combining (36) and (37) and noting that $N$ is an integer, we get the bounds of $N_{\mathrm{opt}}$. ∎ The bounds given here are rather simple and tight. If frequency splitting is not applied (the case of $N=1$), the mean local delay will surely be infinite. To guarantee a finite mean local delay, the value of $N$ should be at least two. It is valuable to investigate for which range of parameters the optimal value $N_{\mathrm{opt}}$ will be two. The following corollary gives such a condition. ###### Corollary 1 If the intensity of transmitters $\lambda$ satisfies the following inequality, $\displaystyle\lambda$ $\displaystyle<$ $\displaystyle\frac{\ln\frac{3}{2}-\frac{1}{6}\theta r_{0}^{\alpha}WN_{0}}{c_{d}r_{0}^{d}\theta^{\delta}C(\delta)(2^{-\delta}-2^{\delta-1}3^{-\delta})},$ (38) the optimal number of sub-bands $N_{\mathrm{opt}}$ that minimizes the mean local delay will be two. ###### Proof: Since we have proved that mean local delay $D(N)$ is a function that first decreases and then increases with $N$, the condition for $N_{\mathrm{opt}}=2$ is $D(2)<D(3)$. By substituting the expression of mean local delay (5) into $D(2)<D(3)$, we get the condition in the corollary. Notice that the right side of the inequality in (38) may be negative, in which case the condition for $\lambda$ cannot be satisfied and then the optimal number of sub-bands will never be two. ∎ In Fig. 5, we plot the optimal number of sub-bands $N_{\mathrm{opt}}$ and its bounds given in (LABEL:equ:thmbounds) as a function of the path loss exponent for different $\theta$. The optimal number $N_{\mathrm{opt}}$ is obtained by numerical calculation of the solution of the equation (35). We observe from Fig. 5 that the bounds are quite tight and give excellent approximation of the value $N_{\mathrm{opt}}$. This figure also shows that the optimal value $N_{\mathrm{opt}}$ decreases with increasing path loss exponent, which verifies our aforementioned discussion regarding Fig. 2. The curves show that when the path loss exponent is fixed, the optimal number $N_{\mathrm{opt}}$ is an increasing function of the SINR threshold $\theta$, which can be also perceived from the expression (LABEL:equ:thmbounds). This is reasonable since with larger SINR threshold, the condition for successful transmission becomes harsher, and more sub-bands are needed to meet the stronger requirements. In Fig. 6, we plot the minimum value of the normalized mean local delay when the optimum number of sub-bands $N_{\mathrm{opt}}$ is used. We observe from Fig. 6 that there are intersection points between different curves, implying that the choice of SINR threshold $\theta$ has direct impact on the mean local delay. In Section V, we will try to obtain the optimal SINR threshold. Figure 5: Optimal number of sub-bands $N_{\mathrm{opt}}$ and its bounds $(t_{0},t_{0}+2)$ as a function of the path loss exponent for varying $\alpha$. Figure 6: Minimum of the normalized mean local delay $\frac{D(N_{\mathrm{opt}})}{\log_{2}(1+\theta)}$ as a function of the path loss exponent $\alpha$. ### IV-B ALOHA Since the expressions of the mean local delays for ALOHA and for FHMA are the same when $p=1/N$ and thermal noise ignored, we give the optimal transmit probability in the following theorem directly and omit the proof. ###### Theorem 6 The bounds of the optimal transmit probability which minimizes the mean local delay is $\displaystyle p_{\mathrm{opt}}\in\left(\frac{1}{\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)+2},\frac{1}{\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)}\right).$ (39) ## V Optimal SINR Threshold $\theta$ In the discussion above, we have already derived tight bounds for the optimal number of sub-bands $N_{\mathrm{opt}}$ and the optimal transmit probability $p_{\mathrm{opt}}$ to minimize the mean local delay when the SINR threshold $\theta$ is fixed. The following analysis will focus on deriving the optimal threshold $\theta_{\mathrm{opt}}$ or its bounds when the number of sub-bands $N$ or the transmit probability $p$ is fixed. However, as mentioned in Section II, the duration of each time slot is proportional to $\frac{1}{\log_{2}(1+\theta)}$. In order to characterize the actual delay, we slightly modify the optimization objective as the normalized mean local delay, i.e., $\frac{D(N)}{\log_{2}(1+\theta)}$ for FHMA and $\frac{\widetilde{D}(p)}{\log_{2}(1+\theta)}$ for ALOHA. In the following analysis, we consider two asymptotic regimes: the interference-limited regime and the noise-limited regime. The interference-limited regime is typically encountered in cellular radio systems like CDMA networks, where the interference dominates over the thermal noise. The noise-limited regime is appropriate if the distance between concurrent transmitters is much larger than the distance of the typical link, in which case the interference in the network is negligible. ### V-A FHMA The following theorem gives the optimal threshold $\theta_{\mathrm{opt}}$ and its bounds for FHMA in the interference-limited regime and noise-limited regime respectively. ###### Theorem 7 In the noise-limited regime, the optimal threshold $\theta_{\mathrm{opt}}$ that minimizes the normalized mean local delay $\frac{D(N)}{\log_{2}(1+\theta)}$ for FHMA is given by $\displaystyle\theta_{\mathrm{opt}}$ $\displaystyle=$ $\displaystyle\exp\left(\mathcal{W}\left(\frac{N}{r_{0}^{\alpha}WN_{0}}\right)\right)-1,$ (40) where $\mathcal{W}(z)$ is the Lambert $\mathcal{W}$ function which solves $\mathcal{W}(z)e^{\mathcal{W}(z)}=z$. In the interference-limited regime, the bounds of $\theta_{\mathrm{opt}}$ are given by $\displaystyle\theta_{\mathrm{opt}}\in\left(b_{0}^{-1/(\delta+1)}-1,b_{0}^{-1/\delta}\right),$ $\displaystyle b_{0}=\lambda c_{d}r_{0}^{d}\delta C(\delta)(N-1)^{\delta-1}N^{-\delta}.$ (41) ###### Proof: The derivative of the normalized mean local delay with respective to $\theta$ is $\displaystyle\frac{\partial\left(\frac{D(N)}{\log_{2}(1+\theta)}\right)}{\partial\theta}$ $\displaystyle\\!\\!\\!=\\!\\!\\!$ $\displaystyle\frac{h(\theta)\theta^{\delta-1}N}{\log_{2}(1+\theta)}\exp\big{(}\theta r_{0}^{\alpha}WN_{0}N^{-1}$ (42) $\displaystyle\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!+\lambda c_{d}r_{0}^{d}\theta^{\delta}C(\delta)(N-1)^{\delta-1}N^{-\delta}\big{)},$ where $h(\theta)$ is as follows $\displaystyle h(\theta)=\lambda c_{d}r_{0}^{d}\delta C(\delta)(N-1)^{\delta-1}N^{-\delta}$ $\displaystyle+r_{0}^{\alpha}WN_{0}N^{-1}\theta^{1-\delta}-\frac{1}{\theta^{\delta-1}(1+\theta)\ln(1+\theta)}.$ (43) Next, we prove that $h(\theta)$ is a strictly increasing function of $\theta$, then we show that the equation $h(\theta)=0$ has a unique solution. Let $l(\theta)=\theta^{\delta-1}(1+\theta)\ln(1+\theta)$ and the derivative of $l(\theta)$ is as follows $\displaystyle l^{\prime}(\theta)$ $\displaystyle=$ $\displaystyle((\delta-1)\theta^{\delta-2}+\delta\theta^{\delta-1})\ln(1+\theta)+\theta^{\delta-1}$ $\displaystyle>$ $\displaystyle((\delta-1)\theta^{\delta-2}+\delta\theta^{\delta-1})\theta+\theta^{\delta-1}$ $\displaystyle>$ $\displaystyle 0.$ Thus, $l(\theta)$ is a strictly increasing function of $\theta$. This implies that $h(\theta)$ is also a strictly increasing function of $\theta$. Since $\lim_{\theta\rightarrow 0^{+}}h(\theta)=-\infty$ and $\lim_{\theta\rightarrow\infty}h(\theta)=+\infty$, the equation $h(\theta)=0$ has a unique solution $\theta_{\mathrm{opt}}$ that minimizes the mean local delay. In the noise-limited regime, the equation $h(\theta)=0$ has the form $\displaystyle r_{0}^{\alpha}WN_{0}N^{-1}\theta^{1-\delta}-\frac{1}{\theta^{\delta-1}(1+\theta)\ln(1+\theta)}=0.\quad$ (44) Solving this equation we obtain (40). In the interference-limited regime, the noise is ignored, and $h(\theta)=0$ has the form $\displaystyle\lambda c_{d}r_{0}^{d}\delta C(\delta)(N-1)^{\delta-1}N^{-\delta}$ $\displaystyle-\frac{1}{\theta^{\delta-1}(1+\theta)\ln(1+\theta)}=0.$ (45) A closed-form solution for the above equation does not exist. By applying the inequalities $\frac{\theta}{1+\theta}<\ln(1+\theta)<\theta$ to (45), we get the following inequalities $\displaystyle\frac{1}{(1+\theta)^{\delta+1}}<\frac{1}{\theta^{\delta}(1+\theta)}$ $\displaystyle<\lambda c_{d}r_{0}^{d}\delta C(\delta)(N-1)^{\delta-1}N^{-\delta}<\frac{1}{\theta^{\delta}}.$ (46) From the above inequalities, we get the bounds in (41) ∎ ### V-B ALOHA Based on the similarity between the expressions of the normalized mean local delays for ALOHA and for FHMA, we obtain the optimal threshold for ALOHA directly. ###### Theorem 8 In noise-limited regime, the optimal threshold $\theta_{\mathrm{opt}}$ that minimizes the normalized mean local delay for ALOHA is as follows $\displaystyle\theta_{\mathrm{opt}}$ $\displaystyle=$ $\displaystyle\mathcal{W}\left(\exp\left(\frac{1}{r_{0}^{\alpha}WN_{0}}\right)\right)-1.$ (47) In interference-limited regime, the bounds of $\theta_{\mathrm{opt}}$ are given by $\displaystyle\theta_{\mathrm{opt}}\in\left(b_{0}^{-1/(\delta+1)}-1,b_{0}^{-1/\delta}\right),$ $\displaystyle b_{0}=\lambda c_{d}r_{0}^{d}\delta C(\delta)p(1-p)^{\delta-1}.$ (48) ## VI Design Insights ### VI-A Mean Delay-Jitter Tradeoff The jitter of delay, typically characterized by the packet delay variation, is defined in [25] and [26]. In the system design, the delay variation is an important measure that characterizes the fluctuation of delay [27]. For interactive real-time applications, e.g., VoIP, large delay variance can be a serious issue. To the best of our knowledge, the variance of local delay has not been explored in the existing work. The optimal value of $N$ that minimizes the mean local delay is often not the one that minimizes the variance; thus there is a tradeoff between the mean and the variance of the local delay. Fig. 7(a) and Fig. 7(b) visualize the relationship between the mean and the variance of the normalized local delay for FHMA and for ALOHA respectively. From Fig. 7(a) we observe that in FHMA the favorable operating point has a reasonably wide tuning range because the variance stabilizes fast as $N$ increases. In contrast, we observe from Fig. 7(b) that in ALOHA the curves turn sharply. (a) FHMA (b) ALOHA Figure 7: Mean delay-jitter tradeoff. ### VI-B Tail Probability of the Local Delay The tail probability is an important measure of the system performance since one may require (as a QoS constraint) that the probability that the local delay exceeds a certain threshold is less than a predefined value. Based on the mean and variance we have derived and by applying the one-tailed Chebyshev’s inequality, we obtain an upper bound for the tail probability. For example, in FHMA with $N>1$, letting $X=\sum_{i=1}^{N}\Delta_{i}$ be the local delay, the tail probability is upper bounded as follows $\\!\\!\\!\\!\mathbb{P}\\{X>T_{0}\\}\leq\frac{V(N)}{V(N)+(T_{0}-D(N))^{2}},\quad\mathrm{for}\quad T_{0}>D(N).\\\ $ (49) For example, if we let the design requirement be that the probability that the local delay exceeds $10$ is less than $5\%$. Then, when the threshold of the local delay is fixed as $T_{0}=10$, the upper bound of the tail probability given by (49) with varying $N$ is shown in Fig. 8. We observe that in order to achieve the probability $5\%$, the number of sub-bands $N$ for the case when $\theta=1,10,100$ should be chosen larger than $15,50,95$ respectively. The bounds based on Chebyshev’s inequality will typically not provide the tightest bounds. However, it generally cannot be improved if only the mean and variance are available. On the other hand, if further statistical information is provided, a number of methods may be developed to improve the sharpness of the bounds, for example, through the use of semivariances if some samples are available, or through the use of Bhattacharyya’s inequality or large- deviations based inequalities if higher moments or even the moment generating functions are available. Figure 8: Upper bounds of the tail probability of local delay given by (49) as a function of the number of sub-bands $N$ when fixing $T_{0}=10$ in FHMA. ## VII Conclusions In this work, we studied the problem of reducing the effect of interference correlation by introducing MAC dynamics. We derived the mean and variance of the local delay and evaluated how the interference correlation can be reduced by FHMA and ALOHA. We also evaluated the optimal number of sub-bands in FHMA and the optimal transmit probability in ALOHA that minimize the mean local delay. The results reveal that there exist two operation regimes for the network, the correlation-limited regime and bandwidth-limited regime, which are separated by the optimal number of sub-bands in FHMA and the optimal transmit probability in ALOHA. If no MAC dynamics is employed, the local delay has a heavy tail distribution which results in infinite mean local delay; meanwhile, employing FHMA and ALOHA will greatly decrease the mean local delay. By comparing the results of FHMA and ALOHA, we observed that while the mean local delays of the two protocols are the same for certain parameters, the variances are rather different. According to the results established herein, FHMA outperforms ALOHA if implementation costs like overhead are not taken into consideration; however, when considering the implementation costs, the overhead for FHMA may be much higher than ALOHA because in FHMA each transmitter should inform the corresponding receiver which sub-band to listen on. ## Acknowledgement The authors wish to thank the anonymous reviewers for their constructive comments. ## References * [1] C. Chuah, D. Tse, J. Kahn, and R. Valenzuela, “Capacity scaling in MIMO wireless systems under correlated fading,” _IEEE Transactions on Information Theory_ , vol. 48, no. 3, pp. 637–650, 2002. * [2] M. Haenggi, “Diversity Loss due to Interference Correlation,” _IEEE Communications Letters_ , vol. 16, no. 10, pp. 1600–1603, Oct. 2012. * [3] M. Haenggi and R. Smarandache, “Diversity Polynomials for the Analysis of Temporal Correlations in Wireless Networks,” _IEEE Transactions on Wireless Communications_ , 2013, accepted. Available at http://www.nd.edu/~mhaenggi/pubs/twc14.pdf. * [4] U. Schilcher, C. Bettstetter, and G. Brandner, “Temporal Correlation of Interference in Wireless Networks with Rayleigh Block Fading,” _IEEE Transactions on Mobile Computing_ , vol. 11, no. 12, pp. 2109–2120, 2012. * [5] R. Ganti and M. Haenggi, “Spatial and temporal correlation of the interference in ALOHA ad hoc networks,” _IEEE Communications Letters_ , vol. 13, no. 9, pp. 631–633, 2009. * [6] M. Haenggi, “The Local Delay in Poisson Networks,” _IEEE Transactions on Information Theory_ , vol. 59, no. 3, pp. 1788–1802, Mar. 2013\. * [7] F. Baccelli and B. Błaszczyszyn, “A new phase transitions for local delays in MANETs,” in _Proceedings IEEE INFOCOM_ , 2010, pp. 1–9. * [8] J. G. Andrews, S. Weber, and M. Haenggi, “Ad Hoc Networks: To Spread or not to Spread?” _IEEE Communications Magazine_ , vol. 45, no. 12, pp. 84–91, Dec. 2007. * [9] S. P. Weber, X. Yang, J. G. Andrews, and G. De Veciana, “Transmission capacity of wireless ad hoc networks with outage constraints,” _IEEE Transactions on Information Theory_ , vol. 51, no. 12, pp. 4091–4102, 2005. * [10] D. Stoyan, W. Kendall, J. Mecke, and L. Ruschendorf, _Stochastic geometry and its applications, 2nd Edition_. Wiley New York, 1987. * [11] M. Haenggi, J. Andrews, F. Baccelli, O. Dousse, and M. Franceschetti, “Stochastic geometry and random graphs for the analysis and design of wireless networks,” _IEEE Journal on Selected Areas in Communications_ , vol. 27, no. 7, pp. 1029–1046, 2009. * [12] M. Haenggi and R. Ganti, _Interference in large wireless networks_. Now Publishers Inc, 2009, vol. 3, no. 2. * [13] M. Haenggi, _Stochastic Geometry for Wireless Networks_. Cambridge University Press, 2012. * [14] F. Baccelli and B. Błaszczyszyn, _Stochastic Geometry and Wireless Networks, Volume II: Applications. Foundations and Trends in Networking. Now Publishers_ , 2009. * [15] M. Haenggi, “Local Delay in Poisson Networks with and without Interference,” in _Allerton Conference on Communication, Control and Computing_ , Sep. 2010. * [16] ——, “Local Delay in Static and Highly Mobile Poisson Networks with ALOHA,” in _Proc. IEEE International Conference on Communications (ICC’10)_ , Cape Town, South Africa, May 2010. * [17] Z. Gong and M. Haenggi, “The Local Delay in Mobile Poisson Networks,” _IEEE Transactions on Wireless Communications_ , vol. 12, no. 9, pp. 4766–4777, Sep. 2013. * [18] K. Gulati, R. Ganti, J. Andrews, B. Evans, and S. Srikanteswara, “Characterizing Decentralized Wireless Networks with Temporal Correlation in the Low Outage Regime,” _IEEE Transactions on Wireless Communications_ , vol. 11, no. 9, pp. 3112–3125, Sep. 2012. * [19] X. Zhang and M. Haenggi, “Delay-optimal Power Control Policies,” _IEEE Transactions on Wireless Communications_ , vol. 11, no. 10, pp. 3518–3527, Oct. 2012. * [20] G. Alfano, R. Tresch, and M. Guillaud, “Spatial diversity impact on the local delay of homogeneous and clustered wireless networks,” in _Proc. International ITG Workshop on Smart Antennas (WSA)_. IEEE, 2011, pp. 1–6. * [21] N. Jindal, J. Andrews, and S. Weber, “Bandwidth partitioning in decentralized wireless networks,” _IEEE Transactions on Wireless Communications_ , vol. 7, no. 12, pp. 5408–5419, 2008. * [22] H. Inaltekin, S. B. Wicker, M. Chiang, and H. V. Poor, “On unbounded path-loss models: effects of singularity on wireless network performance,” _IEEE Journal on Selected Areas in Communications_ , vol. 27, no. 7, pp. 1078–1092, 2009\. * [23] K. Gulati, B. Evans, and S. Srikanteswara, “Joint temporal statistics of interference in decentralized wireless networks,” _IEEE Transactions on Signal Processing_ , vol. 60, no. 12, pp. 6713–6718, 2012. * [24] T. Rappaport, _Wireless communications: principles and practice, second edition_. Prentice Hall PTR New Jersey, 1996. * [25] C. Demichelis and P. Chimento, “IP packet delay variation metric for IP performance metrics (IPPM),” _RFC 3393_ , Nov. 2002. * [26] ITU-T Recommendation Y.1540 (formerly numbered I.380), “Internet Protocol Data Communication Service - IP Packet Transfer and Availability Performance Parameters,” Feb. 1999. * [27] D. Verma, H. Zhang, and D. Ferrari, “Delay jitter control for real-time communication in a packet switching network,” in _IEEE Conference on Communications Software, 1991, ’Communications for Distributed Applications and Systems’, Proceedings of TRICOMM ’91._ , 1991, pp. 35–43. | Yi Zhong Yi Zhong received his B.S. degree in Electronic Engineering from University of Science and Technology of China (USTC) in 2010. He is now a Ph.D. student in Electronic Engineering at USTC, Hefei, China. From August to December 2012, he was a visiting student in Prof. Martin Haenggi’s group at University of Notre Dame. From July to October 2013, he worked as an intern in Qualcomm, Corporate Research and Development, Beijing. His research interests include heterogeneous and femtocell-overlaid cellular networks, wireless ad hoc networks, stochastic geometry and point process theory. ---|--- | Wenyi Zhang Wenyi Zhang (S’00, M’07, SM 11) received the B.E. degree in automation from Tsinghua University, Beijing, China, in 2001, and the M.S. and Ph.D. degrees in electrical engineering both from the University of Notre Dame, Notre Dame, IN, in 2003 and 2006, respectively. He was affiliated with University of Southern California as a Postdoctoral Research Associate, and with the Qualcomm Corporate Research and Development, Qualcomm Incorporated. He is currently on the faculty of Department of Electronic Engineering and Information Science, University of Science and Technology of China. His research interests include wireless communications and networking, information theory, and statistical signal processing. ---|--- | Martin Haenggi Martin Haenggi (S-95, M-99, SM-04) is a Professor of Electrical Engineering and a Concurrent Professor of Applied and Computational Mathematics and Statistics at the University of Notre Dame, Indiana, USA. He received the Dipl.-Ing. (M.Sc.) and Dr.sc.techn. (Ph.D.) degrees in electrical engineering from the Swiss Federal Institute of Technology in Zurich (ETH) in 1995 and 1999, respectively. After a postdoctoral year at the University of California in Berkeley, he joined the University of Notre Dame in 2001. In 2007-2008, he spent a Sabbatical Year at the University of California at San Diego (UCSD). For both his M.Sc. and Ph.D. theses, he was awarded the ETH medal, and he received a CAREER award from the U.S. National Science Foundation in 2005 and the 2010 IEEE Communications Society Best Tutorial Paper award. He served an Associate Editor of the Elsevier Journal of Ad Hoc Networks from 2005-2008, of the IEEE Transactions on Mobile Computing (TMC) from 2008-2011, and of the ACM Transactions on Sensor Networks from 2009-2011, as a Guest Editor for the IEEE Journal on Selected Areas in Communications in 2008-2009 and the IEEE Transactions on Vehicular Technology in 2012-2013, and as a Steering Committee Member for the TMC. Presently he is the chair of the Executive Editorial Committee of the IEEE Transactions on Wireless Communications. He also served as a Distinguished Lecturer for the IEEE Circuits and Systems Society in 2005-2006, as a TPC Co-chair of the Communication Theory Symposium of the 2012 IEEE International Conference on Communications (ICC’12), and as a General Co-chair of the 2009 International Workshop on Spatial Stochastic Models for Wireless Networks (SpaSWiN’09) and the 2012 DIMACS Workshop on Connectivity and Resilience of Large-Scale Networks, and as the Keynote Speaker of SpaSWiN’13. He is a co-author of the monograph ”Interference in Large Wireless Networks” (NOW Publishers, 2009) and the author of the textbook ”Stochastic Geometry for Wireless Networks” (Cambridge University Press, 2012). His scientific interests include networking and wireless communications, with an emphasis on ad hoc, cognitive, cellular, sensor, and mesh networks. ---|---
arxiv-papers
2013-04-06T03:56:14
2024-09-04T02:49:43.948479
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Yi Zhong, Wenyi Zhang, Martin Haenggi", "submitter": "Yi Zhong", "url": "https://arxiv.org/abs/1304.1851" }
1304.1867
# Geometrical scaling in high energy collisions and its breaking ††thanks: Presented at the Conference Excited QCD, Bjelasnica, Sarajevo, Feb. 3 – 9, 2013. Michal Praszalowicz M. Smoluchowski Institute of Physics, Jagellonian University, Reymonta 4, 30-059 Krakow, Poland ###### Abstract We analyze geometrical scaling (GS) in Deep Inelstic Scattering at HERA and in pp collisions at the LHC energies and in NA61/SHINE experiment. We argue that GS is working up to relatively large Bjorken $x\sim 0.1$. This allows to study GS in negative pion multiplicity $p_{\rm T}$ distributions at NA61/SHINE energies where clear sign of scaling violations is seen with growing rapidity when one of the colliding partons has Bjorekn $x\geq 0.1$. 13.85.Ni,12.38.Lg ## 1 Introduction In this short note, following Refs. [1]–[5] where also an extensive list of references can be found, we will focus on the scaling law, called geometrical scaling (GS), which has been introduced in the context of DIS [6]. Recently it has been shown that GS is also exhibited by the $p_{\text{T}}$ spectra at the LHC [1]–[3]. An onset of GS in heavy ion collisions at RHIC energies has been reported in Ref. [3]. At low Bjorken $x<x_{\mathrm{max}}$ proton is characterized by an intermediate energy scale $Q_{\text{s}}(x)$ – called saturation scale [7, 8] – defined as the border line between dense and dilute gluonic systems within a proton (for review see _e.g._ Refs. [9, 10]). For the present study, however, the details of saturation are not of primary interest, it is the very existence of $Q_{\text{s}}(x)$ which is of importance. Here we present analysis of three different pieces of data which exhibit both emergence and violation of geometrical scaling. In Sect. 2 we briefly describe the method used to assess the existence of GS. Secondly, in Sect. 3 we describe our recent analysis [4] of combined HERA data [11] where it has been shown that GS in DIS works very well up to relatively large $x_{\text{max}}\sim 0.1$ (see also [12]). Next, in Sect. 4, on the example of the CMS $p_{\rm T}$ spectra in central rapidity [13], we show that GS can be extended to hadronic collisions. For particles produced at non-zero rapidities, one (larger) Bjorken $x=x_{1}$ may leave the domain of GS, _i.e._ $x_{1}>x_{\text{max}}$, and violation of GS should appear. In Sect. 5 we present analysis of very recent pp data from NA61/SHINE experiment at CERN [14] and show that GS is indeed violated once rapidity is increased. We conclude in Sect. 6. ## 2 Method of ratios Geometrical scaling hypothesis means that some observable $\sigma$ that in principle depends on two independent kinematical variables, say $x$ and $Q^{2}$, in fact depends only on a specific combination of them denoted as $\tau$: $\sigma(x,Q^{2})=F(\tau)/{Q_{0}^{2}}.$ (1) Here function $F$ in Eq. (1) is a dimensionless function of scaling variable $\tau=Q^{2}/Q_{\text{s}}^{2}(x).$ (2) and $Q_{\text{s}}^{2}(x)=Q_{0}^{2}\left({x}/{x_{0}}\right)^{-\lambda}$ (3) is the saturation scale. Here $Q_{0}$ and $x_{0}$ are free parameters which can be extracted from the data within some specific model for $\sigma$, and exponent $\lambda$ is a dynamical quantity of the order of $\lambda\sim 0.3$. Throughout this paper we shall test the hypothesis whether different pieces of data can be described by formula (1) with constant $\lambda$, and what is the kinematical range where GS is working satisfactorily. In view of Eq. (1) observables $\sigma(x_{i},Q^{2})$ for different $x_{i}$’s should fall on one universal curve, if evaluated not in terms of $Q^{2}$ but in terms of $\tau$. This means in turn that ratios $R_{x_{i},x_{\text{ref}}}(\lambda;\tau_{k})=\frac{\sigma(x_{i},\tau(x_{i},Q_{k}^{2};\lambda))}{\sigma(x_{\text{ref}},\tau(x_{\text{ref}},Q_{k,\text{ref}}^{2};\lambda))}$ (4) should be equal to unity independently of $\tau$. Here for some $x_{\rm ref}$ we pick up all $x_{i}<x_{\rm ref}$ which have at least two overlapping points in $Q^{2}$. For $\lambda\neq 0$ points of the same $Q^{2}$ but different $x$’s correspond in general to different $\tau$’s. Therefore one has to interpolate $\sigma(x_{\text{ref}},\tau(x_{\text{ref}},Q^{2};\lambda))$ to $Q_{k,\text{ref}}^{2}$ such that $\tau(x_{\text{ref}},Q_{k,\text{ref}}^{2};\lambda)=\tau_{k}$. This procedure is described in detail in Refs. [4]. By tuning $\lambda$ one can make $R_{x_{i},x_{\text{ref}}}(\lambda;\tau_{k})\rightarrow 1$ for all $\tau_{k}$. In order to find optimal value $\lambda_{\rm min}$ that minimizes deviations of ratios (4) from unity we form the chi-square measure $\chi_{x_{i},x_{\text{ref}}}^{2}(\lambda)=\frac{1}{N_{x_{i},x_{\text{ref}}}-1}{\displaystyle\sum\limits_{k\in x_{i}}}\frac{\left(R_{x_{i},x_{\text{ref}}}(\lambda;\tau_{k})-1\right)^{2}}{\Delta R_{x_{i},x_{\text{ref}}}(\lambda;\tau_{k})^{2}}$ (5) where the sum over $k$ extends over all points of given $x_{i}$ that have overlap with $x_{\text{ref}}$, and ${N_{x_{i},x_{\text{ref}}}}$ is a number of such points. ## 3 Deep Inelastic Scattering at HERA In the case of DIS the relevant scaling observable is $\gamma^{\ast}p$ cross section and variable $x$ is simply Bjorken $x$. In Fig. 1 we present 3-d plot of $\lambda_{\min}({x,x_{\rm ref}})$ which has been found by minimizing (5). Figure 1: Three dimensional plot of $\lambda_{\mathrm{min}}(x,x_{\mathrm{ref}})$ obtained by minimization of Eq. (5). Qualitatively, GS is given by the independence of $\lambda_{\text{min}}$ on Bjorken $x$ and by the requirement that the pertinent value of $\chi_{x,x_{\text{ref}}}^{2}(\lambda_{\text{min}})$ should be small (for the discussion of the latter see Refs. [4]). We see from Fig. 1 that the stability corner of $\lambda_{\text{min}}$ extends up to $x_{\text{ref}}\lesssim 0.1$, which is well above the original expectations. In Ref. [4] we have shown that: $\lambda=0.32-0.34\,\,\,\,\,{\rm for}\,\,\,\,\,x\leq 0.08.$ (6) ## 4 Central rapidity $p_{\rm T}$ spectra at the LHC Figure 2: Ratios of CMS $p_{\mathrm{T}}$ spectra [13] at 7 TeV to 0.9 (blue circles) and 2.36 TeV (red triangles) plotted as functions of $p_{\mathrm{T}}$ (left) and scaling variable $\sqrt{\tau}$ (right) for $\lambda=0.27$. In hadronic collisions at c.m. energy $W=\sqrt{s}$ particles are produced in the scattering process of two patrons carrying Bjorken $x$’s $x_{1,2}=e^{\pm y}\,p_{\text{T}}/W.$ (7) For central rapidities $x=x_{1}\sim x_{2}$. It has been shown that in this case charged particle multiplicity spectra exhibit GS [1] $\left.\frac{dN}{dyd^{2}p_{\text{T}}}\right|_{y\simeq 0}=\frac{1}{Q_{0}^{2}}F(\tau)$ (8) where $F$ is a universal dimensionless function of the scaling variable $\tau=p_{\text{T}}^{2}/Q_{\text{s}}^{2}(x)=p_{\text{T}}^{2}/Q_{0}^{2}\,\left(p_{\rm T}/(x_{0}\sqrt{s})\right)^{\lambda}.$ (9) Therfore the scaling observable is $\sigma(W,p_{\rm T}^{2})={dN}/{dyd^{2}p_{\text{T}}}$ and the method of ratios is applied to the multiplicity distributions at different energies ($W_{i}$ taking over the role of $x_{i}$ in Eq. (4)). For $W_{\rm ref}$ we take the highest LHC energy of 7 TeV. Therefore one can form two ratios $R_{W_{i},W_{\rm ref}}$ with $W_{1}=2.36$ and $W_{2}=0.9$ TeV. These ratios are plotted in Fig. 2 for the CMS single non-diffractive spectra for $\lambda=0$ and for $\lambda=0.27$, which minimizes (5) in this case. We see that original ratios plotted in terms of $p_{\text{T}}$ range from 1.5 to 7, whereas plotted in terms of $\sqrt{\tau}$ they are well concentrated around unity. The optimal exponent $\lambda$ is, however, smaller than in the case of DIS. Why this so, remains to be understood. ## 5 Violation of geometrical scaling in forward rapidity region For $y>0$ two Bjorken $x$’s can be quite different: $x_{1}>x_{2}$. Therefore looking at the spectra with increasing $y$ one can eventually reach $x_{1}>x_{\mathrm{max}}$ and GS violation should be seen. To this end we shall use pp data from NA61/SHINE experiment at CERN [14] at different rapidities $y=0.1-3.5$ and at five different energies $W_{1,\ldots,5}=17.28,\;12.36,\;8.77,\;7.75$, and $6.28$ GeV. Figure 3: Ratios $R_{1k}$ as functions of $\sqrt{\tau}$ for the lowest rapidity $y=0.1$: a) for $\lambda=0$ when $\sqrt{\tau}=p_{\mathrm{T}}$ and b) for $\lambda=0.27$ which corresponds to GS. Figure 4: Ratios $R_{1k}$ as functions of $\sqrt{\tau}$ for $\lambda=0.27$ and for different rapidities a) $y=0.7$ and b) $y=1.3$. With increase of rapidity, gradual closure of the GS window can be seen. In Fig. 3 we plot ratios $R_{1i}=R_{W_{1},W_{i}}$ (4) for $\pi^{-}$ spectra in central rapidity for $\lambda=0$ and 0.27. For $y=0.1$ the GS region extends towards the smallest energy because $x_{\rm max}$ is as large as 0.08. However, the quality of GS is the worst for the lowest energy $W_{5}$. By increasing $y$ some points fall outside the GS window because $x_{1}\geq x_{\rm max}$, and finally for $y\geq 1.7$ no GS should be present in NA61/SHINE data. This is illustrated nicely in Fig. 4. ## 6 Conclusions We have shown that GS in DIS works well up to rather large Bjorken $x$’s with exponent $\lambda=0.32-0.34$. In pp collisions at the LHC energies in central rapidity GS is seen in the charged particle multiplicity spectra, however, $\lambda=0.27$ in this case. By changing rapidity one can force one of the Bjorken $x$’s of colliding patrons to exceed $x_{\rm max}$ and GS violation is expected. Such behavior is indeed observed in the NA61/SHINE pp data. The author wants to thank M. Gazdzicki and Sz. Pulawski for the access to the NA61/SHINE data and to T. Stebel for collaboration and remarks. Many thanks are due to the organizers of this successful series of conferences. This work was supported by the Polish NCN grant 2011/01/B/ST2/00492. ## References * [1] L. McLerran and M. Praszalowicz, Acta Phys. Polon. B 41 (2010) 1917 and Acta Phys. Polon. B 42 (2011) 99. * [2] M. Praszalowicz, Phys. Rev. Lett. 106 (2011) 142002. * [3] M. Praszalowicz, Acta Phys. Polon. B 42 (2011) 1557 and arXiv:1205.4538 [hep-ph]. * [4] M. Praszalowicz and T. Stebel, JHEP 1303, 090 (2013) and arXiv:1302.4227 [hep-ph], to be published in JHEP. * [5] M. Praszalowicz, arXiv:1301.4647 [hep-ph], to be published in Phys. Rev. D. * [6] A. M. Stasto, K. J. Golec-Biernat and J. Kwiecinski, Phys. Rev. Lett. 86, 596 (2001). * [7] L. V. Gribov, E. M. Levin and M. G. Ryskin, Phys. Rept. 100 (1983) 1; A. H. Mueller and J-W. Qiu, Nucl. Phys. 268 (1986) 427; A. H. Mueller, Nucl. Phys. B558 (1999) 285. * [8] K. J. Golec-Biernat and M. Wüsthoff, Phys. Rev. D 59 (1998) 014017 and Phys. Rev. D 60 (1999) 114023. * [9] A. H. Mueller, _Parton Saturation: An Overview_ , arXiv:hep-ph/0111244. * [10] L. McLerran, Acta Phys. Pol. B 41, 2799 (2010). * [11] C. Adloff et al. [H1 Collaboration], Eur. Phys. J. C 21 (2001) 33; S. Chekanov et al. [ZEUS Collaboration], Eur. Phys. J. C 21 (2001) 443. * [12] F. Caola, S. Forte and J. Rojo, Nucl. Phys. A 854, 32 (2011). * [13] V. Khachatryan et al. [CMS Collaboration], JHEP 1002 (2010) 041 and Phys. Rev. Lett. 105 (2010) 022002 and JHEP 1101 (2011) 079. * [14] N. Abgrall et al. [NA61/SHINE Collaboration], Report from the NA61/SHINE experiment at the CERN SPS CERN-SPSC-2012-029, SPSC-SR-107; A. Aduszkiewicz, Ph.D. Thesis in prepartation, University of Warsaw, 2013; Sz. Pulawski, talk at 9th Polish Workshop on Relativistic Heavy-Ion Collisions, Kraków, November 2012 and private communication.
arxiv-papers
2013-04-06T09:03:58
2024-09-04T02:49:43.960210
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Michal Praszalowicz", "submitter": "Michal Praszalowicz", "url": "https://arxiv.org/abs/1304.1867" }
1304.2314
arxiv-papers
2013-04-08T19:00:01
2024-09-04T02:49:43.981261
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Thomas Morrell", "submitter": "Thomas Morrell", "url": "https://arxiv.org/abs/1304.2314" }
1304.2389
11institutetext: A. Ptok 22institutetext: Institute of Physics, University of Silesia, 40-007 Katowice, Poland, 22email: [email protected] 33institutetext: D. Crivelli 44institutetext: Institute of Physics, University of Silesia, 40-007 Katowice, Poland, 44email: [email protected] # The Fulde-Ferrell-Larkin-Ovchinnikov state in pnictides Andrzej Ptok Dawid Crivelli (Received: date / Accepted: date) ###### Abstract Fe-based superconductors (FeSC) exhibit all the properties of systems that allow the formation of a superconducting phase with oscillating order parameter, called the Fulde–Ferrell–Larkin–Ovchinnikov (FFLO) phase. By the analysis of the Cooper pair susceptibility in two-band FeSC, such systems are shown to support the existence of a FFLO phase, regardless of the exhibited order parameter symmetry. We also show the state with nonzero Cooper pair momentum, in superconducting FeSC with $\sim\cos(k_{x})\cdot\cos(k_{y})$ symmetry, to be the ground state of the system in a certain parameter range. ###### Keywords: FFLO pnictides ###### pacs: 74.20.-z 74.70.Xa 74.81.-g ††journal: Journal of Low Temperature Physics ## 1 Introduction At low temperatures the orbital pair breaking effects are smaller in magnitude than the Pauli paramagnetic effect, so that superconductivity survives up to the Pauli limit – a phase with oscillating order parameter (called the Fulde–Ferrell–Larkin–Ovchinnikov phase or FFLO in short) FFLO can be more stable than a phase with a constant order parameter (the Bardeen–Cooper–Schrieffer phase, or BCS in short). In this case, Cooper pairs may be formed with non-zero total momentum between Zeeman-split parts of the Fermi surface. Properties of this phase have been usually evaluated in tight-binding models of one-band systems. tbmodel However the latest experimental fflo.fesc and theoretical fflo.fesc.th works suggest we can expect the existence of the FFLO phase in multi-band Fe-based superconductors (FeSC). It follows from the fact that they possess properties close to heavy fermions systems, matsuda.shimahara.07 for which strong experimental evidence suggest the existence of said phase. fflo.hf Both kinds of systems are multi-layered, clean and have a relatively high Maki parameter. In this paper, making use of the Cooper pair susceptibility and the the minimization of free energy of the system, we discuss the possible appearance of the FFLO phase in pnictides. In Section 2 we describe the selected model of FeSC, in Section 3 we present our methods. In Section 4 we illustrate and discuss our numerical results. We summarize the results in Section 5. ## 2 Theoretical model The FeSC system is described using a two-orbital per site model, with hybridization between the $d_{xz}$ and $d_{yz}$ orbitals. We adopt the band structure proposed in Ref. raghu.qi.08 and assume that the external magnetic field is parallel to the plane. The Hamiltonian of the system in momentum space takes the following form: $\displaystyle H_{0}$ $\displaystyle=$ $\displaystyle\sum_{{\bm{k}}\sigma}\sum_{\alpha\beta}(T^{\alpha\beta}_{\bm{k}}-(\mu+\sigma h)\delta_{\alpha\beta})c_{\alpha{\bm{k}}\sigma}^{\dagger}c_{\beta{\bm{k}}\sigma}$ (1) $\displaystyle T^{11}_{\bm{k}}$ $\displaystyle=$ $\displaystyle-2\left(t_{1}\cos(k_{x})+t_{2}\cos(k_{y})\right)-4t_{3}\cos(k_{x})\cos(k_{y}),$ $\displaystyle T^{22}_{\bm{k}}$ $\displaystyle=$ $\displaystyle-2\left(t_{2}\cos(k_{x})+t_{1}\cos(k_{y})\right)-4t_{3}\cos(k_{x})\cos(k_{y}),$ $\displaystyle T^{12}_{\bm{k}}$ $\displaystyle=$ $\displaystyle T^{21}_{\bm{k}}=-4t_{4}\sin(k_{x})\sin(k_{y}),$ where $c_{\alpha{\bm{k}}\sigma}^{\dagger}$ ($c_{\alpha{\bm{k}}\sigma}$) is the creation (annihilation) operator of a particle with momentum ${\bm{k}}$ and spin $\sigma$ in the orbital $\alpha$. $T^{\alpha\beta}_{{\bm{k}}\sigma}$ is the kinetic energy term of a particle with momentum ${\bm{k}}$ changing the orbital from $\beta$ to $\alpha$, $\mu$ is the chemical potential and $h$ is the external magnetic field. The hoppings have magnitudes: $(t_{1},t_{2},t_{3},t_{4})=(-1.0,1.3,-0.85,-0.85)$, in units of $|t_{1}|$. At half-filling, a configurations with two electrons per site requires $\mu=1.54|t_{1}|$. Our choice of the parameter set is motivated by the fact that it reproduces the same Fermi surface structure as the local-density approximation calculations of band structure. fermisurface By diagonalizing the above Hamiltonian, one obtains $\displaystyle H^{\prime}_{0}$ $\displaystyle=$ $\displaystyle\sum_{\varepsilon{\bm{k}}\sigma}E_{\varepsilon{\bm{k}}\sigma}d_{\varepsilon{\bm{k}}\sigma}^{\dagger}d_{\varepsilon{\bm{k}}\sigma}$ (2) with eigenvalues $E_{\varepsilon{\bm{k}}\sigma}=E_{\varepsilon{\bm{k}}}-(\mu+\sigma h)$, where: $E_{\pm,{\bm{k}}}=\frac{T_{\bm{k}}^{11}+T_{\bm{k}}^{22}}{2}\pm\sqrt{\left(\frac{T_{\bm{k}}^{11}-T_{\bm{k}}^{22}}{2}\right)^{2}+\left(T_{\bm{k}}^{12}\right)^{2}},$ (3) $d_{\varepsilon{\bm{k}}\sigma}^{\dagger}$ is a new fermion quasi-particle operator in the band $\varepsilon=\pm$. In this case we have two Fermi surfaces (Fig. 4.a) – giving an electron-like band ($\varepsilon=+$) and hole- like band ($\varepsilon=-$). ## 3 Methods Figure 1: (Color online) The vector ${\bm{\delta}}$ defines the pairing between sites $i$ and $i+{\bm{\delta}}$ for different symmetries of the order parameter. Colors and symbols correspond to the sign of the order parameter for a given direction in real space. For s-wave symmetry the pairing is between two electrons on the same site of the lattice, while for other symmetries it is between two other sites (nearest neighbors or next nearest neighbors). In contrast to $d$ type symmetries, $s$ type symmetries do not change sign depending on the direction. We introduce a superconducting pairing between the long-lived quasi-particles in bands $\varepsilon=\pm$. linder.sudbo.09 To determine the possibility of formation of the FFLO phase, we turn our attention to the static Cooper pairs susceptibility: $\displaystyle\chi_{\varepsilon}^{\Delta}({\bm{q}})$ $\displaystyle\equiv$ $\displaystyle\lim_{\omega\rightarrow 0}\frac{-1}{N}\sum_{{\bm{i}}{\bm{j}}}\exp(i{\bm{q}}\cdot({\bm{i}}-{\bm{j}}))\langle\langle\widehat{\Delta}_{\varepsilon{\bm{i}}}|\widehat{\Delta}_{\varepsilon{\bm{j}}}^{\dagger}\rangle\rangle^{r},$ (4) where $\langle\langle\ldots\rangle\rangle^{r}$ is the retarded Green’s function and $\widehat{\Delta}_{\varepsilon{\bm{i}}}=\sum_{\bm{j}}\vartheta({\bm{j}}-{\bm{i}})d_{\varepsilon{\bm{i}}\uparrow}d_{\varepsilon{\bm{j}}\downarrow}$ is the OP in band $\varepsilon$. The operator $d_{\varepsilon{\bm{i}}\sigma}$ in real space corresponds to the operator $d_{\varepsilon{\bm{k}}\sigma}$ in momentum space. The Factor $\vartheta({\bm{j}}-{\bm{i}})$ defines the OP symmetries (Fig. 1) – for example for $d_{x^{2}-y^{2}}$-wave pairing, $\vartheta({\bm{\delta}})$ is equal to $1$ ($-1$) for ${\bm{\delta}}=\pm\hat{x}$ ($\pm\hat{y}$) and zero otherwise. In momentum space: $\displaystyle\chi_{\varepsilon}^{\Delta}({\bm{q}})=\lim_{\omega\rightarrow 0}\frac{-1}{N}\sum_{{\bm{k}}{\bm{l}}}\eta(-{\bm{k}}-{\bm{q}})\eta({\bm{l}}){\bm{G}}_{\varepsilon}({\bm{k}},{\bm{l}},{\bm{q}},\omega),$ (5) $\displaystyle{\bm{G}}_{\varepsilon}({\bm{k}},{\bm{l}},{\bm{q}},\omega)=\langle\langle d_{\varepsilon{\bm{k}}\uparrow}d_{\varepsilon,-{\bm{k}}-{\bm{q}}\downarrow}|d_{\varepsilon,-{\bm{l}}-{\bm{q}}\downarrow}^{\dagger}d_{\varepsilon{\bm{l}}\uparrow}^{\dagger}\rangle\rangle^{r}=\delta_{{\bm{k}}{\bm{l}}}\frac{f(-E_{\varepsilon{\bm{k}}\uparrow})-f(E_{\varepsilon,-{\bm{k}}-{\bm{q}}\downarrow})}{\omega- E_{\varepsilon{\bm{k}}\uparrow}-E_{\varepsilon,-{\bm{k}}-{\bm{q}}\downarrow}},$ where $\eta({\bm{k}})$ is the structure factor: $\displaystyle\eta({\bm{k}})=\left\\{\begin{array}[]{cc}1&$for s-wave$\\\ 2\left(\cos(k_{x})+\cos(k_{y})\right)&$for $s_{x^{2}+y^{2}}$-wave$,\\\ 4\cos(k_{x})\cos(k_{y})&$for $s_{x^{2}y^{2}}(s_{\pm})$-wave$,\\\ 2\left(\cos(k_{x})-\cos(k_{y})\right)&$for $d_{x^{2}-y^{2}}$-wave$,\\\ 4\sin(k_{x})\sin(k_{y})&$for $d_{x^{2}y^{2}}$-wave$,\end{array}\right.$ (12) corresponding to the type of symmetry of the OP. We investigate the tendency to form the FFLO phase in the system, using the static Cooper pairs susceptibility $\chi_{\varepsilon}^{\Delta}({\bm{q}})$. In magnetic fields of the order of the Pauli limit, when the critical FFLO field ($h_{c}^{FFLO}$) is bigger than the corresponding BCS field ($h_{c}^{BCS}$), the FFLO phase is favored. In such case, the divergence of this function for some ${\bm{q}}\neq 0$ may imply a second-order transition to the FFLO state of corresponding symmetry from the normal phase. mierzejewski.ptok.09 The location of the maximum of the response function $\chi_{\varepsilon}^{\Delta}({\bm{q}})$ matches the preferred momentum of the Cooper pairs in the system described by the Hamiltonian (2) in magnetic field $h$. This method allows to establish the propensity to form the superconducting phase (with non-zero momentum of the Cooper pairs) without specifying the mechanisms responsible for the ordered phases with given symmetry. Additionally we obtain the change in the pair susceptibilities $\delta\chi_{\varepsilon}^{\Delta}({\bm{q}})=\chi_{\varepsilon}^{\Delta}({\bm{q}})-\bar{\chi}_{\varepsilon}^{\Delta}({\bm{q}})$ due to the external magnetic field ($\chi_{\varepsilon}^{\Delta}({\bm{q}})$ with the field, $\bar{\chi}_{\varepsilon}^{\Delta}({\bm{q}})$ without respectively). It should be noted that the divergence of the Cooper-pair susceptibility is neither a sufficient condition nor evidence for the transition to the FFLO state. In order for this to happen the system energy $\Omega({\bm{q}})$ should attain its minimum at a nonzero Cooper pair momentum ${\bm{q}}$ in a magnetic field $h>h_{c}^{BCS}$, equivalent to the condition $h_{c}^{FFLO}>h_{c}^{BCS}$. To check this, we effectively describe superconductivity in the FFLO phase by the Hamiltonian: $H_{SC}=\sum_{\varepsilon{\bm{k}}}\left(\Delta_{\varepsilon{\bm{k}}}d_{\varepsilon{\bm{k}}\uparrow}d_{\varepsilon,-{\bm{k}}+{\bm{q}}_{\varepsilon}\downarrow}+H.c.\right),$ (13) where $\Delta_{\varepsilon{\bm{k}}}=\Delta_{\varepsilon}\eta({\bm{k}})$ is the amplitude of the OP for Cooper pairs with total momentum ${\bm{q}}_{\varepsilon}$ (in band $\varepsilon$ with symmetry described by $\eta({\bm{k}})$). As we see, in the operator basis $d_{\varepsilon{\bm{k}}\sigma}$ the total Hamiltonian $H=H^{\prime}_{0}+H_{SC}$ formally describes a system with two independent bands. Using the Bogoliubov transformation we can find the eigenvalues of $H$: $\displaystyle\lambda_{\varepsilon{\bm{k}}}^{\pm}$ $\displaystyle=$ $\displaystyle\frac{E_{\varepsilon{\bm{k}}\uparrow}-E_{\varepsilon,-{\bm{k}}+{\bm{q}}\downarrow}}{2}\pm\sqrt{\left(\frac{E_{\varepsilon{\bm{k}}\uparrow}+E_{\varepsilon,-{\bm{k}}+{\bm{q}}\downarrow}}{2}\right)^{2}+|\Delta_{\varepsilon{\bm{k}}}|^{2}}.$ (14) The free energy is given by: $\displaystyle\Omega=-kT\sum_{\alpha\in\pm}\sum_{\varepsilon{\bm{k}}}\ln\left(1+\exp(-\beta\lambda_{\varepsilon{\bm{k}}}^{\alpha})\right)+\sum_{\varepsilon{\bm{k}}}\left(E_{\varepsilon{\bm{k}}\downarrow}-\frac{2|\Delta_{\varepsilon}|^{2}}{V_{\varepsilon}}\right),$ (15) where $V_{\varepsilon}$ is the interaction intensity in band $\varepsilon$. The global ground state for fixed $h$ and $T$ is found by minimizing the free energy w.r.t. the OPs and ${\bm{q}}$. ## 4 Numerical results and discussion Numerical calculations were carried out for a square lattice $N_{x}\times N_{y}=600\times 600$ with periodic boundary conditions, for $kT=10^{-5}|t_{1}|$. As a first step the static Cooper pairs susceptibility $\chi_{\varepsilon}^{\Delta}({\bm{q}})$ was calculated in magnetic field $h=0.25|t_{1}|$. Then the free energy $\Omega({\bm{q}})$ of the superconducting system was evaluated for magnetic fields near the Pauli limit $h_{P}\simeq 0.25|t_{1}|$. ### The static Cooper pairs susceptibility. Assuming different symmetries $\eta({\bm{k}})$ of the superconducting OP in bands $\varepsilon=\pm$, we characterized the Cooper pair susceptibility – Fig. 2. For every OP symmetry, in the band $\varepsilon=-$ the static Cooper pairs susceptibility $\chi_{-}^{\Delta}({\bm{q}})$ takes its maximum for ${\bm{q}}\neq 0$. Conversely in the band $\varepsilon=+$, with $s_{x^{2}+y^{2}}$ and $d_{x^{2}y^{2}}$ symmetry of the OP, there is a strong tendency to form a BCS phase (maximum $\chi_{+}^{\Delta}({\bm{q}})$ for ${\bm{q}}=0$). When $h_{c}^{FFLO}>h_{c}^{BCS}$ this can be a sign of the existence of the FFLO phase in the band $\varepsilon=-$, while the band $\varepsilon=+$ is in the normal state. Numerical data for both d-wave type symmetries in band $\varepsilon=-$ is less clear cut, as the maximum $\chi({\bm{q}})$ is only slightly greater than $\chi({\bm{0}})$. Figure 2: (Color online) The static Cooper pairs susceptibility $\chi_{\varepsilon}^{\Delta}({\bm{q}})$ in the presence of the external magnetic field $h=0.25|t_{1}|$ and $kT=10^{-5}|t_{1}|$ for different symmetries. Figure 3: (Color online) Change in the static Cooper pairs susceptibility $\delta\chi_{\varepsilon}^{\Delta}({\bm{q}})$ (for data presented in Fig. 2) There is a clear preference in case of $\varepsilon=-$ for much smaller momenta than in band $\varepsilon=+$, due to the relative width of the bands. Cooper pair momenta depend on the split in the Fermi surface, caused by the external magnetic field, which is larger for the broader band $\varepsilon=+$. Additionally the presence of a magnetic field causes a dampening in each case of the response function near zero momentum (Fig. 3 – in blue). Nonetheless larger momenta are unaffected and increasing (in red). The behaviour of the response function $\chi_{\varepsilon}^{\Delta}({\bm{q}})$ shows that multi-band systems have the characteristics typical of one-band systems – Cooper pairs in the FFLO phase possessing momentum along the principal directions of the system are preferred, fflo.onedirection – for example in directions $[\pm 1,0]$ and $[\pm 1,1]$ for s-wave and $d_{x^{2}-y^{2}}$-wave symmetry respectively in band $\varepsilon=+$ (Fig. 2). ### Minimization of free energy. Theoretical results indicate the presence of $s_{x^{2}y^{2}}\sim\cos(k_{x})\cdot\cos(k_{y})$ (also called $s_{\pm}$) pairing symmetry in FeSC . op.symmetry In this case the OP exhibits a sign reversal between the hole pockets and electron pockets (Fig. 4.a). Taking this into account, in this paragraph only consider $s_{x^{2}y^{2}}$ symmetry. $V_{\varepsilon}$ was taken such that the Pauli limit was of the order $h_{P}\simeq 0.25|t_{1}|$ ($V_{+}=-0.74|t_{1}|$ and $V_{-}=-1.56|t_{1}|$). Figure 4: (Color online) Detailed study of the minimal two-band model describing iron-base superconductors with $s_{x^{2}y^{2}}(s_{\pm})$-wave symmetry proposed by Ref. raghu.qi.08 . (Panel a) Fermi surfaces (solid line) for $\mu=1.54|t_{1}|$. The background color describes the sign of the OP (red for $\eta({\bm{k}})>0$ and blue for $\eta({\bm{k}})<0$). (Panel b) The free energy $\Omega({\bm{q}})$ in the two bands $\varepsilon=\pm$, for different values of the Cooper pair momentum ${\bm{q}}$, showing the location of the minima and indicating the existence of different phases. Results for $h=0.25|t_{1}|$ and temperature $kT=10^{-5}|t_{1}|$. The study of the free energy $\Omega({\bm{q}})$ for the BCS state (${\bm{q}}=0$) w.r.t. magnetic fields $h\simeq h_{P}$, showed that phase transitions in both bands are first-order for all symmetries, except for $s_{x^{2}+y^{2}}$ and $d_{x^{2}y^{2}}$ which are second-order. Only the minimization of $\Omega({\bm{q}})$ w.r.t. ${\bm{q}}$, allows to check whether the system exhibits a FFLO phase. Varying ${\bm{q}}\in FBZ$ in case of $s_{x^{2}y^{2}}$ pairing showed that the band $\varepsilon=+$ undergoes a transition from BCS to the normal state and the band $\varepsilon=-$ from BCS to FFLO state (Fig. 4.b). Further increasing the magnetic field, the FFLO phase persists in $\varepsilon=-$. It should be pointed out that in this band exist four equivalent Cooper pair momenta $(\pm q,0)$ and $(0,\pm q)$, in agreement with the static Cooper pairs susceptibility results, and also with previous works. fflo.onedirection Moreover, it is reasonable to expect that the phase with an OP given by the superposition of plane waves with said momenta would be energetically favored by the system. moreq ## 5 Summary FeSC exhibit many characteristic features of systems in which we can expect the existence of the FFLO phase. Using a minimal two-band model for FeSC, we conducted a numerical study of FFLO phase in multi-band systems. The static Cooper pair susceptibility suggests that we can expect the system to prefer the state with nonzero Cooper pair momenta (the FFLO phase) regardless of the OP symmetry, when $h_{c}^{FFLO}>h_{c}^{BCS}$. Moreover, the ground state of the system with $s_{x^{2}y^{2}}\sim\cos(k_{x})\cdot\cos(k_{y})$ symmetry OP, can be the state with nonzero Cooper pair momentum for magnetic fields near the Pauli limit. ###### Acknowledgements. D.C. acknowledges a scholarship from the TWING project, co-funded by the European Social Fund. ## References * (1) P. Fulde and R. A. Ferrell, Phys. Rev. 135, A550 (1964); A. I. Larkin and Yu. N.Ovchinnikov, Zh. Eksp. Teor. Fiz. 47, 1136 (1964) [Sov. Phys. JETP 20 762 (1965)]. L. W. Gruenberg and L. Gunther, Phys. Rev. Lett. 16, 996 (1966). * (2) H. Shimahara, J. Phys. Soc. Jpn. 66, 541 (1997); H. Shimahara, J. Supercond. 12, 469 (1999); H. 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arxiv-papers
2013-04-08T12:49:59
2024-09-04T02:49:43.987098
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Andrzej Ptok and Dawid Crivelli", "submitter": "Andrzej Ptok", "url": "https://arxiv.org/abs/1304.2389" }
1304.2449
# On nonlinear Schrödinger equations with random potentials: existence and probabilistic properties Leandro Cioletti Departamento de Matemática, UnB, 70910-900 Brasília, Brazil. E-mail:[email protected] Lucas C. F. Ferreira Universidade Estadual de Campinas, IMECC - Departamento de Matemática, Rua Sérgio Buarque de Holanda, 651, CEP 13083-859, Campinas-SP, Brazil. E-mail:[email protected] Marcelo Furtado Departamento de Matemática, UnB, 70910-900 Brasília, Brazil. E-mail:[email protected] ###### Abstract In this paper we are concerned with nonlinear Schrödinger equations with random potentials. Our class includes continuum and discrete potentials. Conditions on the potential $V_{\omega}$ are found for existence of solutions almost sure $\omega$. We study probabilistic properties like central limit theorem and law of larger numbers for the obtained solutions by independent ensembles. We also give estimates on the expected value for the $L^{\infty}$-norm of the solution showing how it depends on the size of the potential. AMS 2000 subject classification: 47B80, 60H25, 35J60, 35R60, 82B44, 47H10 Keywords: Random potentials; Random nonlinear equations; Schrödinger operators ## 1 Introduction A class of models that appears naturally in a wide number of phenomena are the random differential equations. This occurs because randomness is a powerful tool and concept to control complex systems involving a large number of variables and particles. The basic idea is describe complex systems by means of their statistical properties. Another kind of phenomena are those governed by quantum mechanics and uncertainty principle. In this direction, we have Schrödinger equations, and their random versions, which are core in the study of condensed matter. In this paper we are concerned with a random version of the nonlinear Schrödinger equation $ih\dfrac{\partial\psi}{\partial t}=-h^{2}\Delta\psi+V(x)\psi-|\psi|^{p-1}\psi,\leavevmode\nobreak\ \leavevmode\nobreak\ x\in\mathbb{R}^{n},$ (1.1) where $t\in\mathbb{R}$, $n\geq 3$, $p>1$, $h$ is the Planck constant and $i$ is the imaginary unit. When looking for standing wave solutions, namely those which have the special form $\psi(x,t):=e^{-i\frac{E}{h}t}u(x)$, with $E\in\mathbb{R}$, we are leading to solve the following stationary equation $-\Delta u+V(x)u=|u|^{p-1}u,\leavevmode\nobreak\ \leavevmode\nobreak\ \leavevmode\nobreak\ x\in\mathbb{R}^{N}.$ From the physical viewpoint, the function $V$ is the potential energy, and therefore the force acting on the system is given by $F(x)=-\nabla V(x)$. In the deterministic case, there are many papers concerning existence, multiplicity and qualitative properties for the solution of the above equation (see [19, 11, 2, 1] and references therein). The main interest of this paper is to study situations where the potential $V$ is not deterministic. Worth to mention that during the last thirty years, random Schrödinger operators, which originated in condensed matter physics, have been studied intensively by physicists and mathematicians. The theory is at the crossroads of a number of mathematical fields: the theory of operators, partial differential equations, the theory of probabilities and also stochastic process. This paper aims to prove the existence and probabilistic properties of bounded solutions for the random equation $\left\\{\begin{array}[]{rcll}-\Delta u+V_{\omega}(x)u&=&b(x)u|u|^{p-1}+g(x),&\text{if}\ x\in U;\\\\[4.26773pt] u&=&0,&\text{if}\ x\in\partial U,\end{array}\right.$ (1.2) where $V_{\omega}$ is a random variable, $U\subset\mathbb{R}^{n}$ is a bounded domain and the terms $b,\,g\in L^{\infty}(U)$ are deterministic. In fact, the boundedness of $U$ is not essential and could be circumvented by working in weighted $L^{\infty}$-spaces or Lebesgue spaces $L^{s}(\mathbb{R}^{n})$ with $s\neq\infty$ (see [13, 14]). However, here this condition will simplify matters a bit. The random potential $V_{\omega}$ is constructed via a convolution with a realization of a random variable valued in the finite random measure space. Precisely, given a continuous function $f:\mathbb{R}^{N}\rightarrow\mathbb{R}$ we consider $V_{\omega}(x):=\int_{U}f(x-y)\,d{\mu_{\omega}}(y)$ (1.3) where $\mu_{\omega}$ is a $\mathcal{M}(U)$-valued random variable. We present here some examples of (1.3) that have been treated in the literature (see e.g. the review [17]). We first consider a model of an unordered alloy, that is, a mixture of several materials with atoms located at lattice positions. If we assume that the type of atom at the lattice $i\in\mathbb{Z}^{n}$ is random we are leading to consider the following type of potential $V_{\omega}(x)=\sum_{i\in\mathbb{Z}^{n}}q_{i}(\omega)f(x-i),$ (1.4) where the random variables $q_{i}$ describe the charge of the atom at the position $i$ of the lattice. Other example can be obtained if we consider materials like glass or rubber, where the position of the atoms of the material are located at random points $\eta_{i}$ in space. By normalizing the charge of the atoms, the suggested potential is formally $V_{\omega}(x)=\sum_{i\in\mathbb{Z}^{n}}f(x-\eta_{i}(\omega)),$ (1.5) where the $\eta_{i}(\omega)$ are random variables which localize the atoms in the spaces. The class of potentials allowed here is sufficient large to consider many known models. For example, the case of glass considered in (1.5) can be obtained if we take the random point measure $\mu_{\omega}=\sum_{i}\delta_{\eta_{i}(\omega)}$. Actually, for this choice of the measure we have that $\sum_{i\in\mathbb{Z}^{n}\cap U}f(x-\eta_{i}(\omega))=\int_{U}f(x-\eta)d\mu_{\omega}(\eta).$ (1.6) Also, a combination of potentials like (1.4) and (1.5), namely $\Sigma_{{}_{i\in\mathbb{Z}^{n}\cap U}}q_{i}(\omega)f(x-\eta_{i}(\omega))$ (see [8]), is also covered by (1.3) with $\mu_{\omega}=\Sigma_{{}_{i\in\mathbb{Z}^{n}\cap U}}q_{i}(\omega)\delta_{\eta_{i}(\omega)}$. It is not difficult to see that we can also consider other models like, e.g., the Poisson model (see [17] for more examples). The models (1.4) and (1.5) correspond to discrete measures $\mu_{\omega}$ and results for them about localization, spectral properties or decays can be found in [5, 8, 15, 17, 20]. For Schrödinger equations defined in a lattice, that is $x\in\mathbb{Z}^{n}$, we refer the reader to [4, 6]. Considering a random time-dependent potential for (1.1), the authors of [3] studied asymptotic behavior of solutions by showing convergence for stochastic Gaussian limits when the two-point correlation function of the potential is rapidly decaying. Still for time random potentials, scaling limits for parabolic waves in random media were investigated in [12]. Despite important progress in the last years, there is still a lack of result for random equations, including Schrödinger ones (see [7]), mainly with respect to the continuum case which seems to be harder-to-treating. Another type of random equations are the parabolic ones, for which we refer the works [9, 10] and their references. In this paper we find conditions on the potential $V_{\omega}$ for the nonlinear equation (1.2) having solutions almost sure $\omega.$ The solution are understood in an integral sense coming from Green functions. From Theorem 3.5 we see how the expected value of the $L^{\infty}$-norm of solutions depends on the size of potential. Our results also cover continuum random potential like, among others, the examples given in Remark 3.3 and Theorem 3.4. Moreover, we study probabilistic properties like central limit theorem and law of larger numbers for the obtained solutions by independent ensembles. It is worthwhile to mention that, when dealing with the random variable $\omega\mapsto u(x,\omega)$ which maps an element of $\Omega$ in the solution of (1.2) associated with the random potential $V_{\omega}$, we need to extend some known concepts of real random variables for that taking values in a more general Banach space. We refer to Section 2 for more details. As a further comment, we observe that the random potentials considered in this paper are built from a very general probability space. In this setting does not always make sense to ask what is the probability that the problem (1.2) has an unique solution in $L^{\infty}(U)$. In order to give some sense to this question we should restrict ourself to probability spaces $(\Omega,\mathcal{F},\mathbb{P})$ and random potentials $V$ where the set $\\{\omega\in\Omega:\ \text{the problem \eqref{eqdif-est1} has a unique solution in}\ L^{\infty}(U)\\}$ is an event (measurable). Working in such probability spaces Theorem 3.2 give us immediately a lower bound for the probability that the non-linear problem (1.2) has a unique solution. The manuscript is organized as follows. In the next section, we introduce some notations, basic definitions and give some properties for an integral operator associated with the random potential $V_{\omega}.$ The results are stated and proved in Section 3. ## 2 Preliminaries and notation Throughout this paper $(\Omega,\mathcal{F},\mathbb{P})$ denotes a given complete probability space. If $(E,\mathcal{E})$ is a measurable space, any $(\mathcal{F},\mathcal{E})$-measurable function $X:\Omega\rightarrow E$ will be called a $E$-valued random variable. We use the abbreviation a.s. for almost surely or almost sure. Let $U\subset\mathbb{R}^{n}$ be a bounded domain. We adopt the standard notation $\mathcal{M}(U)$ to denote the set of all Random measures over $U$ having finite variation and we call $\mathscr{B}(\mathcal{M}(U))$ the $\sigma$-algebra of the borelians of $\mathcal{M}(U)$ generated by the total variation norm. The space of all bounded continuous real-valued functions defined on $U$ will be denoted by $BC(U)$. Since $BC(U)$ is a metric space with the supremum norm, when we refer to a $BC(U)$-valued random variable, the $\sigma$-algebra we are considering is always the one generated by the borelians. Similarly to a $\mathcal{X}$-valued Borel random variable $X:\Omega\rightarrow\mathcal{X},$ where $\mathcal{X}$ is an arbitrary metric space. The random potentials considered here are the $BC(U)$-valued random variables defined as follows. Take any random variable $X:\Omega\rightarrow\mathcal{M}(U)$ (which is simply a random measure in $\mathcal{M}(U)$) and a fixed function $f\in BC(\mathbb{R}^{n})$. Then, for $\mu_{\omega}=X(\omega)$, the function $V:\Omega\rightarrow BC(U)$ defined by $V_{\omega}(x):=\int_{U}f(x-y)\,d\mu_{\omega}(y),\leavevmode\nobreak\ \leavevmode\nobreak\ \leavevmode\nobreak\ x\in U,$ is a $BC(U)$-valued random variable that will be called a random potential. To see that $V$ is a well-defined $BC(U)$-valued random variable, is enough to consider the mapping $T_{f}:\mathcal{M}(U)\rightarrow BC(U)$ given by $T_{f}(\mu)(x)=\int_{U}f(x-y)\,d\mu(y),\leavevmode\nobreak\ \leavevmode\nobreak\ \leavevmode\nobreak\ x\in U,$ and to observe that $V=T_{f}\circ X$. In fact, if we denote by $\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}$ the total variation of the measure $\mu$, the inequality $\|T_{f}(\mu)\|_{\infty}:=\sup_{x\in U}|T_{f}(\mu)(x)|\leq\left(\sup_{x\in\mathbb{R}^{n}}\left|f(x)\right|\right)\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}$ (2.1) implies that $T_{f}$ is a continuous and Borel measurable function. Since $V$ is a composition of two Borel measurable functions, $V$ is a $BC(U)$-valued random variable. As usual, if $(U,\mathscr{B},\mu)$ is a measure space, we define $\|f\|_{L^{\infty}(U,d\mu)}=\inf\left\\{a\geq 0:\mu(\\{x:|f(x)|>a\\})=0\right\\}$ and the space $L^{\infty}(U,\mathscr{B}(U),\mu)$ as being the set $\\{f:U\rightarrow\mathbb{R}:f\ \text{is Borel measurable and}\ \|f\|_{L^{\infty}(U,d\mu)}<\infty\\}.$ When $d\mu=dx$ is the Lebesgue measure in $U\subset\mathbb{R}^{n},$ we simply denote $L^{\infty}(U)=L^{\infty}(U,\mathscr{B}(U),dx)$. Although we are assuming that $f\in BC(\mathbb{R}^{n})$, most of the results presented here are also valid if we suppose only the weaker condition $f\in\cap_{\mu\in\mathcal{M}(U-U)}L^{\infty}(U-U,\mathscr{B}(U-U),\mu)$. In order to state some convergence results obtained in this paper we need to use the notion of Bochner integrals. Let $(\mathcal{X},\|\cdot\|_{\mathcal{X}})$ be a Banach space and $(\Omega,\mathcal{F},\mathbb{P})$ be a probability space. If $X:\Omega\rightarrow\mathcal{X}$ is a $\mathcal{X}$-valued Borel random variable such that $X=Y$ a.s. in $\Omega,$ where $Y:\Omega\rightarrow\mathcal{X}$ is a $\mathcal{X}$-valued Borel random variable with $Y(\Omega)\subset\mathcal{X}$ separable, and $\int_{\Omega}\|X(\omega)\|_{\mathcal{X}}\,d\mathbb{P}(\omega)<\infty,$ then there exist a unique element $\mathbb{E}[X]\in\mathcal{X}$ with the property $\ell(\mathbb{E}[X])=\int_{\Omega}\ell(X(\omega))\,d\mathbb{P}(\omega)$ for all $\ell\in\mathcal{X}^{\ast}$, where $\mathcal{X}^{\ast}$ is the dual of $\mathcal{X}$. Following the standard notation we write $\mathbb{E}[X]=\int_{\Omega}X(\omega)\,d\mathbb{P}(\omega).$ We call $\mathbb{E}[X]$ the Bochner integral of $X$ with respect to $\mathbb{P}$. More details about the existence and some properties of this integral can be found in [16, 18]. For these $\mathcal{X}$-valued random variables we define the convergence in probability similarly to the real- valued case, that is, if $\\{X_{j}\\}$ is a sequence of $\mathcal{X}$-valued random variable we say that $X_{j}$ converges to a $\mathcal{X}$-valued random variable $X$ in probability if for all $\varepsilon>0$, we have $\lim_{j\rightarrow\infty}\mathbb{P}(\\{\omega\in\Omega:\|X_{j}(\omega)-X(\omega)\|_{\mathcal{X}}\geq\varepsilon\\})=0.$ (2.2) When $X$ is real-valued random variable, we use the usual notation and denote the expected value of $X$ and its variance by $\mathbb{E}[X]:=\int_{\Omega}X(\omega)\,d\mathbb{P}(\omega)\text{ \ \ and \ Var}\,X:=\mathbb{E}[(\mathbb{E}[X]-X)^{2}],$ respectively. For the both senses of expectation presented above we also use the notation $\mathbb{E}_{A}[X]=\int_{A}X(\omega)\,d\mathbb{P}(\omega),$ whenever $A\subset\Omega$ is measurable and the right-hand-side of the expression makes sense. Let $X$ and $Y$ be two $E$-valued random variable in the same probability space. We say that they are identically distributed if for all $A\in\mathcal{E}$ we have $\mathbb{P}(X^{-1}(A))=\mathbb{P}(Y^{-1}(A))$. Now we introduce the notion of independence. Given a finite set of random variables $X_{1},\ldots X_{j}$ we say they are independent if for all $A_{i}\in\mathcal{E},1\leq i\leq j$, we have $\mathbb{P}(\cap_{i=1}^{j}X_{i}\in A_{i})=\prod_{i=1}^{j}\mathbb{P}(X_{i}\in A_{i}).$ Finally a sequence of random variables $\\{X_{1},X_{2}\ldots\\}$ is said independent if all finite collection of this sequence form a set of independent random variables. If $X_{1},X_{2},\ldots$ is a sequence of independent and identically distributed random variables we say that $X_{1},X_{2},\ldots$ are i.i.d. random variables. ## 3 Main results and proofs Let $G$ be the Green function of the laplacian operator $-\Delta$ in the bounded domain $U\subset\mathbb{R}^{n}$ with $n\geq 3.$ It is known that, for all $x,\,y\in U$, there holds $0\leq G(x,y)\leq\frac{1}{n\alpha_{n}(n-2)}\frac{1}{|x-y|^{n-2}},\leavevmode\nobreak\ $ where $\alpha_{n}$ stands for the volume of the unit ball in $\mathbb{R}^{n}$. Hence, if we denote by $d_{U}$ the the diameter of $U$, namely $d_{U}:=\sup_{x_{1},\,x_{2}\in U}{|}x_{1}-x_{2}{|},$ and $B_{d_{U}}(x)=\\{x\in\mathbb{R}^{n};\left|x\right|<d_{U}\\},$ a straightforward calculation provides $\begin{array}[]{lcl}\displaystyle\int_{U}G(x,y)dy&\leq&\dfrac{1}{n\alpha_{n}(n-2)}\displaystyle\int_{B_{d_{U}}(x)}\dfrac{1}{|x-y|^{n-2}}dy\vspace{0.2cm}\\\ &=&\dfrac{1}{n\alpha_{n}(n-2)}\dfrac{n\alpha_{n}d_{U}^{2}}{2}=\dfrac{d_{U}^{2}}{2(n-2)},\end{array}$ (3.1) for all $x\in U$. From now on we write only $l_{0}=l_{0}(n,U)$ to denote the following quantity $l_{0}:=\dfrac{d_{U}^{2}}{2(n-2)}.$ (3.2) Inequality (3.1) implies that is well defined the map $H:L^{\infty}(U)\rightarrow L^{\infty}(U)$ given by $H(\varphi)(x):=\int_{U}G(x,y)\varphi(y)dy,\leavevmode\nobreak\ \leavevmode\nobreak\ \leavevmode\nobreak\ x\in U.$ More specifically, for any $\varphi\in L^{\infty}(U)$, there holds $|H(\varphi)(x)|\leq\int_{U}G(x,y)|\varphi(y)|dy\leq\|\varphi\|_{\infty}\int_{U}G(x,y)dy$ and therefore $\|H(\varphi)\|_{\infty}\leq l_{0}\|\varphi\|_{\infty}.$ (3.3) Standard calculations show that the problem (1.2) is formally equivalent to the integral equation $u(x)=H(g)+H(V_{\omega}u)+H(bu|u|^{p-1}).$ (3.4) In what follows we make suitable estimates on the terms of the integral equation in order to be able to apply a fixed point argument. We first set $\mathcal{X}:=L^{\infty}(U)$ and define, for any fixed $\omega\in\Omega$, the linear function $T:\mathcal{X}\rightarrow\mathcal{X}$ by $T(u):=H(V_{\omega}u),\leavevmode\nobreak\ \leavevmode\nobreak\ \leavevmode\nobreak\ \forall\,u\in\mathcal{X}.$ It follows from (3.3) and (2.1) that, for any $u\in\mathcal{X}$, there holds $\|T(u)\|_{\infty}\leq l_{0}\|V_{\omega}u\|_{\infty}\leq l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\text{ }\|u\|_{\infty},$ (3.5) and therefore $\|T\|_{\infty}\leq l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}.$ For the nonlinear term we define $B:\mathcal{X}\rightarrow\mathcal{X}$ by setting $B(u):=H(b|u|^{p-1}u),\leavevmode\nobreak\ \leavevmode\nobreak\ \leavevmode\nobreak\ \forall\,u\in\mathcal{X}.$ If $a_{1},\,a_{2}\in\mathbb{R}$ there holds $\left|a_{1}|a_{1}|^{p-1}-a_{2}|a_{2}|^{p-1}\right|\leq p|a_{1}-a_{2}|\left(|a_{1}|^{p-1}-|a_{2}|^{p-1}\right),$ and therefore it follows that $\|b(\cdot)\left(u|u|^{p-1}-\tilde{u}|\tilde{u}|^{p-1}\right)\|_{\infty}\leq\|b\|_{\infty}\|u-\tilde{u}\|_{\infty}\left(\|u\|_{\infty}^{p-1}-\|\tilde{u}\|_{\infty}^{p-1}\right).$ This inequality and the same argument used in (3.5) imply that $\|B(u)-B(\tilde{u})\|_{\infty}\leq l_{0}p\|b\|_{\infty}\|u-\tilde{u}\|_{\infty}\left(\|u\|_{\infty}^{p-1}-\|\tilde{u}\|_{\infty}^{p-1}\right),$ (3.6) for any $u,\,\tilde{u}\in L^{\infty}(U)$. All together, the above estimates enable us to solve the random equation (1.2) as follows. ###### Proposition 3.1. Given $f,\,b,g\in L^{\infty}(U)$ and $\omega\in\Omega$, we consider the potential $V_{\omega}$ induced by the random measure $\mu_{\omega}:=X(\omega)$. Let $l_{0}$ be the quantity introduced in (3.2) and set $\tau_{\omega}:=l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\text{ \ \ and}\leavevmode\nobreak\ \leavevmode\nobreak\ K:=l_{0}p\|b\|_{\infty}.$ (3.7) If $\varepsilon>0$ and $\omega\in\Omega$ are such that $0\leq\tau_{\omega}<1,\leavevmode\nobreak\ \leavevmode\nobreak\ \leavevmode\nobreak\ \leavevmode\nobreak\ \leavevmode\nobreak\ \frac{2^{p}K\varepsilon^{p-1}}{(1-\tau_{\omega})^{p-1}}+\tau_{\omega}<1,$ (3.8) and $\|g\|_{\infty}\leq\varepsilon/l_{0}$, then the equation (1.2) has a unique integral solution $u_{\omega}=u(\cdot,\omega)\in L^{\infty}(U)\text{ such that }\|u_{\omega}\|_{\infty}\leq\frac{2\varepsilon}{1-\tau_{\omega}}.$ (3.9) Proof. For each $\omega\in\Omega,$ we consider the closed ball $\mathcal{B}_{\varepsilon}=\left\\{u\in L^{\infty}(U);\|u\|_{\infty}\leq\frac{2\varepsilon}{(1-\tau_{\omega})}\right\\}$ endowed with the metric $d(u,v):=\|u-v\|_{\infty}.$ We are going to show that the map $\Phi(u):=H(g)+H(V_{\omega}u)+H(bu\left|u\right|^{p-1})=H(g)+T(u)+B(u)$ (3.10) is a contraction on the complete metric space $(\mathcal{B}_{\varepsilon},d).$ Using the estimates (3.3), (3.5), and (3.6) with $\tilde{u}=0,$ we obtain $\displaystyle\left\|\Phi(u)\right\|_{\infty}$ $\displaystyle\leq\|H(g)\|_{\infty}+\|T(u)\|_{\infty}+\|B(u)\|_{\infty}$ $\displaystyle\leq l_{0}\left\|g\right\|_{\infty}+\tau_{\omega}\|u\|_{\infty}+K\|u\|_{\infty}^{p}$ $\displaystyle\leq\varepsilon+\tau_{\omega}\frac{2\varepsilon}{1-\tau_{\omega}}+\frac{2^{p}K\varepsilon^{p}}{(1-\tau_{\omega})^{p}}$ $\displaystyle=\left(1+\tau_{\omega}+\frac{2^{p}K\varepsilon^{p-1}}{(1-\tau_{\omega})^{p-1}}\right)\frac{\varepsilon}{1-\tau_{\omega}}$ for all $u\in\mathcal{B}_{\varepsilon}$ and $\omega\in\Omega$. Hence, it follows from (3.8) that $\left\|\Phi(u)\right\|_{\infty}\leq\frac{2\varepsilon}{1-\tau_{\omega}}.$ This shows that $\Phi$ maps $\mathcal{B}_{\varepsilon}$ into $\mathcal{B}_{\varepsilon}$. For any $u,\widetilde{u}\in\mathcal{B}_{\varepsilon},$ it follows from (3.5) and (3.6) that $\displaystyle\|\Phi(u)-\Phi(\widetilde{u})\|_{\infty}$ $\displaystyle=\|T(u-\widetilde{u})\|_{\infty}+\|B(u)-B(\widetilde{u})\|_{\infty}$ $\displaystyle\leq\tau_{\omega}\|u-\widetilde{u}\|_{\infty}+K\|u-\widetilde{u}\|_{\infty}\left(\|u\|_{\infty}^{p-1}+\|\widetilde{u}\|_{\infty}^{p-1}\right)$ $\displaystyle\leq\left(\tau_{\omega}+\frac{2^{p}K\varepsilon^{p-1}}{(1-\tau_{\omega})^{p-1}}\right)\|u-\widetilde{u}\|_{\infty}.$ Recalling (3.8), the above estimate implies that the map $\Phi$ is a contraction. The Banach fixed point theorem assures that there is a unique solution $u$ for the integral equation (3.4) such that $\|u\|_{\infty}\leq(2\varepsilon)/(1-\tau_{\omega}).$ The next results are related to the randomness introduced by the random potential $V$ and the existence and uniqueness of solutions for the problem (1.2). Roughly speaking, we first obtain the probability of (1.2) having a solution given by the method discussed above. In the sequel we study two important limit theorems in probability theory, namely, the central limit theorem and the law of large numbers for a sequence of random potentials. ###### Theorem 3.2. Let $\nu$ be the probability measure induced on $\mathbb{R}$ by the random variable $\omega\mapsto\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\,.$ Let $g\in L^{\infty}(U)$ be such that $\left\|g\right\|_{\infty}<\frac{1}{l_{0}}(\frac{1}{2^{p}K})^{\frac{1}{p-1}}$, where $K=l_{0}p\|b\|_{\infty}$. Choose $0<c_{0}<1$and set $\varepsilon_{0}:=\left(\frac{(1-c_{0})^{p}}{2^{p}K}\right)^{\frac{1}{p-1}}.$ Let $\mathcal{A}$ be the set of $\omega\in\Omega$ such that (1.2) has a unique solution $u(\cdot,\omega)$ given by Proposition 3.1 with $\varepsilon=\varepsilon_{0}$. The set $\mathcal{A}$ is called the admissible one for the random variable $X.$ * (i) The set $\mathcal{A}$ is $\mathcal{F}$-measurable and the probability of (1.2) having a solution is $\mathbb{P(\mathcal{A})}=\nu\left(\left[0,\frac{1}{l_{0}\|f\|_{\infty}}\right)\right).$ * (ii) Let $u_{\omega},\,\tilde{u}_{\omega}$ be two solutions of (1.2) corresponding, respectively, to $\mu_{\omega},g,\mathcal{A}$ and $\tilde{\mu}_{\omega},\tilde{g},\widetilde{\mathcal{A}}$. Assume that $\mathcal{A\cap}\widetilde{\mathcal{A}}\neq\varnothing$ and define, for $\omega\in\mathcal{A\cap}\widetilde{\mathcal{A}}$, $\eta_{\omega}:=l_{0}\|f\|_{\infty}\max\\{\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt},\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\widetilde{\mu}_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\\}.$ We have that $\|u(\cdot,\omega)-\tilde{u}(\cdot,\omega)\|_{\infty}\leq\frac{l_{0}\left(\|g-\tilde{g}\|_{\infty}+\dfrac{2\varepsilon_{0}}{1-\eta_{\omega}}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}-\tilde{\mu}_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\right)}{1-\eta_{\omega}-\dfrac{2^{p}K\varepsilon_{0}^{p-1}}{(1-\eta_{\omega})^{p-1}}}$ (3.11) for all $\omega\in\mathcal{A\cap}\widetilde{\mathcal{A}}$. * (iii) The map $\ \mathcal{U}:\mathcal{A}\rightarrow L^{\infty}(U)$ given by $\mathcal{U}(\omega):=u(\cdot,\omega)$ is a random variable and there holds $\|u(\cdot,\omega)\|_{\infty}\leq\frac{2\varepsilon_{0}}{1-\tau_{\omega}}=2\varepsilon_{0}\sum_{j=0}^{\infty}\tau_{\omega}^{j},$ (3.12) for all $\omega\in\mathcal{A}.$ Proof. We first notice that the choice of $\varepsilon_{0}$ implies that $\|g\|_{\infty}\leq\varepsilon_{0}/l_{0}.$ Moreover, $\omega\in\mathcal{A}$ if only if $\tau_{\omega}=l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}$ verifies (3.8) with $\varepsilon=\varepsilon_{0}.$ Then, if $Y(\omega)=\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,X(\omega)\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,=\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt},$ it follows that $\mathcal{A}=\left\\{Y\in\left[0,\frac{1}{l_{0}\|f\|_{\infty}}\right)\right\\}$ is measurable and $\begin{array}[]{lcl}\mathbb{P}(\mathcal{A})&=&\mathbb{P}\left(Y\in\left[0,\dfrac{1}{l_{0}\|f\|_{\infty}}\right)\right)=\mathbb{P}_{Y}\left(\left[0,\dfrac{1}{l_{0}\|f\|_{\infty}}\right)\right)\vspace{0.2cm}\\\ &=&\nu\left(\left[0,\dfrac{1}{l_{0}\|f\|_{\infty}}\right)\right).\end{array}$ This establishes (i). Now we deal with item (ii). Firstly, observe that $\eta_{\omega}=\max\\{\tau_{\omega},\widetilde{\tau}_{\omega}\\},$ where $\tau_{\omega}=l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\text{ and }\widetilde{\tau}_{\omega}=l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\tilde{\mu}_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}.$ Subtracting the integral equations verified by $u_{\omega}$ and $\,\tilde{u}_{\omega},$ and afterwards computing $\|\cdot\|_{\infty}$, we obtain $\begin{array}[]{lcl}\left\|u_{\omega}-\tilde{u}_{\omega}\right\|_{\infty}&\leq&\left\|H(g-\tilde{g})\right\|_{\infty}+\left\|H(V_{\omega}(u-\tilde{u}_{\omega}))\right\|_{\infty}\vspace{0.2cm}\\\ &&+\|H((V_{\omega}-\widetilde{V}_{\omega})\tilde{u}_{\omega})\|_{\infty}\vspace{0.2cm}\\\ &&+\left\|H(b\left(u_{\omega}|u_{\omega}|^{p-1}-\tilde{u}_{\omega}|\tilde{u}_{\omega}|^{p-1}\right))\right\|_{\infty}\vspace{0.2cm}\\\ &\leq&l_{0}\|g-\tilde{g}\|_{\infty}+l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\|u_{\omega}-\tilde{u}_{\omega}\|_{\infty}\vspace{0.2cm}\\\ &&+l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}-\tilde{\mu}_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\|\tilde{u}_{\omega}\|_{\infty}\vspace{0.2cm}\\\ &&+l_{0}p\|b\|_{\infty}\|u_{\omega}-\tilde{u}_{\omega}\|_{\infty}(\|u_{\omega}\|_{\infty}^{p-1}-\|\tilde{u}_{\omega}\|_{\infty}^{p-1}).\end{array}$ It follows from (3.9) that $\|u_{\omega}\|_{\infty}\leq\frac{2\varepsilon_{0}}{1-\tau_{\omega}}\leq\frac{2\varepsilon_{0}}{1-\eta_{\omega}}\text{ and }\|\tilde{u}\|_{\infty}\leq\frac{2\varepsilon_{0}}{1-\widetilde{\tau}_{\omega}}\leq\frac{2\varepsilon_{0}}{1-\eta_{\omega}}.$ The two above expressions give us $\displaystyle\left\|u_{\omega}-\tilde{u}_{\omega}\right\|_{\infty}$ $\displaystyle\leq$ $\displaystyle l_{0}\|g-\tilde{g}\|_{\infty}+l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\left\|u_{\omega}-\tilde{u}_{\omega}\right\|_{\infty}$ $\displaystyle+\,l_{0}\frac{2\varepsilon_{0}}{1-\eta_{\omega}}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}-\tilde{\mu}_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}+\frac{2^{p}K\varepsilon_{0}^{p-1}}{(1-\eta_{\omega})^{p-1}}\|u_{\omega}-\tilde{u}_{\omega}\|_{\infty}$ $\displaystyle=$ $\displaystyle l_{0}\|g-\tilde{g}\|_{\infty}+l_{0}\frac{2\varepsilon_{0}}{1-\eta_{\omega}}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}-\tilde{\mu}_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}$ $\displaystyle+\,\left[\eta_{\omega}+\frac{2^{p}K\varepsilon_{0}^{p-1}}{(1-\eta_{\omega})^{p-1}}\right]\left\|u_{\omega}-\tilde{u}_{\omega}\right\|_{\infty},$ which yields (3.11). Taking $\mu_{\omega},\tilde{\mu}_{\omega}$ independent of $\omega,$ i.e. $\mu_{\omega}=\mu$ and $\tilde{\mu}_{\omega}=\tilde{\mu},$ for all $\omega\in\Omega,$ we see from (3.7) and (3.11) that the data-map solution $\mathcal{L}(\mu,g)=u$ is continuous from $\left\\{(\mu,g)\in\mathcal{M}(U)\times L^{\infty}(U);\text{ }\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}<\frac{1}{l_{0}\|f\|_{\infty}},\left\|g\right\|_{\infty}<\frac{1}{l_{0}}\left(\frac{1}{2^{p}K}\right)^{\frac{1}{p-1}}\right\\}\text{to }L^{\infty}(U),$ (3.13) where $u$ is the deterministic solution of (1.2) corresponding to the data $(\mu,g).$ From this, and because $X|_{\mathcal{A}}$ given by $X(\omega)=\mu_{\omega}$ is measurable, it follows that the composition $\mathcal{U}(\omega)=\mathcal{L}(\mu_{\omega},g)=\mathcal{L}(X(\omega),g)\,$ from $\mathcal{A}$ to $L^{\infty}(U)$ is measurable. In view of the series $\frac{1}{1-z}=\sum_{j=0}^{\infty}z^{j}$ for $\left|z\right|<1,$ we finish by observing that (3.12) follows at once from (3.9) with $\varepsilon=\varepsilon_{0}$ and $\omega\in\mathcal{A}.$ ###### Remark 3.3. Here we give examples of random potentials for which there exists solution almost surely in $\Omega$. The first setting occurs if we suppose that the measure $\nu$ has compact support contained in the interval $[0,a]$, with $a<\frac{1}{l_{0}\|f\|_{\infty}}$. In this case it follows from the first item of the above theorem that $\mathbb{P(\mathcal{A})}=1$, i.e., the solution exists almost surely in $\Omega.$ Secondly, we take $\\{\mu_{j}\\}_{j\in\mathbb{N}}$ a sequence in $\mathcal{M}(U)$ and let $\\{a_{j}(\omega)\\}_{j\in\mathbb{N}}$ be a sequence of random variables from $\Omega$ to $\mathbb{R}.$ Consider the random variable $\mu_{\omega}$ defined by $\mu_{\omega}=\sum_{j=1}^{\infty}a_{j}(\omega)\mu_{j}.$ For $q>1,$ suppose that $|a_{j}(\omega)|<\frac{(\sum_{k=1}^{\infty}\frac{1}{k^{q}})^{-1}}{l_{0}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{j}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\|f\|_{\infty}}\cdot\frac{1}{j^{q}}\text{ a.s. in }\Omega,$ for all $j\in\mathbb{N}.$ Then $\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\leq\sum_{j=1}^{\infty}|a_{j}(\omega)|\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{j}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,<\frac{1}{l_{0}\|f\|_{\infty}}\text{ a.s. in }\Omega,$ and Theorem 3.2 assures that there is an integral solution for (1.2) a.s. in $\Omega.$ In the sequel we show how the Borel-Cantelli’s Lemma can be used to give a sufficient condition for the existence of solution a.s. in $\Omega$. ###### Theorem 3.4. Let $\\{\mu_{j}\\}_{j\in\mathbb{N}}$ be a sequence in $\mathcal{M}(U)$ and let $\\{a_{j}(\omega)\\}_{j\in\mathbb{N}}$ be a sequence of random variables from $\Omega$ to $\mathbb{R}.$ Assume that the following series is convergent in $\mathcal{M}(U)$ $\mu_{\omega}=\sum_{j=1}^{\infty}a_{j}(\omega)\mu_{j}.$ For any $k\in\mathbb{N}$ define $S_{k}(\omega)=\sum_{j=1}^{k}a_{j}(\omega)\mu_{j}$ and $L_{k}=\\{\omega\in\Omega:\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,S_{k}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\geq\tilde{c}\\}$, with $0<\tilde{c}<1/(l_{0}\|f\|_{\infty})$. If $\sum_{k=1}^{\infty}\mathbb{P}(L_{k})<\infty$ then there is an integral solution for (1.2) almost surely in $\Omega$. Proof. By the Borel-Cantelli’s Lemma we get that $\mathbb{P}(\limsup L_{k})=0$, that is, $\mathbb{P}\left(\cup_{j=1}^{\infty}\cap_{k=j}^{\infty}\\{\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,S_{k}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}<\tilde{c}\\}\right)=1$ It follows that, for almost sure $\omega,$ there is $j_{0}=$ $j_{0}(\omega)$ such that for all $j>j_{0}$, we have $\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,S_{k}(\omega)\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}<\tilde{c}.$ Therefore by taking the limit when $k$ goes to infinity, we obtain $\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}=\lim_{j\rightarrow\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,S_{j}(\omega)\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\leq\tilde{c}<\frac{1}{l_{0}\|f\|_{\infty}}\quad\mbox{a.s. in }\Omega.$ This inequality and Theorem 3.2 imply that there is an integral solution $u(x,\omega)$ for (1.2) almost surely in $\Omega$. A straightforward calculation shows that in general $\mathbb{E}_{\Omega}(u(x,\omega))$ does not satisfies the equation (1.2), even if we replace the random potential by its mean. However, we are able to obtain some information on the average and moments of the random solution $u_{\omega}$ previously obtained. It is worthwhile to mention that, when dealing with the random variable $\omega\mapsto u_{\omega}$, the expectation has to be understood in the Bochner sense (see Section 2). Note also that a solution $u_{\omega}\in L^{\infty}(U)$ for (3.4) in fact belongs to the separable subspace $C(\overline{U}).$ ###### Theorem 3.5. Under hypotheses of Theorem 3.2 let us denote by $u_{\omega}(x)=u(x,\omega)\in\mathcal{A}$ the solution of (1.2). Let $m\in\mathbb{N}$ and suppose that $\sum_{j=1}^{\infty}\frac{(m+j-1)!}{(m-1)!j!}(l_{0}\|f\|_{\infty})^{j}\ \mathbb{E}_{\mathcal{A}}[\ \rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}^{\,j}\,]<+\infty.$ (3.14) Then $\mathbb{E}_{\mathcal{A}}[|u|^{m}(x,\omega)]\in L^{\infty}(U)$ and $\mathbb{E}_{\mathcal{A}}\left[\left\||u|^{m}(\cdot,\omega)\right\|_{L^{\infty}(U)}\right]<\infty.$ (3.15) In particular, $\mathbb{E}_{\mathcal{A}}[u(x,\omega)]\in L^{\infty}(U).$ Proof. It follows from (3.12) that $\||u|^{m}(\cdot,\omega)\|_{L^{\infty}(U)}\leq\|u(\cdot,\omega)\|_{L^{\infty}(U)}^{m}\leq\frac{(2\varepsilon_{0})^{m}}{(1-\tau_{\omega})^{m}}.$ (3.16) Recalling that $\tau_{\omega}=l_{0}\|f\|_{\infty}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}$ and computing $\mathbb{E}_{\mathcal{A}}$ in (3.16), we obtain $\displaystyle\left\|\mathbb{E}_{\mathcal{A}}\left[|u|^{m}(x,\omega)\right]\right\|_{L^{\infty}(U)}$ $\displaystyle\leq$ $\displaystyle\mathbb{E}_{\mathcal{A}}\left[\left\||u|^{m}(x,\omega)\right\|_{L^{\infty}(U)}\right]$ $\displaystyle\leq$ $\displaystyle(2\varepsilon_{0})^{m}\mathbb{E}_{\mathcal{A}}\left[\left(1+\sum_{j=1}^{\infty}\frac{(m+j-1)!}{(m-1)!j!}\tau_{\omega}^{j}\right)\right]$ By using the linearity of the expectation and definition of $\tau_{\omega}$ we get the following upper bound for the right hand side above $(2\varepsilon_{0})^{m}+(2\varepsilon_{0})^{m}\sum_{j=1}^{\infty}\frac{(m+j-1)!}{(m-1)!j!}\left(l_{0}\|f\|_{\infty}\right)^{j}\mathbb{E}_{\mathcal{A}}\left[\ \rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}^{\,j}\ \right],$ which is finite due to (3.14). The last assertion of the statement follows from (3.15) with $m=1$ and the easy estimate $\left\|\mathbb{E}_{\mathcal{A}}\left[u(x,\omega)\right]\right\|_{L^{\infty}(U)}\leq\mathbb{E}_{\mathcal{A}}\left[\left\||u|(x,\omega)\right\|_{L^{\infty}(U)}\right].$ ### 3.1 Classical Probability Limit Theorems We start this section by recalling basic background concerning to some main limit theorems in probability. A real-valued random variable $X:\Omega\to\mathbb{R}$ in a probability space $(\Omega,\mathcal{F},\mathbb{P})$ has standard normal distribution, notation $X\sim N(0,1)$, if for all $x\in\mathbb{R}$ its cumulative distribution function verifies $\mathbb{P}(X\leq x)=\frac{1}{\sqrt{2\pi}}\int_{-\infty}^{x}e^{-\frac{1}{2}t^{2}}dt.$ A sequence of real-valued random variable $\\{Y_{j}\\}_{j\in\mathbb{N}}$ in a probability space $(\Omega,\mathcal{F},\mathbb{P})$ is said to converge in distribution to a standard normal random variable, notation $Y_{j}\to N(0,1)$, if for all $x\in\mathbb{R}$ we have $\lim_{j\to\infty}\mathbb{P}(Y_{j}\leq x)=\frac{1}{\sqrt{2\pi}}\int_{-\infty}^{x}e^{-\frac{1}{2}t^{2}}dt.$ In the sequel we show versions of the central limit theorem and a weak law of large numbers for the random $L^{\infty}(U)$-solutions obtained in Section 2. ###### Theorem 3.6. Let $\\{X_{j}\\}_{j\in\mathbb{N}}$ be an independent identically distributed (i.i.d.) sequence of random variables $X_{j}:\Omega\rightarrow\mathcal{M}(U)$. Assume that the admissible set $\mathcal{A}_{j}=\Omega$ for all $j$, and let $u_{j}(\cdot,\omega)\in L^{\infty}(U)$ be the solution given by Theorem 3.2 with respect to $X_{j}(\omega)=\mu_{\omega,j}$ and $g.$ We have that $\\{Z_{j}\\}_{j\in\mathbb{N}}$ given by $Z_{j}(\omega):=\|u_{j}(\cdot,\omega)\|_{\infty}$ is a i.i.d. sequence of random variables, and if $m=\mathbb{E}[\|u_{j}(\cdot,\omega)\|_{\infty}]<\infty$ and $\sigma^{2}:=\text{Var}\,Z_{j}<\infty$ then following holds as $k\rightarrow+\infty$ $\sum_{j=1}^{k}\frac{(Z_{j}-m)}{\sigma\sqrt{k}}\rightarrow N(0,1).$ Proof. Recall the data-solution map $\mathcal{L}(\mu,g)$ defined in the proof of Theorem 3.2 (see (3.13)). Fixed $g$ such that $\left\|g\right\|_{\infty}<\frac{1}{l_{0}}(\frac{1}{2^{p}K})^{\frac{1}{p-1}},$ consider $S_{g}(\mu)=\mathcal{L}(\mu,g)$ (3.17) defined from $D$ to $L^{\infty}(U),$ where $D=\left\\{\mu\in\mathcal{M}(U):\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}<\frac{1}{l_{0}\|f\|_{\infty}}\right\\}.$ Since $\|\cdot\|_{\infty}$ is continuous from $L^{\infty}(U)$ to $\mathbb{R}$ and $Z_{j}(\omega)=\|u_{j}(\cdot,\omega)\|_{\infty}=\|S_{g}\circ X_{j}(\omega)\|_{\infty},$ we get that $\\{Z_{j}\\}_{j\in\mathbb{N}}$ is a i.i.d. sequence. The convergence stated in the theorem follows from the central limit theorem. ###### Theorem 3.7. Let $\\{X_{j}\\}_{j\in\mathbb{N}}$ be an independent sequence of random variables $X_{j}:\Omega\rightarrow\mathcal{M}(U)$. Assume that the admissible set $\mathcal{A}_{j}=\Omega$ for all $j$, and let $u_{j}(\cdot,\omega)\in L^{\infty}(U)$ be the solution given by Theorem 3.2 with respect to $X_{j}(\omega)=\mu_{\omega,j}$ and $g.$ If $X_{j}\rightarrow X$ a.s. and $L=\sup_{j\in\mathbb{N}}\left(\mathrm{ess}\sup_{\omega\in\Omega}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega,j}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt}\right)<\frac{1}{l_{0}\|f\|_{\infty}},$ (3.18) then $\sum_{j=1}^{k}\frac{u_{j}(x,\omega)-\mathbb{E}_{\Omega}[u_{j}(x,\omega)]}{k}\rightarrow 0$ (3.19) and $\sum_{j=1}^{k}\frac{\|u_{j}(\cdot,\omega)\|_{\infty}-\mathbb{E}_{\Omega}[\|u_{j}(\cdot,\omega)\|_{\infty}]}{k}\rightarrow 0,$ (3.20) when $k\rightarrow\infty$, where the convergence in (3.19) and (3.20) are in probability sense (see (2.2)). Proof. Notice that $X_{j}\rightarrow X$ a.s. is equivalent to $\mu_{\omega,j}\rightarrow\mu_{\omega}=X(\omega)$ in $\mathcal{M}(U)$ almost surely. From this and the continuity of data-solution map $\mathcal{L}(\cdot,\cdot)$ (see (3.13)), it follows that $\|u_{j}(\cdot,\omega)-u(\cdot,\omega)\|_{\infty}=\|\mathcal{L}(\mu_{\omega,j},g)-\mathcal{L}(\mu,g)\|_{\infty}\rightarrow 0,$ when $j\rightarrow\infty$. Recalling (3.12) and afterwards using (3.18), we obtain $\displaystyle\|u_{j}(\cdot,\omega)\|_{\infty}$ $\displaystyle\leq$ $\displaystyle\frac{2\varepsilon_{0}}{1-l_{0}\|f\|_{\infty}(\mathrm{ess}\sup_{\omega\in\Omega}\rule[-2.27621pt]{1.13809pt}{9.6739pt}\,\mu_{\omega},_{j}\,\rule[-2.27621pt]{1.13809pt}{9.6739pt})}$ (3.21) $\displaystyle\leq$ $\displaystyle\frac{2\varepsilon_{0}}{1-L}=Q_{0},\text{ a.s. in }\Omega.$ Since $X_{j}$’s are independent, it follows that $\\{Y_{j}\\}_{j\in\mathbb{N}}$ defined by $Y_{j}=\left\|u_{j}(\cdot,\omega)\right\|_{\infty}=\|S_{g}\circ X_{j}(\omega)\|_{\infty}$ are also independent, where $S_{g}$ is as in (3.17). So, from Chebyshev’s inequality and the independence of $\\{Y_{j}\\}_{j\in\mathbb{N}}$, we have that $\displaystyle\mathbb{P}\left(\left|k^{-1}\sum_{j=1}^{k}(\|u_{j}(\cdot,\omega)\|_{\infty}-\mathbb{E}_{\Omega}[\|u_{j}(\cdot,\omega)\|_{\infty}])\right|\geq\delta\right)$ $\displaystyle\leq$ $\displaystyle\frac{1}{(k\delta)^{2}}\mathbb{E}_{\Omega}\left[\left|\sum_{j=1}^{k}\left(\|u_{j}(\cdot,\omega)\|_{\infty}-\mathbb{E}_{\Omega}[\|u_{j}(\cdot,\omega)\|_{\infty}]\text{ }\right)\right|^{2}\right]$ $\displaystyle=$ $\displaystyle\frac{1}{(k\delta)^{2}}\sum_{j=1}^{k}\mathbb{E}_{\Omega}\left[\left|\left(\|u_{j}(\cdot,\omega)\|_{\infty}-\mathbb{E}_{\Omega}[\|u_{j}(\cdot,\omega)\|_{\infty}]\text{ }\right)\right|^{2}\right]$ $\displaystyle\leq$ $\displaystyle\frac{1}{(k\delta)^{2}}\sum_{j=1}^{k}\mathbb{E}_{\Omega}\left[\left|2Q_{0}\right|^{2}\right]\leq\frac{4Q_{0}^{2}}{\delta^{2}}\frac{1}{k},$ where we have used (3.21). Letting $k\rightarrow+\infty$ in the above expression we get (3.20). The convergence (3.19) can be proved with similar arguments. ## Acknowledgments L.C.F. Ferreira was supported by FAPESP-SP and CNPq, Brazil. M. Furtado was supported by CNPq, Brazil. ## References * [1] A. Ambrosetti, A. Malchiodi and S. Secchi, _Multiplicity results for some nonlinear Schrödinger equations with potentials_ , Arch. Rational Mech. Anal. 159 (2001), 253–271. * [2] A. Ambrosetti, M. Badiale and S. Cingolani, _Semiclassical states of nonlinear Schrödinger equations_ , Arch. Rational Mech. Anal. 140 (1997), 285-300. * [3] G. Bal, T. Komorowski and L. Ryzhik: Asymptotic of the Solutions of the Random Schrödinger Equation. Arch. Rational Mech. Anal. 200, 613-664 (2011). * [4] J. Bourgain: Nonlinear Schrödinger Equation With a Random Potential. Illinois J. math. 50, 183-188 (2006). * [5] J. Bourgain and C. Kenig: On localization in the continuous Anderson-Bernoulli model in higher dimension. Invent. math. 161, 389-426 (2005). * [6] J. Bourgain and W.-M. Wang: Quasi-periodic solutions of nonlinear random Schrödinger equations. J. Eur. Math Soc. 10, 1-45 (2008). * [7] R. Carmona, J. Lacroix, Spectral theory of random Schrödinger operators. Probability and its Applications. Birkhäuser Boston, Inc., Boston, MA, 1990. * [8] J.-M. Combes and P.D. Hislop: Localization for Some Continuous, Random Hamiltonians in $d$-dimensions. J. Funct. Anal. 124, 149-180 (1994). * [9] J. G. Conlon and A. Naddaf: Green’s Functions for Elliptic and Parabolic Equations with Random Coefficients. New York J. Math. 6, 153-225 (2000). * [10] D. A. Dawson and M. Kouritzin: Invariance Principles for Parabolic Equations with Random Coefficients. J. Funct. Anal. 149, 377-414 (1997). * [11] M. Del Pino and P. Felmer, _Local Mountain Pass for semilinear elliptic problems in unbounded domains_ , Calc. Var. Partial Differential Equations 4 (1996), 121–137. * [12] A. Fannjiang: Self-Averaging Scaling Limits for Random Parabolic Waves. Arch. Rational Mech. Anal. 175, 343-387 (2008). * [13] L.C.F. Ferreira and M. Montenegro: Existence and asymptotic behavior for elliptic equations with singular anisotropic potentials. J. Differential Equations 250, 2045-2063 (2011). * [14] L.C.F. Ferreira, E.S. Medeiros and M. Montenegro: A class of elliptic equations in anisotropic spaces, to appear in Annali di Matematica Pura ed Applicata doi:10.1007/s10231-011-0236-8 (2012). * [15] F. Germinet, A. Klein and J. Schenker: Dynamical delocalization in random Landau Hamiltonians. Ann. of Math. 166, 215-244 (2007). * [16] E. Hille and R.S. Phillips: Functional Analysis and Semigroups. Amer. Math Soc. Colloquium Publ. 31 Amer. Math. Soc., Providence, Rhode (1957). * [17] W. Kirsch: An invitation to random Schrödinger operators. In Random Schrödinger operators, volume 25 of Panor. Synthèses, Soc. Math. France, Paris, 1-119 (2008). * [18] K.R. Parthasarathy: Probability Measures on Metric Spaces. Academic Press (1967). * [19] P.H. Rabinowitz, _On a class of nonlinear Schrödinger equations_ , Z. Angew Math. Phys. 43 (1992), 270-291. * [20] O. Safronov: Absolutely continuous spectrum of one random elliptic operator. J. Funct. Anal. 255, 755-767 (2008).
arxiv-papers
2013-04-09T02:32:15
2024-09-04T02:49:43.997347
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Leandro Cioletti, Lucas C. F. Ferreira and Marcelo Furtado", "submitter": "Leandro Cioletti", "url": "https://arxiv.org/abs/1304.2449" }
1304.2451
# Multihomogeneous Normed Algebras and Polynomial Identities Leandro Cioletti José Antônio Freitas Departamento de Matemática, Universidade de Brasília, 70910-900 Brasília, DF, Brazil Dimas José Gonçalves Departamento de Matemática, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil [email protected]@mat.unb.br; Partially supported by grant from CNPq No. 478318/2010-3 [email protected]; Partially supported by grant from CNPq No. 478318/2010-3 ###### Abstract In this paper we consider PI-algebras $A$ over $\mathbb{R}$ or $\mathbb{C}$. It is well known that in general such algebras are not normed algebras. In fact, there is a nilpontent commutative algebra which is not a normed algebra, see [1]. Here we address the question of whether it is possible to find a normed PI-algebra $B$ with the same polynomial identities as $A$, and moreover, whether there is some Banach PI-algebra with this property. Our main theorem provides an affirmative answer for this question and moreover we also show the existence of a Banach Algebra with the same polynomial identities as $A$. As a byproduct we prove that if $A$ is a normed PI-algebra and its completion is nil, then $A$ is nilpotent. By introducing the concept of multihomogeneous norm we obtain as an application of our main results that if $F\langle X\rangle$ is multihomogeneus normed algebra and $A$ is a PI-algebra such that the completion of the quotient space $F\langle X\rangle/Id(A)$ is nil, then $A$ is nilpotent. Both applications are extensions of the study initiated in [4]. Key words: PI-Algebras, Normed Algebras, Banach Algebras. 2010 Mathematics Subject Classification: 16R10, 16R40, 46H10. ## 1 Introduction We begin this article by stating precisely some of our main results and then we proceed to introduce the concept of multihomogeneous norm. In order to be concise and objective, we will skip the precise definition of some of the basic concepts needed here, such as PI-algebra and Normed algebra. These, together with other additional background concepts, will appear in detail in Section 2. The proofs of the results stated here are found in the last section. Let $F$ be the field $\mathbb{R}$ or $\mathbb{C}$ and $F\langle X\rangle$ the free non-unitary associative algebra, freely generated over $F$ by the infinite set $X=\\{x_{1},x_{2},\ldots\\}$. All the algebras considered in this paper will be non-unitary, associative and over the field $F$. Thus for convenience we will only use the term algebra. A good example to keep in mind is the algebra $F\langle X\rangle$. For a normed algebra $A$ we write $C(A)$ to denote its completion. If $A$ is a PI-algebra then we denote by $Id(A)$ the set of all polynomial identities of $A$. The statement of our first result is: ###### Proposition 1. If $A$ is a normed PI-algebra, then $Id(A)=Id(C(A))$. In other words this proposition tell us that every normed PI-algebra $A$ has the same polynomial identities that some Banach PI-algebra. Since not all PI- algebras are normed PI-algebras, see for example [1], a natural question to ask is: given a PI-algebra $A$, is there some Banach PI-algebra $B$ with the same polynomial identities of $A$ ? As we said before we give an affirmative answer for this question and we also show how to construct such algebra $B$. To explain the construction we introduce some definitions. Let $f=f(x_{1},\dots,x_{n})\in F\langle X\rangle$ be a polynomial, which will be written as $f=\displaystyle\sum_{d_{1}\geq 0,\dots,d_{n}\geq 0}f^{(d_{1},\dots,d_{n})}\ ,$ where $f^{(d_{1},\dots,d_{n})}=f^{(d_{1},\dots,d_{n})}(x_{1},\dots,x_{n})$ is the multihomogeneous component of $f$ with multidegree $(d_{1},\ldots,d_{n})$. ###### Definition 2. A norm $||\cdot||$ in $F\langle X\rangle$ is called multihomogenous if $||f^{(d_{1},\ldots,d_{n})}||\leq||f||$ for all $f=f(x_{1},\ldots,x_{n})\in F\langle X\rangle$ and all $d=(d_{1},\ldots,d_{n})$. If $F\langle X\rangle$ is a normed algebra with respect to a multihomegeneous norm, then we say that $F\langle X\rangle$ is a MN-algebra. An example of MN-algebras can be obtained as follows. Take $f=\sum_{m}\alpha_{m}m$, where $\alpha_{m}\in F$ and $m$ is a monomial, then $F\langle X\rangle$ with the norm $||f||=\sum_{m}|\alpha_{m}|.$ is a MN-algebra. In the sequel, we prove that if $F\langle X\rangle$ is a MN-algebra and if $A$ is a PI-algebra, then $Id(A)$ is a closed ideal of $F\langle X\rangle$. Thus the multihomogeneous norm in $F\langle X\rangle$ induces a norm in the quotient algebra $F\langle X\rangle/Id(A)$ by $||f+Id(A)||=\mbox{inf}\\{||f+g||\,:\,g\in Id(A)\\},$ where $f\in F\langle X\rangle$. We remark that the quotient $F\langle X\rangle/Id(A)$ is a normed algebra with this norm and using this fact we obtain our second main result: ###### Theorem 3. Let $F\langle X\rangle$ be a MN-algebra. If $A$ is a PI-algebra, then $Id(A)=Id\left(C\left(\frac{F\langle X\rangle}{Id(A)}\right)\right).$ In particular, a PI-algebra has the same polinomial identities that some Banach PI-algebra. As an application, we obtain similar results as in the Grabiner’s paper. In [4] the author proves the following: ###### Theorem 4. Let $A$ be a Banach algebra. If $A$ is nil then $A$ is nilpotent. In the above theorem, the algebra $A$ is required to be a Banach algebra. Here we investigate when the nilpotency of an algebra $A$ can be obtained by hypothesis imposed on $C(A)$. In this direction our first result is ###### Corollary 5. Let $A$ be a normed PI-algebra. If $C(A)$ is nil, then $A$ is nilpotent. Our second result relates the nilpotency of $A$ to the completion of certain quotient space related to the polynomial identities of $A$. To be more precise we prove the following: ###### Corollary 6. Let $F\langle X\rangle$ be a MN-algebra and let $A$ be a PI-algebra. If $C\left(\frac{F\langle X\rangle}{Id(A)}\right)$ is nil, then $A$ is nilpotent. ## 2 Banach and PI-Algebras An algebra $A$ is said to be normed if it satisfies the followings properties: * a) $A$ has a norm $\|\cdot\|$; * b) $\|ab\|\leq\|a\|\|b\|$ for all $a,b\in A$. A normed algebra $A$ is called Banach algebra if $A$ is a complete normed space. It’s well known that every normed algebra $A$ is contained in some Banach algebra $C(A)$ such that $A$ is dense in $C(A)$. This algebra is the completion of $A$. Here we recall its construction: we first define the relation $\sim$ in the set of all Cauchy sequences of $A$ by $(a_{n})_{n}\sim(b_{n})_{n}\Longleftrightarrow\lim_{n\rightarrow\infty}\|a_{n}-b_{n}\|=0.$ Denote by $C(A)$ the set of all equivalence classes. If $(a_{n})_{n}$ is a Cauchy sequence in $A$, we denote by $[(a_{n})_{n}]$ its equivalence class. The algebraic operations in $C(A)$ are defined as usual: $[(a_{n})_{n}]+[(b_{n})_{n}]=[(a_{n}+b_{n})_{n}]$, for any $\lambda\in F$, we put $\lambda[(a_{n})_{n}]=[(\lambda a_{n})_{n}]$ and $[(a_{n})_{n}][(b_{n})_{n}]=[(a_{n}b_{n})_{n}]$. Endowed with these operations and with the norm $\|[(a_{n})_{n}]\|=\lim_{n\rightarrow\infty}\|a_{n}\|$ we have that $C(A)$ is a Banach algebra. Note that an element $a\in A$ is identified with the class $[(a)_{n}]\in C(A)$ of the constant sequence equal to $a$. For more details see [6, 5]. Let $F\langle X\rangle$ be the free non-unitary associative algebra, freely generated over $F$ by the infinite set $X=\\{x_{1},x_{2},\ldots\\}$. The elements of $F\langle X\rangle$ are called polynomials and a polynomial of the kind $x_{i_{1}}x_{i_{1}}\ldots x_{i_{n}}$ is called monomial. A polynomial $f(x_{1},\dots,x_{m})\in F\langle X\rangle$ is called a polynomial identity for an algebra $A$ if $f(a_{1},\dots,a_{m})=0$, for all $a_{1},\ldots,a_{m}\in A$. We denote by $Id(A)$ the set of all polynomial identities of $A$. If $Id(A)\neq\\{0\\}$ then we say that $A$ is a PI-algebra. The set $Id(A)$ is an ideal in $F\langle X\rangle$ and has the property $f(g_{1},\ldots,g_{m})\in Id(A)$ for all $f(x_{1},\ldots,x_{m})\in Id(A)$ and $g_{1},\ldots,g_{m}\in F\langle X\rangle$. Thus we say that $Id(A)$ is a T-ideal. For details, see [2, 3]. Let $F\langle X\rangle^{(d_{1},\ldots,d_{m})}$ be the vector subspace of $F\langle X\rangle$ spanned by all monomials $u=x_{j_{1}}\ldots x_{j_{t}}$, where the variable $x_{i}$ appears $d_{i}$ times in $u$ for all $i=1,\ldots,m$. If $f(x_{1},\ldots,x_{m})\in F\langle X\rangle^{(d_{1},\ldots,d_{m})}$ then we say that $f$ is multihomegenous of multidegree $(d_{1},\ldots,d_{m})$. Note that if $f=f(x_{1},\dots,x_{m})\in F\langle X\rangle$, we can always write $f=\displaystyle\sum_{d_{1}\geq 0,\dots,d_{m}\geq 0}f^{(d_{1},\dots,d_{m})}$ where $f^{(d_{1},\dots,d_{m})}\in F\langle X\rangle^{(d_{1},\dots,d_{m})}$. The polynomials $f^{(d_{1},\ldots,d_{m})}$ are called the multihomogenous components of $f$. Now we recall an important result that will be used in the next section. ###### Theorem 7. If $f=f(x_{1},\dots,x_{m})$ is a polynomial identity for an algebra $A$, then every multihomogeneous component of $f$ is a polynomial identity for $A$. ###### Proof. See [3], Theorem 1.3.2. ∎ We call the reader’s attention to the fact that the above result holds for every infinite field $F$, but it is not always true for finite fields. ## 3 Proofs of the Main Results In this section we give the proofs of the main results of the paper. ###### Proof. (Proposition 1) Since $A\subseteq C(A)$, it follows that $Id(C(A))\subseteq Id(A)$. Let $f(x_{1},\ldots,x_{m})\in Id(A)$ and $a_{1},\ldots,a_{m}\in C(A)$. By the construction of $C(A)$ we have $f(a_{1},\ldots,a_{m})=f([(a_{1n})_{n}],\ldots,[(a_{mn})_{n}])=[(f(a_{1n},\ldots,a_{mn}))_{n}]=[(0)_{n}].$ The last identity implies that $f\in Id(C(A))$. Therefore $Id(A)\subseteq Id(C(A))$. ∎ Let $g(x_{1},\ldots,x_{t})$ a polynomial and let $g^{(d_{1},\ldots,d_{t})}$ its multihomogeneous component of multidegree $(d_{1},\ldots,d_{t})$. If $m<t$ and $d_{m+1}=d_{m+2}=\ldots=d_{t}=0$, then we write $g^{(d_{1},\ldots,d_{m},\ldots,d_{t})}=g^{(d_{1},\ldots,d_{m})}.$ If $t<m$, then we write $g^{(d_{1},\ldots,d_{t})}=g^{(d_{1},\ldots,d_{t},0,\ldots,0)},$ where the number of zeros is $m-t$. With this convention we have the following lemma: ###### Lemma 8. Let $F\langle X\rangle$ be a MN-algebra and let $f=f(x_{1},\ldots,x_{m})$ be a polynomial. If $(f_{n})_{n}$ is a sequence in $F\langle X\rangle$ such that $f_{n}\to f$, then $f_{n}^{(d_{1},\ldots,d_{m})}\to f^{(d_{1},\ldots,d_{m})}$ for all multidegree $d=(d_{1},\ldots,d_{m})$. ###### Proof. Once $\|\cdot\|$ is a multihomogeneous norm we have the following inequality $\|f_{n}^{(d_{1},\ldots,d_{m})}-f^{(d_{1},\ldots,d_{m})}\|\leq\|f_{n}-f\|.$ Since $f_{n}\to f$ it follows that $f_{n}^{(d_{1},\ldots,d_{m})}\to f^{(d_{1},\ldots,d_{m})}$. ∎ ###### Proposition 9. Let $A$ be a PI-algebra. If $F\langle X\rangle$ is a MN-algebra, then $Id(A)$ is a closed ideal. ###### Proof. Let $(f_{n})_{n}\in Id(A)$ be a sequence of polynomials such that $f_{n}\to f$. We want to prove that $f\in Id(A)$. Write $f=f(x_{1},\ldots,x_{m})=\sum_{(d_{1},\dots,d_{m})}f^{(d_{1},\dots,d_{m})}.$ By the Lemma 8, we have that $f_{n}^{(d_{1},\dots,d_{m})}\to f^{(d_{1},\dots,d_{m})}$ for all multidegree $(d_{1},\dots,d_{m})$. Note that $f_{n}^{(d_{1},\dots,d_{m})}\in F\langle X\rangle^{(d_{1},\dots,d_{m})}\cap Id(A)$ by the Theorem 7. Since $F\langle X\rangle^{(d_{1},\dots,d_{m})}$ is a finite-dimensional vector space follows that $F\langle X\rangle^{(d_{1},\dots,d_{m})}\cap Id(A)$ has also finite dimension. Since every finite-dimensional space is closed in the norm topology, we have that $F\langle X\rangle^{(d_{1},\dots,d_{m})}\cap Id(A)$ is closed. Thus $f^{(d_{1},\dots,d_{m})}\in F\langle X\rangle^{(d_{1},\dots,d_{m})}\cap Id(A)$ and therefore $f\in Id(A)$. ∎ If $A$ is a PI-algebra and $F\langle X\rangle$ is MN-algebra, then by the above proposition we can define a norm in the quotient algebra $F\langle X\rangle/Id(A)$: $\|f+Id(A)\|=\mbox{inf}\\{\|f+g\|\,:\,g\in Id(A)\\},$ where $f\in F\langle X\rangle$. With this norm we have that $F\langle X\rangle/Id(A)$ is a normed algebra. So we can see that the Theorem 3 describes the polynomial identities of the completion of this quotient algebra. Now we proceed to its proof. ###### Proof. (Theorem 3) By a classical result in PI-Algebra we have $Id(A)=Id\left(\frac{F\langle X\rangle}{Id(A)}\right),$ see [3]. So the proof of the theorem follows immediately from Proposition 1. ∎ ###### Proof. (Corollary 5) If $C(A)$ is nil, then by Theorem 4, we have that $C(A)$ is nilpotent. Thus $x_{1}x_{2}\ldots x_{n}$ is a polynomial identity of $C(A)$ for some $n$. Since by Proposition 1 we have $Id(A)=Id(C(A))$, follows that $A$ is nilpotent. ∎ ###### Proof. (Corollary 6) Let $B=F\langle X\rangle/Id(A)$. If $C(B)$ is nil, then by Theorem 4 we have that $C(B)$ is nilpotent. Thus $x_{1}x_{2}\ldots x_{n}$ is polynomial identity of $C(B)$ for some $n$. Since by Theorem 3 we have $Id(A)=Id(C(B))$, follows that $A$ is nilpotent. ∎ ## References * [1] H. G. Dales, Norming Nil Algebras, Proc. Amer. Math. Soc., 83, Number 1, 71–74, 1981. * [2] V. Drensky, Free algebras and PI-algebras, Graduate Course in Algebra, Springer, Singapore, 1999. * [3] A. Giambruno, M. Zaicev, Polynomial identities and asymptotic methods, Math. Surveys Monographs 122, AMS, Providence, RI, 2005\. * [4] S. Grabine, The nilpotency of Banach nil algebras, Proc. Amer. Math. Soc., 21, 510, 1969. * [5] I. Kaplansky, Set Theory and Metric Spaces, Allyn and Bacon Series in Advanced Mathematics, Boston, Mass., 1972. * [6] M. A. Naimark, Normed algebra, Wolters-Noordhoff, 3 edition, 1972.
arxiv-papers
2013-04-09T02:41:43
2024-09-04T02:49:44.005883
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Leandro Cioletti, Jos\\'e Ant\\^onio Freitas and Dimas Jos\\'e\n Gon\\c{c}alves", "submitter": "Leandro Cioletti", "url": "https://arxiv.org/abs/1304.2451" }
1304.2472
# Dualities for absolute zeta functions and multiple gamma functions Nobushige Kurokawa Nobushige Kurokawara Tokyo Institute of Technology [email protected] and Hiroyuki Ochiai Hiroyuki Ochiai Kyushu University [email protected] ###### Abstract. We study absolute zeta functions from the view point of a canonical normalization. We introduce the absolute Hurwitz zeta function for the normalization. In particular, we show that the theory of multiple gamma and sine functions gives good normalizations in cases related to the Kurokawa tensor product. In these cases, the functional equation of the absolute zeta function turns out to be equivalent to the simplicity of the associated non- classical multiple sine function of negative degree. ###### Key words and phrases: absolute zeta function, multiple gamma function, multiple sine function ###### 2000 Mathematics Subject Classification: Primary 11M06 ## 1\. Introduction The absolute zeta function of a scheme $X$ over ${\mathbb{F}_{1}}$ was first studied by Soulé [S] as a “limit of $p\to 1$” of the (congruence) zeta function over ${\mathbb{F}_{p}}$: see Kurokawa [K2] and Deitmar [D] also. Then, Connes and Consani [CC1] [CC2] investigated the absolute zeta function as the following integral $\zeta_{X}(s)=\exp\left(\mbox{$\displaystyle\int_{1}^{\infty}\frac{N_{X}(u)}{u^{s+1}\log u}du$}\right),$ where $N_{X}(u)=\left|X(\mathbb{F}_{1^{u-1}})\right|$ is a suitably interpolated “counting function.” Here we must pay attention to the needed normalization for the integral near $u=1$: see [CC1] [CC2] for a discussion. In [CC1, Theorem 4.13] [CC2, Theorem 4.3] Connes and Consani calculated $\zeta_{X}(s)$ for Noetherian schemes via the Kurokawa tensor product of [K1]. Our purpose is to introduce the absolute Hurwitz zeta function $Z_{X}(w;s)=\frac{1}{\Gamma(w)}\int_{1}^{\infty}\frac{N_{X}(u)}{u^{s+1}(\log u)^{1-w}}du$ to get the canonical normalization: $\zeta_{X}(s)=\exp\left(\left.\frac{\partial}{\partial w}Z_{X}(w;s)\right|_{w=0}\right).$ This normalization is essentially due to Riemann (1859) and it is used in the theory of multiple gamma and sine function as follows. For each integer $r\geq 1$, the $r$-ple Hurwitz zeta function $\zeta_{r}(w;x)$ is defined in $\operatorname{Re}(w)>r$ as $\zeta_{r}(w;x)=\sum_{n=0}^{\infty}{}_{r}H_{n}(n+x)^{-w}$ (1) where ${}_{r}H_{n}={{n+r-1}\choose{n}}$. The analytic continuation of $\zeta_{r}(w;x)$ to all $w\in\mathbb{C}$ is obtained via the integral representation of Riemann $\displaystyle\zeta_{r}(w;x)$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{0}^{\infty}(1-e^{-t})^{-r}e^{-xt}t^{w-1}dt$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{1}^{\infty}(1-u^{-1})^{-r}u^{x-1}(\log u)^{w-1}du$ by treating the integral around $u=1$ in the usual way. Thus, by using such analytic continuation we get the $r$-ple gamma function $\Gamma_{r}(x)=\exp\left(\left.\frac{\partial}{\partial w}\zeta_{r}(w;x)\right|_{w=0}\right)$ and the $r$-ple sine function $S_{r}(x)=\Gamma_{r}(x)^{-1}\Gamma_{r}(r-x)^{(-1)^{r}}.$ We refer to Barnes [B] (1904) and Kurokawa-Koyama [KK] (2003) for details, where more general multiple gamma functions and multiple sine functions were treated respectively. We report three results in this introduction. First, for a function $N:(1,\infty)\rightarrow\mathbb{C}$ we use $Z_{N}(w;s)=\frac{1}{\Gamma(w)}\int_{1}^{\infty}N(u)u^{-s-1}(\log u)^{w-1}du$ and $\zeta_{N}(s)=\exp\left(\left.\frac{\partial}{\partial w}Z_{N}(w;s)\right|_{w=0}\right)$ also. ###### Theorem A. Let $N(u)=\displaystyle\sum_{\alpha}m(\alpha)u^{\alpha}$ be a finite sum. Then: * (1) $Z_{N}(w;s)=\displaystyle\sum_{\alpha}m(\alpha)(s-\alpha)^{-w}$. * (2) $\zeta_{N}(s)=\displaystyle\prod_{\alpha}(s-\alpha)^{-m(\alpha)}$. This result is applicable to calculate many examples (see [K2]) of absolute zeta functions under our canonical normalization. We note two simple examples. ###### Example 1. Let $X=\operatorname{Spec}{\mathbb{F}_{1}}$. Then $\displaystyle N_{X}(u)=1,$ $\displaystyle Z_{X}(w;s)=s^{-w},$ $\displaystyle\zeta_{X}(s)=1/s.$ ###### Example 2. Let $X=\mathbb{SL}(2)$. Then $\displaystyle N_{X}(u)=u^{3}-u,$ $\displaystyle Z_{X}(w;s)=(s-3)^{-w}(s-1)^{-w},$ $\displaystyle\zeta_{X}(s)=(s-1)/(s-3).$ Now the following result shows a functoriality. ###### Theorem B. * (1) For $N_{1},N_{2}:(1,\infty)\rightarrow\mathbb{C}$ let $(N_{1}\oplus N_{2})(u)=N_{1}(u)+N_{2}(u).$ Then $Z_{N_{1}\oplus N_{2}}(w;s)=Z_{N_{1}}(w;s)+Z_{N_{2}}(w;s)$ and $\zeta_{N_{1}\oplus N_{2}}(s)=\zeta_{N_{1}}(s)\zeta_{N_{2}}(s).$ * (2) Let $N_{i}(u)=\sum_{\alpha_{i}}m_{i}(\alpha_{i})u^{\alpha_{i}}$ for $i=1,2$. Suppose that both are finite sums. Put $(N_{1}\otimes N_{2})(u)=N_{1}(u)N_{2}(u).$ Then $\displaystyle Z_{N_{1}\otimes N_{2}}(w;s)$ $\displaystyle=\sum_{\alpha_{1},,\alpha_{2}}m_{1}(\alpha_{1})m_{2}(\alpha_{2})(s-(\alpha_{1}+\alpha_{2}))^{-w}$ and $\zeta_{N_{1}\otimes N_{2}}(s)=\prod_{\alpha_{1},\alpha_{2}}(s-(\alpha_{1}+\alpha_{2}))^{-m_{1}(\alpha_{2})m_{2}(\alpha_{2})}.$ This tensor product is essentially the Kurokawa tensor product originated in [K1] (see [M], [CC1] and [CC2]) when $\alpha_{j}$’s are real. We remark that for general $N_{j}$’s (“infinite sums” or “generalized functions”) we must resolve various difficulties. For the next result we notice that our construction of $\zeta_{r}(w;x)$, $\Gamma_{r}(x)$ and $S_{r}(x)$ is valid for negative $r$ also (see the later explanation). ###### Theorem C. Let $r$ be a positive integer. Then * (1) $\displaystyle Z_{\mathbb{G}_{\rm m}^{\otimes r}}(w;s)=\zeta_{-r}(w;s-r)$. * (2) $\displaystyle\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)=\Gamma_{-r}(s-r)$ $\displaystyle=\prod_{j=1}^{r}(s-j)^{(-1)^{r-j-1}{r\choose j}}$ $\displaystyle=\left((1-1/s)^{\otimes r}\right)^{-1}$, where $\otimes r$ is the Kurokawa tensor product. * (3) We have the functional equation $\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)=\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(r-s)^{(-1)^{r}},$ which is equivalent to $S_{-r}(x)=1$. Our result would suggest that $\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)=\Gamma_{-r}(s-r)$ holds for $r<0$ also with the functional equation $s\leftrightarrow-r-s$. For example $\zeta_{\mathbb{G}_{\rm m}^{\otimes-1}}(s)=\Gamma_{1}(s+1)=\frac{\Gamma(s+1)}{\sqrt{2\pi}}$ and the functional equation $s\leftrightarrow 1-s$ is the reflection formula of Euler: $\Gamma_{1}(s+1)\Gamma(2-s)=S_{1}(s+1)^{-1}=-\frac{1}{2\sin(\pi s)}.$ We remark that Manin [M, §1.7] indicated an idea to consider the gamma function as the zeta function of the “dual infinite dimensional projective space over ${\mathbb{F}_{1}}$.” ## 2\. Multiple gamma functions and multiple sine functions We recall the construction of the multiple Hurwitz zeta function: $\displaystyle\zeta_{r}(w;x)$ $\displaystyle=\sum_{n=0}^{\infty}{n+r-1\choose n}(n+x)^{-w}$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{0}^{\infty}(1-e^{-t})^{-r}e^{-xt}t^{w-1}dt$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{1}^{\infty}(1-u^{-1})^{-r}u^{-x-1}(\log u)^{w-1}du.$ This definition is valid for any $r\in\mathbb{R}$ with sufficiently large $\operatorname{Re}(x)$ and $\operatorname{Re}(w)$, so we have the analytic continuation to all $w\in\mathbb{C}$ via the usual method. Thus, we get $\Gamma_{r}(x)=\exp\left(\left.\frac{\partial}{\partial w}\zeta_{r}(w;x)\right|_{w=0}\right)$ and $S_{r}(x)=\Gamma_{r}(x)^{-1}\Gamma_{r}(r-x)^{(-1)^{r}}$ for any $r\in\mathbb{R}$ (or $r\in\mathbb{Z}$ at least without ambiguity of the meaning of $(-1)^{r}$). For readers interested in the theory of $r<0$, we refer to [KO]. ###### Theorem 1. Let $r$ be a negative integer. Then * (1) $\displaystyle\Gamma_{r}(x)=\prod_{n=0}^{-r}(x+n)^{(-1)^{n+1}{-r\choose n}}$. * (2) $S_{r}(x)=1$. ###### Proof. We have $\displaystyle\zeta_{r}(w;x)$ $\displaystyle=\sum_{n=0}^{\infty}{n+r-1\choose n}(n+x)^{-w}$ $\displaystyle=\sum_{n=0}^{\infty}(-1)^{n}{-r\choose n}(n+x)^{-w}.$ Hence $\displaystyle\Gamma_{r}(x)$ $\displaystyle=\exp\left(\sum_{n=0}^{-r}(-1)^{n+1}{-r\choose n}\log(n+x)\right)$ $\displaystyle=\prod_{n=0}^{-r}(n+x)^{(-1)^{n+1}{-r\choose n}}.$ Next, $\displaystyle S_{r}(x)=\Gamma_{r}(x)^{-1}\Gamma_{r}(r-x)^{(-1)^{r}}$ $\displaystyle=\prod_{n=0}^{-r}(n+x)^{(-1)^{n}{-r\choose n}}\times\prod_{n=0}^{-r}(n+r-x)^{(-1)^{n-r+1}{-r\choose n}}$ $\displaystyle=\prod_{n=0}^{-r}(n+x)^{(-1)^{n}{-r\choose n}}$ $\displaystyle\qquad\times\prod_{n=0}^{-r}((-r-n)+x)^{(-1)^{(-r-n)+1}{-r\choose n}},$ where we used $\sum_{n=0}^{-r}(-1)^{n}{-r\choose n}=0.$ Hence $\displaystyle S_{r}(x)$ $\displaystyle=\prod_{n=0}^{-r}(n+x)^{(-1)^{n}{-r\choose n}}\times\prod_{n=0}^{-r}(n+x)^{(-1)^{n+1}{-r\choose n}}$ $\displaystyle=1.$ ∎ This result can be generalized to the multi-period case $\underline{\omega}=(\omega_{1},\ldots,\omega_{r})$ with $\omega_{1},\ldots,\omega_{r}>0$ as follows, where the above case is contained as $\underline{\omega}=(1,\ldots,1)$. Put $\displaystyle\zeta_{-r}(w;x,\underline{\omega})$ $\displaystyle\qquad=\sum_{1\leq i_{1}<\cdots<i_{k}\leq r}(-1)^{k}(x+\omega_{i_{1}}+\cdots+\omega_{i_{k}})^{-w},$ $\displaystyle\Gamma_{-r}(w,\underline{\omega})=\exp\left(\left.\frac{\partial}{\partial w}\zeta_{-r}(w;x,\underline{\omega})\right|_{w=0}\right),$ and $\displaystyle S_{-r}(x,\underline{\omega})=\Gamma_{-r}(x,\underline{\omega})^{-1}$ $\displaystyle\quad\qquad\times\Gamma_{-r}(-(\omega_{1}+\cdots+\omega_{r})-x,\underline{\omega})^{(-1)^{r}}.$ Then we have (see [KO] for more generalizations also) $\displaystyle\zeta_{-r}(w;x,\underline{\omega})$ $\displaystyle\quad=\frac{1}{\Gamma(w)}\int_{0}^{w}(1-e^{-t\omega_{1}})\cdots(1-e^{-t\omega_{r}})e^{-xt}t^{w-1}dt,$ $\displaystyle\Gamma_{-r}(x,\underline{\omega})=\prod_{1\leq i_{1}<\cdots<i_{k}\leq r}(x+\omega_{i_{1}}+\cdots+\omega_{i_{k}})^{(-1)^{k}},$ and $\displaystyle S_{-r}(x,\underline{\omega})=1.$ For example, we get $\zeta_{\mathbb{SL}(2)}(s)=\Gamma_{-1}(s-3,2)=\frac{s-1}{s-3}.$ More generally: $\displaystyle\zeta_{\mathbb{SL}(r)}(s)=\Gamma_{-(r-1)}(s-(r^{2}-1),(2,3,\cdots,r))$ and $\displaystyle\zeta_{\mathbb{GL}(r)}(s)=\Gamma_{-r}(s-r^{2},(1,2,3,\cdots,r)),$ where $\left\\{\begin{array}[]{l}r-1=\operatorname{rank}\mathbb{SL}(r)\\\ r^{2}-1=\dim\mathbb{SL}(r)\end{array}\right.$ and $\left\\{\begin{array}[]{l}r=\operatorname{rank}\mathbb{GL}(r)\\\ r^{2}=\dim\mathbb{GL}(r).\end{array}\right.$ We obtain the functional equations $\displaystyle\zeta_{\mathbb{SL}(r)}(s)=\zeta_{\mathbb{SL}(r)}(r(3r-1)/2-1-s)^{(-1)^{r-1}},$ and $\displaystyle\zeta_{\mathbb{GL}(r)}(s)=\zeta_{\mathbb{GL}(r)}(r(3r-1)/2-s)^{(-1)^{r}}$ from the triviality of the multiple sine function of negative order exactly similar to Theorem C. ###### Theorem 2. Let $r$ be a negative real number. Then: * (1) $\zeta_{r}(m;x)=0$ for each integer $m$ satisfying $r<m\leq 0$. * (2) $\displaystyle\Gamma_{r}(x)=\exp\left(\int_{1}^{\infty}(1-u^{-1})^{-r}u^{-x-1}(\log u)^{-1}du\right)$ for $\operatorname{Re}(x)>0$. ###### Example 3. $\zeta_{-3}(w;x)=x^{-w}-3(x+1)^{-w}+3(x+2)^{-w}-(x+3)^{-w}$ and $\zeta_{-3}(0;x)=\zeta_{-3}(-1;x)=\zeta_{-3}(-2;x)=0.$ Notice that $\zeta_{-3}(-3;x)=-6$. (In general $\zeta_{-m}(-m;x)=(-1)^{m}m!$ for integers $m\geq 0$. ###### Example 4. $\zeta_{-\frac{1}{2}}(w;x)=x^{-w}-\sum_{n=1}^{\infty}\frac{{2n\choose n}}{(2n-1)4^{n}}(n+x)^{-w}$ and $\zeta_{-\frac{1}{2}}(0;x)=1-\sum_{n=1}^{\infty}\frac{{2n\choose n}}{(2n-1)4^{n}}=0,$ that is $\sum_{n=1}^{\infty}\frac{{2n\choose n}}{(2n-1)4^{n}}=1.$ ###### Proof. The fact (1) follows from the integral representation $\zeta_{r}(w;x)=\frac{1}{\Gamma(w)}\int_{1}^{\infty}(1-u^{-1})^{-r}u^{-x-1}(\log u)^{w-1}du,$ since this integral converges for $\operatorname{Re}(w)>-r$ when $\operatorname{Re}(x)>0$, and $1/\Gamma(w)$ has zeros at $w=0,-1,\ldots,r+1$. Similarly, (2) is seen by looking at $w=0$. ∎ ## 3\. Proof of Theorem A For a function $N:(1,\infty)\rightarrow\mathbb{C}$ we defined $Z_{N}(w;s)=\frac{1}{\Gamma(w)}\int_{1}^{\infty}N(u)u^{-s-1}(\log u)^{w-1}du$ and $\zeta_{N}(s)=\exp\left(\left.\frac{\partial}{\partial w}Z_{N}(w;s)\right|_{w=0}\right).$ We calculate these functions in the case of a finite sum $N(u)=\sum_{\alpha}m(\alpha)u^{\alpha}.$ It is sufficient to calculate the following monomial case. ###### Lemma. Let $N(u)=u^{\alpha}$, then $Z_{N}(w;s)=(s-\alpha)^{-w}$ and $\zeta_{N}(s)=\frac{1}{s-\alpha}.$ ###### Proof. $\displaystyle Z_{N}(w;s)$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{1}^{\infty}u^{\alpha-s-1}(\log u)^{w-1}du$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{0}^{\infty}e^{-(s-\alpha)t}t^{w-1}dt$ $\displaystyle=(s-\alpha)^{-w}.$ Hence $\left.\frac{\partial}{\partial w}Z_{N}(w,s)\right|_{w=0}=-\log(s-\alpha)$ and $\zeta_{N}(s)=\frac{1}{s-\alpha}.$ ∎ ## 4\. Proof of Theorem B (1) Since $\displaystyle Z_{N_{1}\oplus N_{2}}(w;s)$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{1}^{\infty}(N_{1}\oplus N_{2})(u)u^{-s-1}(\log u)^{w-1}du$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{1}^{\infty}(N_{1}(u)+N_{2}(u))u^{-s-1}(\log u)^{w-1}du$ $\displaystyle=Z_{N_{1}}(w;s)+Z_{N_{2}}(w;s),$ we have $\zeta_{N_{1}\oplus N_{2}}(s)=\zeta_{N_{1}}(s)\zeta_{N_{2}}(s).$ (2) From $\displaystyle(N_{1}\oplus N_{2})(u)$ $\displaystyle=N_{1}(u)N_{2}(u)$ $\displaystyle=(\sum_{\alpha_{1}}m_{1}(\alpha_{1})u^{\alpha_{1}})(\sum_{\alpha_{2}}m_{2}(\alpha_{2})u^{\alpha_{2}})$ $\displaystyle=\sum_{\alpha_{1},\alpha_{2}}m_{1}(\alpha_{1})m_{2}(\alpha_{2})u^{\alpha_{1}+\alpha_{2}},$ we have $\displaystyle Z_{N_{1}\otimes N_{2}}(w;s)$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{1}^{\infty}(N_{1}\otimes N_{2})(u)u^{-s-1}(\log u)^{w-1}du$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{1}^{\infty}\Big{(}\sum_{\alpha_{1},\alpha_{2}}m_{1}(\alpha_{1})m_{2}(\alpha_{2})u^{\alpha_{1}+\alpha_{2}}\Big{)}$ $\displaystyle\hskip 113.81102pt\times u^{-s-1}(\log u)^{w-1}du$ $\displaystyle=\sum_{\alpha_{1},\alpha_{2}}m_{1}(\alpha_{1})m_{2}(\alpha_{2})(s-(\alpha_{1}+\alpha_{2}))^{-w}.$ Hence $\zeta_{N_{1}\otimes N_{2}}(s)=\prod_{\alpha_{1},\alpha_{2}}(s-(\alpha_{1}+\alpha_{2}))^{-m_{1}(\alpha_{1})m_{2}(\alpha_{2})}.\qed$ ## 5\. Absolute zeta functions ###### Theorem 3. Let $r$ be a positive integer. Then * (1) $\displaystyle\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)=\Gamma_{-r}(s-r)$. * (2) $\displaystyle\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)=\exp\Big{(}\int_{1}^{\infty}N_{\mathbb{G}_{\rm m}^{\otimes r}}(u)u^{-s-1}(\log u)^{-1}du\Big{)}.$ ###### Proof. (1) Since $N_{\mathbb{G}_{\rm m}^{\otimes r}}(u)=(u-1)^{r},$ we have $\displaystyle Z_{\mathbb{G}_{\rm m}^{\otimes r}}(w;s)$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{1}^{\infty}(u-1)^{r}u^{-s-1}(\log u)^{w-1}du$ $\displaystyle=\frac{1}{\Gamma(w)}\int_{1}^{\infty}(1-u^{-1})^{r}u^{-s+r-1}(\log u)^{w-1}du$ $\displaystyle=\zeta_{-r}(w;s-r).$ Thus, $\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)=\Gamma_{-r}(s-r).$ (2) This follows from (1) and Theorem 2(2). ∎ We notice that Theorem 1 and Theorem 3(1) imply Theorem C(1)(2). ## 6\. Functional equations ###### Theorem 4. Let $r$ be a positive integer. Then $\frac{\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)}{\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(r-s)^{(-1)^{r}}}=S_{-r}(s-r)^{-1}.$ ###### Proof. From Theorem 3(1), we have $\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)=\Gamma_{-r}(s-r)$ and $\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(r-s)=\Gamma_{-r}(-s).$ Hence, $\displaystyle\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(r-s)^{(-1)^{r+1}}$ $\displaystyle=\Gamma_{-r}(s-r)\Gamma_{-r}(-s)^{(-1)^{r+1}}$ $\displaystyle=S_{-r}(s-r)^{-1}.$ ∎ We remark that we have the functional equation $\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(s)=\zeta_{\mathbb{G}_{\rm m}^{\otimes r}}(r-s)^{(-1)^{r}}$ from Theorem 1(2) and we know that it is equivalent to $S_{-r}(x)=1$. Thus we have Theorem C(3). ## References * [B] E.W. Barnes, On the theory of the multiple gamma functions. Trans. Cambridge Philos. Soc. 19 (1904) 374–425. * [CC1] A. Connes and C. Consani, Schemes over ${\mathbb{F}}_{1}$ and zeta functions. Compositio Mathematica 146 (2010) 1383–1415. * [CC2] A. Connes and C. Consani, Characteristic one, entropy and the absolute point. In ”Noncommutative Geometry, Arithmetic, and Related Topics, Proceedings of the JAMI Conference 2009”, Johns Hopkins University Press (2011) 75–140. * [D] A. Deitmar, Remarks on zeta functions and $K$-theory over ${\mathbf{F}}_{1}$, Proc. Japan Acad. Ser. A Math. Sci. 82 (2006) 141–146. * [K1] N. Kurokawa, Multiple zeta functions: an example. In “Zeta Functions in Geometry” (Tokyo 1990), Adv. Stud. Pure Math. 21, Kinokuniya, Tokyo, 1992, 219–226. * [K2] N. Kurokawa, Zeta functions over ${\mathbb{F}}_{1}$, Proc. Japan Acad. Ser. A Math. Sci. 81 (2005) 180–184. * [KK] N. Kurokawa and S. Koyama, Multiple sine functions. Forum Math. 15 (2003) 839–876. * [KO] N. Kurokawa and H. Ochiai, Multiple gamma functions of negative order, 2013, preprint. * [M] Y. Manin, Lectures on zeta functions and motives (according to Deninger and Kurokawa), Astérisque 228 (1995), 121–163. * [S] C. Soulé, Les variétés sur le corps à un élément. Mosc. Math. J. 4 (2004) 217–244.
arxiv-papers
2013-04-09T07:07:28
2024-09-04T02:49:44.011819
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Nobushige Kurokawa and Hiroyuki Ochiai", "submitter": "Hiroyuki Ochiai", "url": "https://arxiv.org/abs/1304.2472" }
1304.2591
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-058 LHCb-PAPER-2013-009 May $27$, $2013$ Limits on neutral Higgs boson production in the forward region in $pp$ collisions at $\sqrt{s}={7~{}\mathrm{TeV}}$ The LHCb collaboration†††Authors are listed on the following pages. Limits on the cross-section times branching fraction for neutral Higgs bosons, produced in $pp$ collisions at ${\sqrt{s}=7~{}\mathrm{Te\kern-1.00006ptV}}$, and decaying to two tau leptons with pseudorapidities between $2.0$ and $4.5$, are presented. The result is based on a dataset, corresponding to an integrated luminosity of $1.0~{}\mathrm{fb}^{-1}$, collected with the LHCb detector. Candidates are identified by reconstructing final states with two muons, a muon and an electron, a muon and a hadron, or an electron and a hadron. A model independent upper limit at the ${95\%}$ confidence level is set on a neutral Higgs boson cross-section times branching fraction. It varies from ${8.6~{}\mathrm{pb}}$ for a Higgs boson mass of ${90~{}\mathrm{Ge\kern-1.00006ptV}}$ to ${0.7~{}\mathrm{pb}}$ for a Higgs boson mass of ${250~{}\mathrm{Ge\kern-1.00006ptV}}$, and is compared to the Standard Model expectation. An upper limit on ${\tan\beta}$ in the Minimal Supersymmetric Model is set in the ${m_{h^{0}}^{\mathrm{max}}}$ scenario. It ranges from $34$ for a $C\\!P$-odd Higgs boson mass of ${90~{}\mathrm{Ge\kern-1.00006ptV}}$ to $70$ for a pseudo-scalar Higgs boson mass of ${140~{}\mathrm{Ge\kern-1.00006ptV}}$. Published in JHEP Vol. 2013, Number 5 (2013), 132, DOI 10.1007/JHEP05(2013)132 © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen59, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 34, M. Artuso56, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso57, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, M. Benayoun8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani12, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk56, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia56, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton56, N.H. Brook45, H. Brown51, I. Burducea28, A. Bursche39, G. Busetto21,q, J. Buytaert37, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez35,n, A. Camboni35, P. Campana18,37, D. Campora Perez37, A. Carbone14,c, G. Carboni23,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia49, L. Carson52, K. Carvalho Akiba2, G. Casse51, M. Cattaneo37, Ch. Cauet9, M. Charles54, Ph. Charpentier37, P. Chen3,38, N. Chiapolini39, M. Chrzaszcz 25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco40, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, B. Couturier37, G.A. Cowan49, D. Craik47, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, P. David8, P.N.Y. David40, A. Davis59, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian39, J.M. De Miranda1, L. De Paula2, W. De Silva59, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, D. Derkach14, O. Deschamps5, F. Dettori41, A. Di Canto11, H. Dijkstra37, M. Dogaru28, S. Donleavy51, F. Dordei11, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, R. 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Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH University of Science and Technology, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56Syracuse University, Syracuse, NY, United States 57Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 58Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 59University of Cincinnati, Cincinnati, OH, United States, associated to 56 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ## 1 Introduction The discovery of a boson with a mass of about ${125~{}\mathrm{Ge\kern-1.00006ptV}}$ by the ATLAS [1] and CMS [2] collaborations requires further investigations to confirm whether its properties are compatible with a Standard Model (SM) Higgs boson or if it is better described by theories beyond the SM, such as supersymmetry. The ATLAS and CMS measurements have been made at central values of pseudorapidity, $\eta$; investigations in the forward region can be provided by the LHCb experiment, which is fully instrumented between ${2<\eta<5}$. Both measurements of cross-sections and branching fractions allow different models to be tested. In this paper, model-independent limits on the Higgs boson‡‡‡The symbol ${\Phi^{0}}$ is used throughout to indicate any neutral Higgs boson. Additionally, charge conjugation is implied and the speed of light is taken as $1$. cross-section times branching fraction into two tau leptons are presented for the forward region and compared to SM Higgs boson predictions. Model- dependent limits for the Minimal Supersymmetric Model (MSSM) Higgs bosons, in the scenario where the lightest supersymmetric Higgs boson mass is maximal (${m_{h^{0}}^{\mathrm{max}}}$) [3], are also given for the ratio between up- and down-type Higgs vacuum expectation values (${\tan\beta}$) as a function of the $C\\!P$-odd Higgs boson (${A^{0}}$) mass. ## 2 Detector and datasets The LHCb detector [4] is a single-arm forward spectrometer. The components of particular relevance for this analysis are a high-precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about ${4~{}\mathrm{Tm}}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream of the magnet. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and pre-shower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The trigger [5] consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage, which applies a full event reconstruction. Simulated data samples are used to calculate signal and background contributions, determine efficiencies, and estimate systematic uncertainties. Each sample was generated as described in Ref. [6], with Pythia $6.4$ [7] using the CTEQ$6$L$1$ leading-order PDF set [8] and passed through a Geant4 [9, *GeantB] based simulation of the detector [11]. The LHCb reconstruction software [12] was used to perform trigger emulation and full event reconstruction. The dataset used for this analysis is identical to that described in our previous measurement of the $Z$ cross-section using tau final states [13], which corresponded to an integrated luminosity of ${1028\pm 36~{}\mathrm{pb}^{-1}}$, taken at a centre-of-mass energy of ${7~{}\mathrm{Te\kern-1.00006ptV}}$. The ${Z\to{\tau\tau}}$ decays are identified in five categories: ${\tau_{\mu}\tau_{\mu}}$, ${\tau_{\mu}\tau_{e}}$, ${\tau_{e}\tau_{\mu}}$, ${\tau_{\mu}\tau_{h}}$ and ${\tau_{e}\tau_{h}}$, defined so as to be exclusive, where the subscripts indicate tau decays containing a muon ($\mu$), electron ($e$), or hadron ($h$) and the ordering specifies the first and second tau decay product on which different requirements are applied. The first tau decay product is required to have transverse momentum, $p_{\mathrm{T}}$, above ${20~{}\mathrm{Ge\kern-1.00006ptV}}$ and the second to have ${p_{\mathrm{T}}>5~{}\mathrm{Ge\kern-1.00006ptV}}$. Both tracks are required to have pseudorapidities between $2.0$ and $4.5$, to be isolated with little surrounding activity, to be approximately back-to-back in the azimuthal coordinate, and their combined invariant mass must be greater than ${20~{}\mathrm{Ge\kern-1.00006ptV}}$. The tracks in the ${\tau_{\mu}\tau_{\mu}}$, ${\tau_{\mu}\tau_{h}}$, and ${\tau_{e}\tau_{h}}$ categories are required to be displaced from the primary vertex. Additionally, the ${\tau_{\mu}\tau_{\mu}}$ category requires a difference between the $p_{\mathrm{T}}$ of the two tracks and excludes di-muon invariant masses between $80$ and ${100~{}\mathrm{Ge\kern-1.00006ptV}}$, to suppress the direct decays of $Z$ bosons into two muons. Full details on the selection criteria can be found in Ref. [13]. The invariant mass distribution of the two final state particles for the selected ${{\Phi^{0}}\to{\tau\tau}}$ candidates is plotted in Fig. 1 for each of the five categories separately and combined together. No candidates are observed with a mass above ${120~{}\mathrm{Ge\kern-1.00006ptV}}$. The distributions of Fig. 1 differ from those of Ref. [13] as the simulated mass shapes are calibrated to correct for differences between data and simulation, and the $Z\to{\tau\tau}$ distributions are normalised to theory. (a) (b) (c) (d) (e) (f) Figure 1: Invariant mass distributions for LABEL:sub@fig:mumu ${\tau_{\mu}\tau_{\mu}}$, LABEL:sub@fig:mue ${\tau_{\mu}\tau_{e}}$, LABEL:sub@fig:emu ${\tau_{e}\tau_{\mu}}$, LABEL:sub@fig:muh ${\tau_{\mu}\tau_{h}}$, LABEL:sub@fig:eh ${\tau_{e}\tau_{h}}$, and LABEL:sub@fig:all all candidates. The ${Z\to{\tau\tau}}$ background (solid red) is normalised to the theoretical expectation. The $\mathrm{QCD}$ (horizontal green), electroweak (vertical blue), and $Z$ (solid cyan) backgrounds are estimated from data. The ${t\bar{t}}$ (vertical orange) and ${WW}$ (horizontal magenta) backgrounds are estimated from simulation and generally not visible. The contribution that would be expected from an MSSM signal for ${M_{A^{0}}=125~{}\mathrm{Ge\kern-0.90005ptV}}$ and ${\tan\beta=60}$ is shown in solid green. Six background components are considered: ${Z\to{\tau\tau}}$; hadronic processes (QCD); electroweak (EWK), where one $\tau$ decay product candidate originates from a $W$ or $Z$ boson and the other comes from the underlying event; ${t\bar{t}}$; ${WW}$; and ${Z\to{\ell\ell}}$ where ${\ell\ell}$ indicates electrons or muons originating from a leptonic $Z$ decay. All backgrounds, except ${Z\to{\tau\tau}}$, have been estimated in Ref. [13]. The distribution and normalisation of QCD background events is found from data using same-sign events. The electroweak invariant mass distribution is taken from simulation and normalised using data. The small contributions from ${t\bar{t}}$ and ${WW}$ production are taken from simulation, while the ${Z\to{\ell\ell}}$ invariant mass shape and normalisation are determined from data. The invariant mass distributions for ${{\Phi^{0}}\to{\tau\tau}}$ and ${Z\to{\tau\tau}}$ decays are evaluated from simulation where the mass resolution has been calibrated using the ${Z\to{\mu\mu}}$ invariant mass peak. Each event is re-weighted by a factor ${(\sigma\times{\varepsilon})/(\sigma_{\mathrm{sim}}\times{\varepsilon_{\mathrm{sim}}})}$, which provides a negligible correction in comparison to the mass resolution calibration. The efficiency, ${\varepsilon}$, for triggering, reconstructing and selecting candidates has been evaluated as a function of momentum and pseudorapidity using data-driven techniques and is described in Ref. [13], while ${\varepsilon_{\mathrm{sim}}}$ is the corresponding efficiency in simulation. The cross-section for the process in simulation is represented by $\sigma_{\mathrm{sim}}$, while $\sigma$ is the theoretical cross-section. The ${Z\to{\tau\tau}}$ sample is normalised using the cross-section calculated with Dynnlo [14] using the MSTW08 PDF set [15]. The ${{\Phi^{0}}\to{\tau\tau}}$ signal distribution is found from simulated gluon- fusion events. The signal samples were generated in mass steps of ${10~{}\mathrm{Ge\kern-1.00006ptV}}$ from ${90~{}\mathrm{Ge\kern-1.00006ptV}}$ to $250~{}\mathrm{Ge\kern-1.00006ptV}$. For both the SM and MSSM Higgs bosons, the normalisation of the signal uses the theoretical calculations described below. The SM cross-sections, using the recommendations of Refs. [16] and [17], are calculated at ${\sqrt{s}=7~{}\mathrm{Te\kern-1.00006ptV}}$ with the program dfg [18] in the complex-pole scheme at next-to-next-to-leading log in QCD contributions and next-to-leading order (NLO) in electroweak contributions. The large parameter space in the MSSM necessitates the use of benchmark scenarios [3]. Only the ${m_{h^{0}}^{\mathrm{max}}}$ scenario is considered for comparison with previous results. Both gluon-fusion and associated ${b\bar{b}}$ production mechanisms are considered; the former is calculated at NLO in QCD using Higlu [19] with the top-loop corrected to NNLO using ggh@nnlo [20], while the latter is calculated at NNLO in QCD using bbh@nnlo [21] with the five flavour scheme. For both SM and MSSM Higgs bosons, the branching fractions are calculated using FeynHiggs [22] at the two-loop level. The expected distributions of background events are displayed in Fig. 1 and the estimated numbers of events with their associated systematic uncertainties, as well as the observed numbers of candidates from data, are given in Table 1. The systematic uncertainty on the ${Z\to{\tau\tau}}$ background is dominated by the statistical uncertainty on the data-driven determination of the efficiency; the other background uncertainties are described in Ref. [13]. Table 1: Estimated number of events for each background component and their sum, together with the observed number of candidates and the expected number of SM signal events for $M_{H}=125~{}\mathrm{Ge\kern-0.90005ptV}$, separated by analysis category. | ${\tau_{\mu}\tau_{\mu}}$ | ${\tau_{\mu}\tau_{e}}$ | ${\tau_{e}\tau_{\mu}}$ | ${\tau_{\mu}\tau_{h}}$ | ${\tau_{e}\tau_{h}}$ ---|---|---|---|---|--- ${Z\to{\tau\tau}}$ | $79.8\,\pm$ | $5.6$ | $288.2\,\pm$ | $26.2$ | $115.8\,\pm$ | $12.7$ | $146.1\,\pm$ | $9.7$ | $\phantom{1}62.1\,\pm$ | $8.0$ $\mathrm{QCD}$ | $11.7\,\pm$ | $3.4$ | $72.4\,\pm$ | $2.2$ | $54.0\,\pm$ | $3.0$ | $41.9\,\pm$ | $0.5$ | $24.5\,\pm$ | $0.6$ $\mathrm{EWK}$ | $0.0\,\pm$ | $3.5$ | $40.3\,\pm$ | $4.3$ | $0.0\,\pm$ | $1.3$ | $10.8\,\pm$ | $0.5$ | $9.3\,\pm$ | $0.5$ ${t\bar{t}}$ | $<0.1\,\pm$ | $0.1$ | $3.6\,\pm$ | $0.4$ | $1.0\,\pm$ | $0.1$ | $<0.1\,\pm$ | $0.1$ | $0.7\,\pm$ | $0.4$ ${WW}$ | $<0.1\,\pm$ | $0.1$ | $13.3\,\pm$ | $1.2$ | $1.6\,\pm$ | $0.2$ | $0.2\,\pm$ | $0.1$ | $<0.1\,\pm$ | $0.1$ ${Z\to{\ell\ell}}$ | $29.8\,\pm$ | $7.0$ | $-$ | $-$ | $0.4\,\pm$ | $0.1$ | $2.0\,\pm$ | $0.2$ ${\rm Total}$ | $121.4\,\pm$ | $10.2$ | $417.9\,\pm$ | $26.7$ | $172.4\,\pm$ | $13.1$ | $199.3\,\pm$ | $\phantom{1}9.7$ | $98.7\,\pm$ | $\phantom{1}8.0$ ${\rm Observed}$ | 124 | 421 | 155 | 189 | 101 ${\rm SM~{}Higgs\times 100}$ | $3.9\,\pm$ | $0.5$ | $11.9\,\pm$ | $1.6$ | $3.8\,\pm$ | $0.5$ | $9.7\,\pm$ | $1.3$ | $4.2\,\pm$ | $0.6$ ## 3 Results Limits for model independent and MSSM Higgs boson production are calculated using the method of Ref. [23] with ${{\mathrm{CL_{s}}}=95\%}$ and the test statistic of Eq. $14$ from Ref. [24]. The test statistic is defined using the profile extended-likelihood ratio of the distributions in Fig. 1, where the systematic uncertainties in Table 1 and the uncertainty on the simulated invariant mass shapes have been incorporated using normally distributed nuisance parameters. The uncertainty for the invariant mass shape is determined from the momentum resolution calibration for simulation, while the primary normalisation uncertainties are from luminosity determination and the electron reconstruction efficiency. The distribution of this test statistic is assumed to follow the result of Wilks [25]; this assumption has been validated using a simple likelihood ratio. The expected limits have been determined using Asimov datasets [24]. Figure 2: Model independent combined limit on cross-section by branching fraction for a Higgs boson decaying to two tau leptons at ${95\%}$ ${\mathrm{CL_{s}}}$ as a function of $M_{\Phi^{0}}$ is given on the left. The background only expected limit (dashed red) and ${\pm 1\sigma}$ (green) and ${\pm 2\sigma}$ (yellow) bands are compared with the observed limit (solid black) and the expected SM theory (dotted black) with uncertainty (grey). The combined MSSM ${95\%}$ ${\mathrm{CL_{s}}}$ upper limit on ${\tan\beta}$ as a function of $M_{A^{0}}$ is given on the right and compared to ATLAS (dotted maroon and dot-dashed magenta), CMS (dot-dot-dashed blue and dot-dot-dot- dashed cyan), and LEP (hatched orange) results. The upper limit on the cross-section times branching fraction of a model independent Higgs boson decaying to two tau leptons with ${2.0<\eta<4.5}$ is plotted on the left of Fig. 2 as a function of the Higgs boson mass. The upper-limit on ${\tan\beta}$ for the production of neutral MSSM Higgs bosons, as a function of the $C\\!P$-odd Higgs boson mass, $M_{A^{0}}$, is provided in the right plot of Fig. 2. Previously published exclusion limits from ATLAS [26, 27], CMS [28, 29], and LEP [30] are provided for comparison. ## 4 Conclusions A model independent search for a Higgs boson decaying to two tau leptons with pseudorapidities between $2.0$ and $4.5$ gives an upper bound, at the $95\%$ confidence level, on the cross-section times branching fraction of $8.6~{}\mathrm{pb}$ for a Higgs boson mass of ${90~{}\mathrm{Ge\kern-1.00006ptV}}$ with the bound decreasing smoothly to $0.7~{}\mathrm{pb}$ for a Higgs boson mass of ${250~{}\mathrm{Ge\kern-1.00006ptV}}$. Limits on a MSSM Higgs bosons have been set in the ${m_{h^{0}}^{\mathrm{max}}}$ scenario. Values above ${\tan\beta}$ ranging from $34$ to $70$ are excluded over the $C\\!P$-odd MSSM Higgs boson mass range of $90$ to $140~{}\mathrm{Ge\kern-1.00006ptV}$. For ${M_{A^{0}}<110~{}\mathrm{Ge\kern-1.00006ptV}}$, these are comparable to the limits obtained by ATLAS and CMS using the $2010$ data sets but are considerably less stringent than the ATLAS and CMS results using $2011$ data. The forthcoming running of the LHC should allow the boson, observed by ATLAS and CMS, to be seen in the LHCb detector through a combination of channels and should provide complementary information on its properties. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). 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2013-04-09T13:51:39
2024-09-04T02:49:44.028673
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, M. Benayoun, G.\n Bencivenni, S. Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M.\n van Beuzekom, A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T.\n Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W.\n Bonivento, S. Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T.\n Brambach, J. van den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton,\n N.H. Brook, H. Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S.\n Cadeddu, O. Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, D.\n Campora Perez, A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H.\n Carranza-Mejia, L. Carson, K. Carvalho Akiba, G. Casse, M. Cattaneo, Ch.\n Cauet, M. Charles, Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K.\n Ciba, X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, B.\n Couturier, G.A. Cowan, D. Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P.\n David, P.N.Y. David, A. Davis, I. De Bonis, K. De Bruyn, S. De Capua, M. De\n Cian, J.M. De Miranda, L. De Paula, W. De Silva, P. De Simone, D. Decamp, M.\n Deckenhoff, L. Del Buono, D. Derkach, O. Deschamps, F. Dettori, A. Di Canto,\n H. Dijkstra, M. Dogaru, S. Donleavy, F. Dordei, A. Dosil Su\\'arez, D.\n Dossett, A. Dovbnya, F. Dupertuis, R. Dzhelyadin, A. Dziurda, A. Dzyuba, S.\n Easo, U. Egede, V. Egorychev, S. Eidelman, D. van Eijk, S. Eisenhardt, U.\n Eitschberger, R. Ekelhof, L. Eklund, I. El Rifai, Ch. Elsasser, D. Elsby, A.\n Falabella, C. F\\\"arber, G. Fardell, C. Farinelli, S. Farry, V. Fave, D.\n Ferguson, V. Fernandez Albor, F. Ferreira Rodrigues, M. Ferro-Luzzi, S.\n Filippov, C. Fitzpatrick, M. Fontana, F. Fontanelli, R. Forty, O. Francisco,\n M. Frank, C. Frei, M. Frosini, S. Furcas, E. Furfaro, A. Gallas Torreira, D.\n Galli, M. Gandelman, P. Gandini, Y. Gao, J. Garofoli, P. Garosi, J. Garra\n Tico, L. Garrido, C. Gaspar, R. Gauld, E. Gersabeck, M. Gersabeck, T.\n Gershon, Ph. Ghez, V. Gibson, V.V. Gligorov, C. G\\\"obel, D. Golubkov, A.\n Golutvin, A. Gomes, H. Gordon, M. Grabalosa G\\'andara, R. Graciani Diaz, L.A.\n Granado Cardoso, E. Graug\\'es, G. Graziani, A. Grecu, E. Greening, S.\n Gregson, O. Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C.\n Hadjivasiliou, G. Haefeli, C. Haen, S.C. Haines, S. Hall, T. Hampson, S.\n Hansmann-Menzemer, N. Harnew, S.T. Harnew, J. Harrison, T. Hartmann, J. He,\n V. Heijne, K. Hennessy, P. Henrard, J.A. Hernando Morata, E. van Herwijnen,\n E. Hicks, D. Hill, M. Hoballah, C. Hombach, P. Hopchev, W. Hulsbergen, P.\n Hunt, T. Huse, N. Hussain, D. Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik,\n P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, P. Jaton, F. Jing, M. John, D.\n Johnson, C.R. Jones, B. Jost, M. Kaballo, S. Kandybei, M. Karacson, T.M.\n Karbach, I.R. Kenyon, U. Kerzel, T. Ketel, A. Keune, B. Khanji, O. Kochebina,\n I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L.\n Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M.\n Kucharczyk, V. Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G.\n Lafferty, A. Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C.\n Langenbruch, T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees,\n R. Lef\\`evre, A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, B. Leverington,\n Y. Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G. Liu, S. Lohn, I.\n Longstaff, J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H. Lu, D. Lucchesi,\n J. Luisier, H. Luo, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S.\n Malde, G. Manca, G. Mancinelli, U. Marconi, R. M\\\"arki, J. Marks, G.\n Martellotti, A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M. Martinelli, D.\n Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev, Z. Mathe, C.\n Matteuzzi, E. Maurice, A. Mazurov, J. McCarthy, R. McNulty, A. Mcnab, B.\n Meadows, F. Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J.\n Molina Rodriguez, S. Monteil, D. Moran, P. Morawski, M.J. Morello, R.\n Mountain, I. Mous, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster,\n P. Naik, T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neufeld, A.D.\n Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R. Niet, N. Nikitin,\n T. Nikodem, A. Nomerotski, A. Novoselov, A. Oblakowska-Mucha, V. Obraztsov,\n S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, M. Orlandea, J.M. Otalora\n Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano, M. Palutan, J. Panman,\n A. Papanestis, M. Pappagallo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D.\n Patel, M. Patel, G.N. Patrick, C. Patrignani, C. Pavel-Nicorescu, A. Pazos\n Alvarez, A. Pellegrino, G. Penso, M. Pepe Altarelli, S. Perazzini, D.L.\n Perego, E. Perez Trigo, A. P\\'erez-Calero Yzquierdo, P. Perret, M.\n Perrin-Terrin, G. Pessina, K. Petridis, A. Petrolini, A. Phan, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, S. Playfer, M. Plo Casasus, F.\n Polci, G. Polok, A. Poluektov, E. Polycarpo, D. Popov, B. Popovici, C.\n Potterat, A. Powell, J. Prisciandaro, V. Pugatch, A. Puig Navarro, G. Punzi,\n W. Qian, J.H. Rademacker, B. Rakotomiaramanana, M.S. Rangel, I. Raniuk, N.\n Rauschmayr, G. Raven, S. Redford, M.M. Reid, A.C. dos Reis, S. Ricciardi, A.\n Richards, K. Rinnert, V. Rives Molina, D.A. Roa Romero, P. Robbe, E.\n Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A. Romero Vidal, J.\n Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino, J.J.\n Saborido Silva, N. Sagidova, P. Sail, B. Saitta, C. Salzmann, B. Sanmartin\n Sedes, M. Sannino, R. Santacesaria, C. Santamarina Rios, E. Santovetti, M.\n Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie, D. Savrina, P. Schaack,\n M. Schiller, H. Schindler, M. Schlupp, M. Schmelling, B. Schmidt, O.\n Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B. Sciascia, A. Sciubba,\n M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N. Serra, J. Serrano, P.\n Seyfert, M. Shapkin, I. Shapoval, P. Shatalov, Y. Shcheglov, T. Shears, L.\n Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires, R. Silva Coutinho, T.\n Skwarnicki, N.A. Smith, E. Smith, M. Smith, M.D. Sokoloff, F.J.P. Soler, F.\n Soomro, D. Souza, B. Souza De Paula, B. Spaan, A. Sparkes, P. Spradlin, F.\n Stagni, S. Stahl, O. Steinkamp, S. Stoica, S. Stone, B. Storaci, M.\n Straticiuc, U. Straumann, V.K. Subbiah, S. Swientek, V. Syropoulos, M.\n Szczekowski, P. Szczypka, T. Szumlak, S. T'Jampens, M. Teklishyn, E.\n Teodorescu, F. Teubert, C. Thomas, E. Thomas, J. van Tilburg, V. Tisserand,\n M. Tobin, S. Tolk, D. Tonelli, S. Topp-Joergensen, N. Torr, E. Tournefier, S.\n Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev, P. Tsopelas, N. Tuning, M.\n Ubeda Garcia, A. Ukleja, D. Urner, U. Uwer, V. Vagnoni, G. Valenti, R.\n Vazquez Gomez, P. Vazquez Regueiro, S. Vecchi, J.J. Velthuis, M. Veltri, G.\n Veneziano, M. Vesterinen, B. Viaud, D. Vieira, X. Vilasis-Cardona, A.\n Vollhardt, D. Volyanskyy, D. Voong, A. Vorobyev, V. Vorobyev, C. Vo\\ss, H.\n Voss, R. Waldi, R. Wallace, S. Wandernoth, J. Wang, D.R. Ward, N.K. Watson,\n A.D. Webber, D. Websdale, M. Whitehead, J. Wicht, J. Wiechczynski, D.\n Wiedner, L. Wiggers, G. Wilkinson, M.P. Williams, M. Williams, F.F. Wilson,\n J. Wishahi, M. Witek, S.A. Wotton, S. Wright, S. Wu, K. Wyllie, Y. Xie, F.\n Xing, Z. Xing, Z. Yang, R. Young, X. Yuan, O. Yushchenko, M. Zangoli, M.\n Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y. Zhang, A. Zhelezov, A.\n Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Philip Ilten", "url": "https://arxiv.org/abs/1304.2591" }
1304.2600
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-055 LHCb-PAPER-2013-002 May 22, 2013 Measurement of $C\\!P$ violation and the $B^{0}_{s}$ meson decay width difference with $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ and $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ decays The LHCb collaboration†††Authors are listed on the following pages. The time-dependent $C\\!P$ asymmetry in $B^{0}_{s}\rightarrow J/\psi K^{+}K^{-}$ decays is measured using $pp$ collision data at $\sqrt{s}=7\mathrm{\,Te\kern-1.00006ptV}$, corresponding to an integrated luminosity of $1.0$$\mbox{\,fb}^{-1}$, collected with the LHCb detector. The decay time distribution is characterised by the decay widths $\Gamma_{\mathrm{L}}$ and $\Gamma_{\mathrm{H}}$ of the light and heavy mass eigenstates of the $B^{0}_{s}$–$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ system and by a $C\\!P$-violating phase $\phi_{s}$. In a sample of 27 617 $B^{0}_{s}\rightarrow J/\psi K^{+}K^{-}$ decays, where the dominant contribution comes from $B^{0}_{s}\rightarrow J/\psi\phi$ decays, these parameters are measured to be $\phi_{s}=0.07\pm 0.09\text{(stat)}\pm 0.01\text{(syst)}\ \text{rad}$, $\Gamma_{s}\equiv(\Gamma_{\mathrm{L}}+\Gamma_{\mathrm{H}})/2=0.663\pm 0.005\text{(stat)}\pm 0.006\text{(syst)}\ {\rm\,ps^{-1}}$ and $\Delta\Gamma_{s}\equiv\Gamma_{\mathrm{L}}-\Gamma_{\mathrm{H}}=0.100\pm 0.016\text{(stat)}\pm 0.003\text{(syst)}\ {\rm\,ps^{-1}}$, corresponding to the single most precise determination of $\phi_{s}$, $\Delta\Gamma_{s}$ and $\Gamma_{s}$. The result of performing a combined analysis with $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ decays gives $\phi_{s}=0.01\pm 0.07\text{(stat)}\pm 0.01\text{(syst)}\ \text{rad}$, $\Gamma_{s}=0.661\pm 0.004\text{(stat)}\pm 0.006\text{(syst)}\ {\rm\,ps^{-1}}$ and $\Delta\Gamma_{s}=0.106\pm 0.011\text{(stat)}\pm 0.007\text{(syst)}\ {\rm\,ps^{-1}}$. All measurements are in agreement with the Standard Model predictions. Submitted to Phys. Rev. D © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen56, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov34, M. Artuso57, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso58, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, M. Benayoun8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani12, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk57, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia57, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton57, N.H. Brook45, H. Brown51, I. Burducea28, A. Bursche39, G. Busetto21,q, J. Buytaert37, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez35,n, A. Camboni35, P. Campana18,37, A. Carbone14,c, G. Carboni23,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia49, L. Carson52, K. Carvalho Akiba2, G. Casse51, M. Cattaneo37, Ch. Cauet9, M. Charles54, Ph. Charpentier37, P. Chen3,38, N. Chiapolini39, M. Chrzaszcz25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco40, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, B. Couturier37, G.A. Cowan38, D.C. Craik47, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, P. David8, P.N.Y. David40, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian39, J.M. De Miranda1, L. De Paula2, W. De Silva56, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, D. Derkach14, O. Deschamps5, F. Dettori41, A. Di Canto11, H. Dijkstra37, M. Dogaru28, S. Donleavy51, F. Dordei11, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, R. Dzhelyadin34, A. Dziurda25, A. Dzyuba29, S. Easo48,37, U. Egede52, V. Egorychev30, S. Eidelman33, D. van Eijk40, S. Eisenhardt49, U. Eitschberger9, R. Ekelhof9, L. Eklund50,37, I. El Rifai5, Ch. Elsasser39, D. Elsby44, A. Falabella14,e, C. Färber11, G. Fardell49, C. Farinelli40, S. Farry12, V. Fave38, D. Ferguson49, V. Fernandez Albor36, F. Ferreira Rodrigues1, M. Ferro-Luzzi37, S. Filippov32, M. Fiore16, C. Fitzpatrick37, M. Fontana10, F. Fontanelli19,i, R. Forty37, O. Francisco2, M. Frank37, C. Frei37, M. Frosini17,f, S. Furcas20, E. Furfaro23, A. Gallas Torreira36, D. Galli14,c, M. Gandelman2, P. Gandini57, Y. Gao3, J. Garofoli57, P. Garosi53, J. Garra Tico46, L. Garrido35, C. Gaspar37, R. Gauld54, E. Gersabeck11, M. Gersabeck53, T. Gershon47,37, Ph. Ghez4, V. Gibson46, V.V. Gligorov37, C. Göbel58, D. Golubkov30, A. Golutvin52,30,37, A. Gomes2, H. Gordon54, M. Grabalosa Gándara5, R. Graciani Diaz35, L.A. Granado Cardoso37, E. Graugés35, G. Graziani17, A. Grecu28, E. Greening54, S. Gregson46, O. Grünberg59, B. Gui57, E. Gushchin32, Yu. Guz34,37, T. Gys37, C. Hadjivasiliou57, G. Haefeli38, C. Haen37, S.C. Haines46, S. Hall52, T. Hampson45, S. Hansmann-Menzemer11, N. Harnew54, S.T. Harnew45, J. Harrison53, T. Hartmann59, J. He37, V. Heijne40, K. Hennessy51, P. Henrard5, J.A. Hernando Morata36, E. van Herwijnen37, E. Hicks51, D. Hill54, M. Hoballah5, C. Hombach53, P. Hopchev4, W. Hulsbergen40, P. Hunt54, T. Huse51, N. Hussain54, D. Hutchcroft51, D. Hynds50, V. Iakovenko43, M. Idzik26, P. Ilten12, R. Jacobsson37, A. Jaeger11, E. 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Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57Syracuse University, Syracuse, NY, United States 58Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 59Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ## 1 Introduction The interference between $B^{0}_{s}$ meson decay amplitudes to $C\\!P$ eigenstates ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}X$ directly or via mixing gives rise to a measurable $C\\!P$-violating phase $\phi_{s}$. In the Standard Model (SM), for $b\rightarrow c\overline{c}s$ transitions and ignoring subleading penguin contributions, this phase is predicted to be $-2\beta_{s}$, where $\beta_{s}=\arg\left(-V_{ts}V_{tb}^{*}/V_{cs}V_{cb}^{*}\right)$ and $V_{ij}$ are elements of the CKM quark flavour mixing matrix [1, *Cabibbo:1963yz]. The indirect determination via global fits to experimental data gives $2\beta_{s}=0.0364\pm 0.0016\rm\,rad$ [3]. This precise indirect determination within the SM makes the measurement of $\phi_{s}$ interesting since new physics (NP) processes could modify the phase if new particles were to contribute to the $B^{0}_{s}$–$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ box diagrams [4, 5] shown in Fig. 1. Direct measurements of $\phi_{s}$ using $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ and $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ decays have been reported previously. In the $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ channel, the decay width difference of the light (L) and heavy (H) $B^{0}_{s}$ mass eigenstates, $\Delta\Gamma_{s}\equiv\Gamma_{\mathrm{L}}-\Gamma_{\mathrm{H}}$, and the average $B^{0}_{s}$-decay width, $\Gamma_{s}=(\Gamma_{\mathrm{L}}+\Gamma_{\mathrm{H}})/2$ are also measured. The measurements of $\phi_{s}$ and $\Delta\Gamma_{s}$ are shown in Table 1. This paper extends previous LHCb measurements in the $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ [6] and $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ [7] channels. In the previous analysis of $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ decays, the invariant mass of the $K^{+}K^{-}$ system was limited to $\pm 12{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ around the $\phi(1020)$ mass [8], which selected predominately resonant P-wave $\phi\rightarrow K^{+}K^{-}$ events, although a small S-wave $K^{+}K^{-}$ component was also present. In this analysis the $K^{+}K^{-}$ mass range is extended to $\pm 30{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ and the notation $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ is used to include explicitly both P- and S-wave decays [9]. In both channels additional same-side flavour tagging information is used. The data were obtained from $pp$ collisions collected by the LHCb experiment at a centre-of- mass energy of 7$\mathrm{\,Te\kern-1.00006ptV}$ during 2011, corresponding to an integrated luminosity of $1.0\mbox{\,fb}^{-1}$. Table 1: Results for $\phi_{s}$ and $\Delta\Gamma_{s}$ from different experiments. The first uncertainty is statistical and the second is systematic (apart from the D0 result, for which the uncertainties are combined). The CDF confidence level (CL) range quoted is that consistent with other experimental measurements of $\phi_{s}$. Experiment | Dataset [$\mbox{\,fb}^{-1}$ ] | Ref. | $\phi_{s}$[$\rm\,rad$ ] | $\Delta\Gamma_{s}$[${\rm\,ps^{-1}}$ ] ---|---|---|---|--- LHCb ($B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$) | $0.4$ | [6] | $0.15\pm 0.18\pm 0.06$ | $0.123\pm 0.029\pm 0.011$ LHCb ($B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$) | $1.0$ | [7] | $-0.019\,^{+0.173+0.004}_{-0.174-0.003}$ | – LHCb (combined) | $0.4$+$1.0$ | [7] | $0.06\pm 0.12\pm 0.06$ | – ATLAS | $4.9$ | [10] | $0.22\pm 0.41\pm 0.10$ | $0.053\pm 0.021\pm 0.010$ CMS | $5.0$ | [11] | – | $0.048\pm 0.024\pm 0.003$ D0 | $8.0$ | [12] | $-0.55\,^{+0.38}_{-0.36}$ | $0.163\,^{+0.065}_{-0.064}$ CDF | $9.6$ | [13] | $[-0.60,\,0.12]$ at 68% CL | $0.068\pm 0.026\pm 0.009$ This paper is organised as follows. Section 2 presents the phenomenological aspects related to the measurement. Section 3 presents the LHCb detector. In Sect. 4 the selection of $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ candidates is described. Section 5 deals with decay time resolution, Sect. 6 with the decay time and angular acceptance effects and Sect. 7 with flavour tagging. The maximum likelihood fit is explained in Sect. 8. The results and systematic uncertainties for the $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ channel are given in Sections 9 and 10, the results for the $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ channel are given in Sect. 11 and finally the combined results are presented in Sect. 12. Charge conjugation is implied throughout the paper. ## 2 Phenomenology Figure 1: Feynman diagrams for $B^{0}_{s}$–$\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}_{s}$ mixing, within the SM. \begin{overpic}[scale={1},clip={true},trim=91.04881pt 512.1496pt 0.0pt 142.26378pt]{final_figs/tree_penguin.pdf} \put(18.0,0.0){(a) tree} \put(57.0,0.0){(b) penguin} \end{overpic} Figure 2: Feynman diagrams contributing to the decay $B^{0}_{s}\rightarrow J/\psi h^{+}h^{-}$ within the SM, where $h=\pi,K$. The $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ decay proceeds predominantly via $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ with the $\phi$ meson subsequently decaying to $K^{+}K^{-}$. In this case there are two intermediate vector particles and the $K^{+}K^{-}$ pair is in a P-wave configuration. The final state is then a superposition of $C\\!P$-even and $C\\!P$-odd states depending upon the relative orbital angular momentum of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and the $\phi$. The phenomenological aspects of this process are described in many articles, e.g., Refs. [14, 15]. The main Feynman diagrams for $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ decays are shown in Fig. 2. The effects induced by the sub-leading penguin contributions are discussed, e.g., in Ref. [16]. The same final state can also be produced with $K^{+}K^{-}$ pairs in an S-wave configuration [17]. This S-wave final state is $C\\!P$-odd. The measurement of $\phi_{s}$ requires the $C\\!P$-even and $C\\!P$-odd components to be disentangled by analysing the distribution of the reconstructed decay angles of the final-state particles. In contrast to Ref. [6], this analysis uses the decay angles defined in the helicity basis as this simplifies the angular description of the background and acceptance. The helicity angles are denoted by $\Omega=(\cos\theta_{K},\cos\theta_{\mu},\varphi_{h})$ and their definition is shown in Fig. 3. The polar angle $\theta_{K}$ ($\theta_{\mu}$) is the angle between the $K^{+}$ ($\mu^{+}$) momentum and the direction opposite to the $B^{0}_{s}$ momentum in the $K^{+}K^{-}$ ($\mu^{+}\mu^{-}$) centre-of-mass system. The azimuthal angle between the $K^{+}K^{-}$ and $\mu^{+}\mu^{-}$ decay planes is $\varphi_{h}$. This angle is defined by a rotation from the $K^{-}$ side of the $K^{+}K^{-}$ plane to the $\mu^{+}$ side of the $\mu^{+}\mu^{-}$ plane. The rotation is positive in the $\mu^{+}\mu^{-}$ direction in the $B^{0}_{s}$ rest frame. A definition of the angles in terms of the particle momenta is given in Appendix A. Figure 3: Definition of helicity angles as discussed in the text. The decay can be decomposed into four time-dependent complex amplitudes, $A_{i}(t)$. Three of these arise in the P-wave decay and correspond to the relative orientation of the linear polarisation vectors of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $\phi$ mesons, where $i\in\\{0,\parallel,\perp\\}$ and refers to the longitudinal, transverse- parallel and transverse-perpendicular orientations, respectively. The single $K^{+}K^{-}$ S-wave amplitude is denoted by $A_{\rm S}(t)$. The distribution of the decay time and angles for a $B^{0}_{s}$ meson produced at time $t=0$ is described by a sum of ten terms, corresponding to the four polarisation amplitudes and their interference terms. Each of these is given by the product of a time-dependent function and an angular function [14] $\frac{\mathrm{d}^{4}\Gamma(B^{0}_{s}\rightarrow J/\psi K^{+}K^{-})}{\mathrm{d}t\;\mathrm{d}\Omega}\;\propto\;\sum^{10}_{k=1}\>h_{k}(t)\>f_{k}(\Omega)\,.$ (1) The time-dependent functions $h_{k}(t)$ can be written as $h_{k}(t)\;=\;N_{k}e^{-\Gamma_{s}t}\>[a_{k}\cosh\left(\tfrac{1}{2}\Delta\Gamma_{s}t\right)+b_{k}\sinh\left(\tfrac{1}{2}\Delta\Gamma_{s}t\right)\\\ +c_{k}\cos(\Delta m_{s}t)\,+d_{k}\sin(\Delta m_{s}t)],$ (2) where $\Delta m_{s}{}$ is the mass difference between the heavy and light $B^{0}_{s}$ mass eigenstates. The expressions for the $f_{k}(\Omega)$ and the coefficients of Eq. 2 are given in Table 2 [18, 19]. The coefficients $N_{k}$ are expressed in terms of the $A_{i}(t)$ at $t=0$, from now on denoted as $A_{i}$. The amplitudes are parameterised by $|A_{i}|e^{i\delta_{i}}$ with the conventions $\delta_{0}=0$ and $|A_{0}|^{2}+|A_{\|}|^{2}+|A_{\perp}|^{2}=1$. The S-wave fraction is defined as $F_{\text{S}}=|A_{\rm S}|^{2}/(|A_{0}|^{2}+|A_{\|}|^{2}+|A_{\perp}|^{2}+|A_{\rm S}|^{2})=|A_{\rm S}|^{2}/(|A_{\rm S}|^{2}+1)$. Table 2: Definition of angular and time-dependent functions. $\begin{array}[]{c|c|c|c|c|c|c}k&f_{k}(\theta_{\mu},\theta_{K},\varphi_{h})&N_{k}&a_{k}&b_{k}&c_{k}&d_{k}\\\ \hline\cr\rule{0.0pt}{8.53581pt}1&2\cos^{2}\theta_{K}\sin^{2}\theta_{\mu}&|A_{0}|^{2}&1&D&C&-S\\\ 2&\sin^{2}\theta_{K}\left(1-\sin^{2}\theta_{\mu}\cos^{2}\varphi_{h}\right)&|A_{\|}|^{2}&1&D&C&-S\\\ 3&\sin^{2}\theta_{K}\left(1-\sin^{2}\theta_{\mu}\sin^{2}\varphi_{h}\right)&|A_{\perp}|^{2}&1&-D&C&S\\\ 4&\sin^{2}\theta_{K}\sin^{2}\theta_{\mu}\sin 2\varphi_{h}&|A_{\|}A_{\perp}|&C\sin(\delta_{\perp}-\delta_{\parallel})&S\cos(\delta_{\perp}-\delta_{\parallel})&\sin(\delta_{\perp}-\delta_{\parallel})&D\cos(\delta_{\perp}-\delta_{\parallel})\\\ 5&\tfrac{1}{2}\sqrt{2}\sin 2\theta_{K}\sin 2\theta_{\mu}\cos\varphi_{h}&|A_{0}A_{\|}|&\cos(\delta_{\parallel}-\delta_{0})&D\cos(\delta_{\parallel}-\delta_{0})&C\cos(\delta_{\parallel}-\delta_{0})&-S\cos(\delta_{\parallel}-\delta_{0})\\\ 6&-\frac{1}{2}\sqrt{2}\sin 2\theta_{K}\sin 2\theta_{\mu}\sin\varphi_{h}&|A_{0}A_{\perp}|&C\sin(\delta_{\perp}-\delta_{0})&S\cos(\delta_{\perp}-\delta_{0})&\sin(\delta_{\perp}-\delta_{0})&D\cos(\delta_{\perp}-\delta_{0})\\\ 7&\tfrac{2}{3}\sin^{2}\theta_{\mu}&|A_{\rm S}|^{2}&1&-D&C&S\\\ 8&\tfrac{1}{3}\sqrt{6}\sin\theta_{K}\sin 2\theta_{\mu}\cos\varphi_{h}&|A_{\rm S}A_{\|}|&C\cos(\delta_{\parallel}-\delta_{\rm S})&S\sin(\delta_{\parallel}-\delta_{\rm S})&\cos(\delta_{\parallel}-\delta_{\rm S})&D\sin(\delta_{\parallel}-\delta_{\rm S})\\\ 9&-\tfrac{1}{3}\sqrt{6}\sin\theta_{K}\sin 2\theta_{\mu}\sin\varphi_{h}&|A_{\rm S}A_{\perp}|&\sin(\delta_{\perp}-\delta_{\rm S})&-D\sin(\delta_{\perp}-\delta_{\rm S})&C\sin(\delta_{\perp}-\delta_{\rm S})&S\sin(\delta_{\perp}-\delta_{\rm S})\\\ 10&\tfrac{4}{3}\sqrt{3}\cos\theta_{K}\sin^{2}\theta_{\mu}&|A_{\rm S}A_{0}|&C\cos(\delta_{0}-\delta_{\rm S})&S\sin(\delta_{0}-\delta_{\rm S})&\cos(\delta_{0}-\delta_{\rm S})&D\sin(\delta_{0}-\delta_{\rm S})\\\ \end{array}$ For the coefficients $a_{k},\ldots,d_{k}$, three $C\\!P$ violating observables are introduced $C\;\equiv\;\frac{1-|\lambda|^{2}}{1+|\lambda|^{2}}\;,\qquad S\;\equiv\;\frac{2\Im(\lambda)}{1+|\lambda|^{2}}\;,\qquad D\;\equiv\;-\frac{2\Re(\lambda)}{1+|\lambda|^{2}}\;,$ (3) where the parameter $\lambda$ is defined below. These definitions for $S$ and $C$ correspond to those adopted by HFAG [20] and the sign of $D$ is chosen such that it is equivalent to the symbol $A^{\Delta\Gamma}_{f}$ used in Ref. [20]. The $C\\!P$-violating phase $\phi_{s}$ is defined by $\phi_{s}\equiv-\arg(\lambda)$ and hence $S$ and $D$ can be written as $S\;\equiv\;-\frac{2|\lambda|\sin{\phi_{s}}}{1+|\lambda|^{2}}\;,\qquad D\;\equiv\;-\frac{2|\lambda|\cos{\phi_{s}}}{1+|\lambda|^{2}}\;.$ (4) The parameter $\lambda$ describes $C\\!P$ violation in the interference between mixing and decay, and is derived from the $C\\!P$-violating parameter [21] associated with each polarisation state $i$ $\lambda_{i}\;\equiv\;\frac{q}{p}\;\frac{\bar{A}_{i}}{A_{i}},$ (5) where $A_{i}$ ($\bar{A}_{i}$) is the amplitude for a $B_{s}^{0}$ ($\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$) meson to decay to final state $i$ and the complex parameters $p=\langle B_{s}^{0}|B_{L}\rangle$ and $q=\langle\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}|B_{L}\rangle$ describe the relation between mass and flavour eigenstates. The polarisation states $i$ have $C\\!P$ eigenvalue $\eta_{i}=+1\>\ \text{for $i\in\\{0,\parallel\\}$}$ and $\eta_{i}=-1\>\text{for $i\in\\{\perp,{\rm S}\\}$}$. Assuming that any possible $C\\!P$ violation in the decay is the same for all amplitudes, then the product $\eta_{i}\bar{A}_{i}/A_{i}$ is independent of $i$. The polarisation-independent $C\\!P$-violating parameter $\lambda$ is then defined such that $\lambda_{i}=\eta_{i}\lambda$. The differential decay rate for a $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ meson produced at time $t=0$ can be obtained by changing the sign of $c_{k}$ and $d_{k}$ and by including a relative factor $|p/q|^{2}$. The expressions are invariant under the transformation $(\phi_{s},\Delta\Gamma_{s},\delta_{0},\delta_{\parallel},\delta_{\perp},\delta_{\rm S})\longmapsto(\pi-\phi_{s},-\Delta\Gamma_{s},-\delta_{0},-\delta_{\parallel},\pi-\delta_{\perp},-\delta_{\rm S})\>,$ (6) which gives rise to a two-fold ambiguity in the results. In the selected $\pi^{+}\pi^{-}$ invariant mass range the $C\\!P$-odd fraction of $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ decays is greater than 97.7% at 95% confidence level (CL) as described in Ref. [22]. As a consequence, no angular analysis of the decay products is required and the differential decay rate can be simplified to $\frac{\mathrm{d}\Gamma(B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-})}{\mathrm{d}t}\;\propto\;h_{7}(t).$ (7) ## 3 Detector The LHCb detector [23] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift-tubes placed downstream. The combined tracking system has momentum resolution $\Delta p/p$ that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter resolution of 20$\,\upmu\rm m$ for tracks with high transverse momentum. Charged hadrons are identified using two ring-imaging Cherenkov detectors [24]. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and pre-shower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The trigger consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage which applies a full event reconstruction [25]. Simulated $pp$ collisions are generated using Pythia 6.4 [26] with a specific LHCb configuration [27]. Decays of hadronic particles are described by EvtGen [28] in which final state radiation is generated using Photos [29]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [30, *Agostinelli:2002hh] as described in Ref. [32]. ## 4 Selection of $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ candidates The reconstruction of $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ candidates proceeds using the decays $J\\!/\\!\psi\rightarrow\mu^{+}\mu^{-}$ combined with a pair of oppositely charged kaons. Events are first required to pass a hardware trigger [25], which selects events containing muon or hadron candidates with high transverse momentum ($p_{\rm T}$). The subsequent software trigger [25] is composed of two stages, the first of which performs a partial event reconstruction. Two types of first-stage software trigger are employed. For the first type, events are required to have two well-identified oppositely-charged muons with invariant mass larger than $2.7{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$. This trigger has an almost uniform acceptance as a function of decay time and will be referred to as unbiased. For the second type there must be at least one muon (one high-$p_{\rm T}$ track) with transverse momentum larger than $1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ ($1.7{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$) and impact parameter larger than 100$\,\upmu\rm m$ with respect to the PV. This trigger introduces a non- trivial acceptance as a function of decay time and will be referred to as biased. The second stage of the trigger performs a full event reconstruction and only retains events containing a $\mu^{+}\mu^{-}$ pair with invariant mass within $120{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the $J\\!/\\!\psi$ mass [8] and which form a vertex that is significantly displaced from the PV, introducing another small decay time biasing effect. The final $B^{0}_{s}$ candidate selection is performed by applying kinematic and particle identification criteria to the final-state tracks. The $J\\!/\\!\psi$ meson candidates are formed from two oppositely-charged particles, originating from a common vertex, which have been identified as muons and which have $p_{\rm T}$ larger than 500${\mathrm{\,Me\kern-1.00006ptV\\!/}c}$. The invariant mass of the $\mu^{+}\mu^{-}$ pair, $m(\mu^{+}\mu^{-})$, must be in the range $[3030,3150]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. During subsequent steps of the selection, $m(\mu^{+}\mu^{-})$ is constrained to the $J\\!/\\!\psi$ mass [8]. The $K^{+}K^{-}$ candidates are formed from two oppositely-charged particles that have been identified as kaons and which originate from a common vertex. The $K^{+}K^{-}$ pair is required to have a $p_{\rm T}$ larger than 1${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The invariant mass of the $K^{+}K^{-}$ pair, $m(K^{+}K^{-})$, must be in the range $[990,1050]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The $B^{0}_{s}$ candidates are reconstructed by combining the $J\\!/\\!\psi$ candidate with the $K^{+}K^{-}$ pair, requiring their invariant mass $m(J\\!/\\!\psi K^{+}K^{-})$ to be in the range $[5200,5550]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The decay time, $t$, of the $B^{0}_{s}$ candidate is calculated from a vertex and kinematic fit that constrains the $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ candidate to originate from its associated PV [33]. The $\chi^{2}$ of the fit (which has 7 degrees of freedom) is required to be less than 35. Multiple $B^{0}_{s}$ candidates are found in less than $1\%$ of events; in these cases the candidate with the smallest $\chi^{2}$ is chosen. $B^{0}_{s}$ candidates are required to have decay time in the range $[0.3,14.0]{\rm\,ps}$; the lower bound on the decay time suppresses a large fraction of the prompt combinatorial background whilst having a negligible effect on the sensitivity to $\phi_{s}$. The kinematic fit evaluates an estimated decay time uncertainty, $\sigma_{t}$. Candidates with $\sigma_{t}$ larger than 0.12${\rm\,ps}$ are removed from the event sample. Figure 4: Invariant mass distribution of the selected $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ candidates. The mass of the $\mu^{+}\mu^{-}$ pair is constrained to the $J\\!/\\!\psi$ mass [8]. Curves for the fitted contributions from signal (dotted red), background (dotted green) and their combination (solid blue) are overlaid. \begin{overpic}[trim=36.98857pt 31.29802pt 22.76219pt 71.13188pt,clip={true},width=223.0721pt]{final_figs/mumuMassLin.pdf} \put(26.0,46.0){(a)} \end{overpic}\begin{overpic}[trim=36.98857pt 31.29802pt 22.76219pt 71.13188pt,clip={true},width=223.0721pt]{final_figs/KKMassLin.pdf} \put(26.0,46.0){(b)} \end{overpic} Figure 5: Background subtracted invariant mass distributions of the (a) $\mu^{+}\mu^{-}$ and (b) $K^{+}K^{-}$ systems in the selected sample of $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ candidates. The solid blue line represents the fit to the data points described in the text. Figure 4 shows the $m(J\\!/\\!\psi K^{+}K^{-})$ distribution for events originating from both the unbiased and biased triggers, along with corresponding projection of an unbinned maximum log-likelihood fit to the sample. The probability density function (PDF) used for the fit is composed of the sum of two Gaussian functions with a common mean and separate widths and an exponential function for the combinatorial background. In total, after the trigger and full offline selection requirements, there are $27\,617\pm 115$ $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ signal events found by the fit. Of these, $23\,502\pm 107$ were selected by the unbiased trigger and $4115\pm 43$ were exclusively selected by the biased trigger. The uncertainties quoted here come from propagating the uncertainty on the signal fraction evaluated by the fit. Figure 5 shows the invariant mass of the $\mu^{+}\mu^{-}$ and $K^{+}K^{-}$ pairs satisfying the selection requirements. The background has been subtracted using the sPlot [34] technique with $m(J\\!/\\!\psi K^{+}K^{-})$ as the discriminating variable. In both cases fits are also shown. For the di- muon system the fit model is a double Crystal Ball shape [35]. For the di-kaon system the total fit model is the sum of a relativistic P-wave Breit-Wigner distribution convolved with a Gaussian function to model the dominant $\phi$ meson peak and a polynomial function to describe the small $K^{+}K^{-}$ S-wave component. ## 5 Decay time resolution If the decay time resolution is not negligibly small compared to the $B^{0}_{s}$ meson oscillation period $2\pi/\Delta m_{s}\approx 350$ fs, it affects the measurement of the oscillation amplitude, and thereby $\phi_{s}$. For a given decay time resolution, $\sigma_{t}$, the dilution of the amplitude can be expressed as ${\cal D}=\exp(-\sigma_{t}^{2}\Delta m_{s}^{2}/2)$ [36]. The relative systematic uncertainty on the dilution directly translates into a relative systematic uncertainty on $\phi_{s}$. For each reconstructed candidate, $\sigma_{t}$ is estimated by the vertex fit with which the decay time is calculated. The signal distribution of $\sigma_{t}$ is shown in Fig. 6 where the sPlot technique is used to subtract the background. To account for the fact that track parameter resolutions are not perfectly calibrated and that the resolution function is not Gaussian, a triple Gaussian resolution model is constructed $R(t;\sigma_{t})\;=\;\sum_{i=1}^{3}\>\frac{f_{i}}{\sqrt{2\pi}r_{i}\sigma_{t}}\>\exp\left[-\frac{(t-d)^{2}}{2r_{i}^{2}\sigma_{t}^{2}}\right],$ (8) where $d$ is a common small offset of a few fs, $r_{i}$ are event-independent resolution scale factors and $f_{i}$ is the fraction of each Gaussian component, normalised such that $\sum f_{i}=1$. Figure 6: Decay time resolution, $\sigma_{t}$, for selected $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ signal events. The curve shows a fit to the data of the sum of two gamma distributions with a common mean. \begin{overpic}[width=227.62204pt]{final_figs/prescaled_dg_de_gausswpv_floating_zoom_linear.pdf} \end{overpic} \begin{overpic}[width=227.62204pt]{final_figs/prescaled_dg_de_gausswpv_floating.pdf} \end{overpic} Figure 7: Decay time distribution of prompt ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ candidates. The curve (solid blue) is the decay time model convolved with a Gaussian resolution model. The decay time model consists of a delta function for the prompt component and two exponential functions with different decay constants, which represent the $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ signal and long- lived background, respectively. The decay constants are determined from the fit. The same dataset is shown in both plots, on different scales. The scale factors are estimated from a sample of prompt $\mu^{+}\mu^{-}K^{+}K^{-}$ combinations that pass the same selection criteria as the signal except for those that affect the decay time distribution. This sample consists primarily of prompt combinations that have a true decay time of zero. Consequently, the shape of the decay time distribution close to zero is representative of the resolution function itself. Prompt combinations for which the muon pair originates from a real ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ meson have a better resolution than those with random muon pairs. Furthermore, fully simulated events confirm that the resolution evaluated using prompt ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\rightarrow\mu^{+}\mu^{-}$ decays with two random kaons is more representative for the resolution of $B_{s}^{0}$ signal decays than the purely combinatorial background. Consequently, in the data only ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ events are used to estimate the resolution function. These are isolated using the sPlot method to subtract the $\mu^{+}\mu^{-}$ combinatorial background. The background subtracted decay time distribution for ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ candidates is shown in Fig. 7 using linear and logarithmic scales. The distribution is characterised by a prompt peak and a tail due to ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mesons from $B$ decays. The resolution model parameters are determined by fitting the distribution with a decay time model that consists of a prompt peak and two exponential functions, convolved with the resolution model given in Eq. 8. The per-event resolution receives contributions both from the vertex resolution and from the momentum resolution. The latter contribution is proportional to the decay time and cannot be calibrated with the prompt ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ control sample. When using a scale factor for the resolution there is an assumption that the vertex contribution and the momentum contribution have a common scale. This assumption is tested in simulations and a systematic uncertainty is assigned. The effective dilution of the resolution function is calculated by taking its Fourier transform calculated at frequency $\Delta m_{s}$ [36] ${\cal D}\;=\;\int_{-\infty}^{\infty}{\rm d}t\;\cos(\Delta m_{s}t)\>R(t;\sigma_{t}).$ (9) Taking into account the distribution of the per-event resolution, the effective dilution for the calibrated resolution model is $0.72\pm 0.02$. This dilution corresponds to an effective single Gaussian resolution of approximately 45 fs. The systematic uncertainty accounts for uncertainties due to the momentum resolution scale and other differences between the control sample and signal decays. It is derived from simulations. The sample used to extract the physics parameters of interest consists only of events with $t>0.3$ ps. The observed decay time distribution of these events is not sensitive to details of the resolution function. Therefore, in order to simplify the fit procedure the resolution function for the final fit (described in Sect. 8) is modelled with a single Gaussian distribution with a resolution scale factor, $r_{t}$, chosen such that its effective dilution corresponds to that of the multiple Gaussian model. This scale factor is $r_{t}=1.45\pm 0.06$. ## 6 Acceptance There are two distinct decay time acceptance effects that influence the $B^{0}_{s}$ decay time distribution. First, there is a decrease in reconstruction efficiency for tracks with a large impact parameter with respect to the beam line. This effect is present both in the trigger and the offline reconstruction, and translates to a decrease in the $B^{0}_{s}$ meson reconstruction efficiency as a function of its decay time. This decrease is parameterised by a linear acceptance function $\varepsilon_{t}(t)\propto(1+\beta t)$, which multiplies the time dependent $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ PDF described below. The parameterisation is determined using a control sample of $B^{\pm}\rightarrow J\\!/\\!\psi K^{\pm}$ events from data and simulated $B^{0}_{s}\\!\rightarrow J\\!/\\!\psi\phi$ events, leading to $\beta=(-8.3\pm 4.0)\times 10^{-3}{\rm\,ps^{-1}}$. The uncertainty directly translates to a $4.0\times 10^{-3}{\rm\,ps^{-1}}$ systematic uncertainty on $\Gamma_{s}$. Secondly, a non-trivial decay time acceptance is introduced by the trigger selection. Binned functional descriptions of the acceptance for the unbiased and biased triggers are obtained from the data by exploiting the sample of $B^{0}_{s}$ candidates that are also selected by a trigger that has no decay time bias, but was only used for a fraction of the recorded data. Figure 8 shows the corresponding acceptance functions that are included in the fit described in Sect. 8. \begin{overpic}[width=227.62204pt]{final_figs/Bs_HltPropertimeAcceptance_PhiMassWindow30MeV_NextBestPVCut_Data_40bins_AlmostUnbiased.pdf} \put(66.0,34.0){(a)} \end{overpic} \begin{overpic}[width=227.62204pt]{final_figs/Bs_HltPropertimeAcceptance_PhiMassWindow30MeV_NextBestPVCut_Data_40bins_ExclusivelyBiased.pdf} \put(66.0,34.0){(b)} \end{overpic} Figure 8: $B^{0}_{s}$ decay time trigger-acceptance functions obtained from data. The unbiased trigger category is shown on (a) an absolute scale and (b) the biased trigger category on an arbitrary scale. The acceptance as a function of the decay angles is not uniform due to the forward geometry of LHCb and the requirements placed upon the momenta of the final-state particles. The three-dimensional acceptance function, $\varepsilon_{\Omega}$, is determined using simulated events which are subjected to the same trigger and selection criteria as the data. Figure 9 shows the angular efficiency as a function of each decay angle, integrated over the other angles. The relative acceptances vary by up to 20% peak-to- peak. The dominant effect in $\cos\theta_{\mu}$ is due to the $p_{\rm T}$ cuts applied to the muons. The acceptance is included in the unbinned maximum log-likelihood fitting procedure to signal weighted distributions (described in Sect. 8). Since only a PDF to describe the signal is required, the acceptance function needs to be included only in the normalisation of the PDF through the ten integrals $\int\mathrm{d}\Omega\,\varepsilon_{\Omega}(\Omega)\,f_{k}(\Omega)$. The acceptance factors for each event $i$, $\varepsilon_{\Omega}(\Omega_{i})$, appear only as a constant sum of logarithms and may be ignored in the likelihood maximisation. The ten integrals are determined from the fully simulated events using the procedure described in Ref. [37]. \begin{overpic}[trim=128.0374pt 36.98857pt 54.06023pt 91.04881pt,clip={true},width=145.68143pt]{final_figs/angEffIntBinsCtk} \put(70.0,67.0){\small(a)} \end{overpic}\begin{overpic}[trim=128.0374pt 36.98857pt 54.06023pt 91.04881pt,clip={true},width=145.68143pt]{final_figs/angEffIntBinsCtl}\put(70.0,67.0){\small(b)} \end{overpic}\begin{overpic}[trim=128.0374pt 36.98857pt 54.06023pt 91.04881pt,clip={true},width=145.68143pt]{final_figs/angEffIntBinsPhi} \put(70.0,67.0){\small(c)} \end{overpic} Figure 9: Angular acceptance function evaluated with simulated $B^{0}_{s}\\!\rightarrow J\\!/\\!\psi\phi$ events, scaled by the mean acceptance. The acceptance is shown as a function of (a) $\cos\theta_{K}$, (b) $\cos\theta_{\mu}$ and (c) $\varphi_{h}$, where in all cases the acceptance is integrated over the other two angles. The points are obtained by summing the inverse values of the underlying physics PDF for simulated events and the curves represent a polynomial parameterisation of the acceptance. ## 7 Tagging the $B^{0}_{s}$ flavour at production Each reconstructed candidate is identified by flavour tagging algorithms as either a $B^{0}_{s}$ meson ($q=+1$) or a $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ meson ($q=-1$) at production. If the algorithms are unable to make a decision, the candidate is untagged ($q=0$). The tagging decision, $q$, is based upon both opposite-side and same-side tagging algorithms. The opposite-side (OS) tagger relies on the pair production of $b$ and $\overline{}b$ quarks and infers the flavour of the signal $B^{0}_{s}$ meson from identification of the flavour of the other $b$-hadron. The OS tagger uses the charge of the lepton ($\mu$, $e$) from semileptonic $b$ decays, the charge of the kaon from the $b\rightarrow c\rightarrow s$ decay chain and the charge of the inclusive secondary vertex reconstructed from $b$-hadron decay products. The same-side kaon (SSK) tagger exploits the hadronization process of the $\overline{b}$($b$) quark forming the signal $B_{s}^{0}$($\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$) meson. In events with a $B^{0}_{s}$ candidate, the fragmentation of a $\overline{}b$ quark can lead to an extra $\overline{}s$ quark being available to form a hadron, often leading to a charged kaon. This kaon is correlated to the signal $B^{0}_{s}$ in phase space and the sign of the charge identifies its initial flavour. The probability that the tagging determination is wrong (estimated wrong-tag probability, $\eta$) is based upon the output of a neural network trained on simulated events. It is subsequently calibrated with data in order to relate it to the true wrong-tag probability of the event, $\omega$, as described below. The tagging decision and estimated wrong-tag probability are used event-by- event in order to maximise the tagging power, ${\varepsilon_{\rm tag}}{\cal D}^{2}$, which represents the effective reduction of the signal sample size due to imperfect tagging. In this expression $\varepsilon_{\rm tag}$ is the tagging efficiency, i.e., the fraction of events that are assigned a non-zero value of $q$, and ${\cal D}=1-2\omega$ is the dilution. ### 7.1 Opposite side tagging The OS tagging algorithms and the procedure used to optimise and calibrate them are described in Ref. [38]. In this paper the same approach is used, updated to use the full 2011 data set. Calibration of the estimated wrong-tag probability, $\eta$, is performed using approximately 250 000 $B^{+}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ events selected from data. The values of $q$ and $\eta$ measured by the OS taggers are compared to the known flavour, which is determined by the charge of the final state kaon. Figure 10 shows the average wrong tag probability in the $B^{\pm}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{\pm}$ control channel in bins of $\eta$. For calibration purposes a linear relation is assumed $\displaystyle\omega(\eta)$ $\displaystyle=$ $\displaystyle p_{0}+\frac{\Delta p_{0}}{2}+p_{1}(\eta-\langle\eta\rangle)\,,$ (10) $\displaystyle\overline{}\omega(\eta)$ $\displaystyle=$ $\displaystyle p_{0}-\frac{\Delta p_{0}}{2}+p_{1}(\eta-\langle\eta\rangle)\,,$ where $\omega(\eta)$ and $\overline{}\omega(\eta)$ are the calibrated probabilities for wrong-tag assignment for $B$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}$ mesons, respectively. This parametrisation is chosen to minimise the correlation between the parameters $p_{0}$ and $p_{1}$. The resulting values of the calibration parameters $p_{0}$, $p_{1}$, $\Delta p_{0}$ and $\langle\eta\rangle$ (the mean value of $\eta$ in the sample) are given in Table 3. The systematic uncertainties for $p_{0}$ and $p_{1}$ are determined by comparing the tagging performance for different decay channels, comparing different data taking periods and by modifying the assumptions of the fit model. The asymmetry parameter $\Delta p_{0}$ is obtained by performing the calibration separately for $B^{+}$ and $B^{-}$ decays. No significant difference of the tagging efficiency or of $p_{1}$ is measured ($\Delta{\varepsilon_{\rm tag}}=(0.00\pm 0.10)$%, $\Delta p_{1}=0.06\pm 0.04$). Figure 10 shows the relation between $\omega$ and $\eta$ for the full data sample. The overall effective OS tagging power for $B^{0}_{s}\rightarrow J/\psi K^{+}K^{-}$ candidates is ${{\varepsilon_{\rm tag}}{\cal D}^{2}}=(2.29\pm 0.06)$%, with an efficiency of ${\varepsilon_{\rm tag}}=(33.00\pm 0.28)$% and an effective average wrong-tag probability of $(36.83\pm 0.15)$% (statistical uncertainties only). Figure 10: Average measured wrong-tag probability ($\omega$) versus estimated wrong-tag probability ($\eta$) calibrated on $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$ signal events for the OS tagging combinations for the background subtracted events in the signal mass window. Points with errors are data, the red curve represents the result of the wrong-tag probability calibration, corresponding to the parameters of Table 3. Table 3: Calibration parameters ($p_{0}$, $p_{1}$,$\langle\eta\rangle$ and $\Delta p_{0}$) corresponding to the OS and SSK taggers. The uncertainties are statistical and systematic, respectively, except for $\Delta p_{0}$ where they have been added in quadrature. Calibration | $p_{0}$ | $p_{1}$ | $\langle\eta\rangle$ | $\Delta p_{0}$ ---|---|---|---|--- OS | $0.392\pm 0.002\pm 0.008$ | $1.000\pm 0.020\pm 0.012$ | $0.392$ | +$0.011\pm 0.003$ SSK | $0.350\pm 0.015\pm 0.007$ | $1.000\pm 0.160\pm 0.020$ | $0.350$ | $-0.019\pm 0.005$ ### 7.2 Same side kaon tagging One of the improvements introduced in this analysis compared to Ref. [6] is the use of the SSK tagger. The SSK tagging algorithm was developed using large samples of simulated $B^{0}_{s}$ decays to $D^{-}_{s}\pi^{+}$ and ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ and is documented in Ref. [39]. The algorithm preferentially selects kaons originating from the fragmentation of the signal $B^{0}_{s}$ meson, and rejects particles that originate either from the opposite-side $B$ decay or the underlying event. For the optimisation, approximately 26 000 $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ data events are used. The same fit procedure employed to determine the $B^{0}_{s}$ mixing frequency $\Delta m_{s}$ [40] is used to maximise the effective tagging power ${\varepsilon_{\rm tag}}{\cal D}^{2}$. The calibration was also performed using $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ events and assuming the same linear relation given by Eq. 10. The resulting values of the calibration parameters ($p_{0},p_{1},\Delta p_{0}$) are given in the second row of Table 3. In contrast to the OS tagging case, it is more challenging to measure $p_{0}$ and $p_{1}$ separately for true $B$ or $\kern 1.79993pt\overline{\kern-1.79993ptB}{}$ mesons at production using $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ events. Therefore, assuming that any tagging asymmetry is caused by the difference in interaction with matter of $K^{+}$ and $K^{-}$, $\Delta p_{0}$ is estimated using $B^{+}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{-}$, where the $p$ and $p_{\rm T}$ distributions of the OS tagged kaons are first reweighted to match those of SSK tagged kaons from a large sample of fully simulated $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ events. The effective SSK tagging power for $B^{0}_{s}\rightarrow J/\psi K^{+}K^{-}$ events is ${{\varepsilon_{\rm tag}}{\cal D}^{2}}=(0.89\pm 0.17)$% and the tagging efficiency is ${\varepsilon_{\rm tag}}=(10.26\pm 0.18)$% (statistical uncertainties only). ### 7.3 Combination of OS and SSK tagging Only a small fraction of tagged events are tagged by both the OS and the SSK algorithms. The algorithms are uncorrelated as they select mutually exclusive charged particles, either in terms of the impact parameter significance with respect to the PV, or in terms of the particle identification requirements. The two tagging results are combined taking into account both decisions and their corresponding estimate of $\eta$. The combined estimated wrong-tag probability and the corresponding uncertainties are obtained by combining the individual calibrations for the OS and SSK tagging and propagating their uncertainties according to the procedure defined in Ref. [38]. To simplify the fit implementation, the statistical and systematic uncertainties on the combined wrong-tag probability are assumed to be the same for all of these events. They are defined by the average values of the corresponding distributions computed event-by-event. The effective tagging power for these OS+SSK tagged events is ${{\varepsilon_{\rm tag}}{\cal D}^{2}}=(0.51\pm 0.03)$%, and the tagging efficiency is ${\varepsilon_{\rm tag}}=(3.90\pm 0.11)$%. ### 7.4 Overall tagging performance The overall effective tagging power obtained by combining all three categories is ${{\varepsilon_{\rm tag}}{\cal D}^{2}}=(3.13\pm 0.12\pm 0.20)$%, the tagging efficiency is ${\varepsilon_{\rm tag}}=(39.36\pm 0.32)$% and the wrong-tag probability is $\omega=35.9$%. Figure 11 shows the distributions of the estimated wrong-tag probability $\eta$ of the $B^{0}_{s}\rightarrow J/\psi K^{+}K^{-}$ signal events obtained with the sPlot technique using $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-})$ as the discriminating variable. \begin{overpic}[angle={0},width=204.85844pt]{final_figs/eta_OS.pdf} \put(30.0,55.0){(a)} \end{overpic}\begin{overpic}[angle={0},width=204.85844pt]{final_figs/eta_SSK.pdf} \put(30.0,55.0){(b)} \end{overpic} Figure 11: Distributions of the estimated wrong-tag probability, $\eta$, of the $B^{0}_{s}\rightarrow J/\psi K^{+}K^{-}$ signal events obtained using the sPlot method on the $J\\!/\\!\psi K^{+}K^{-}$ invariant mass distribution. Both the (a) OS-only and (b) SSK-only tagging categories are shown. ## 8 Maximum likelihood fit procedure Each event is given a signal weight, $W_{i}$, using the sPlot [34] method with $m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-})$ as the discriminating variable. A weighted fit is then performed using a signal-only PDF, denoted by ${\cal S}$, the details of which are described below. The joint negative log likelihood, ${\cal L}$ constructed as $-\ln{\cal L}=-\alpha\sum_{\mathrm{events}\;i}{W_{i}\ln{{\cal S}}},$ (11) is minimised in the fit, where the factor $\alpha=\sum_{i}W_{i}/\sum_{i}W_{i}^{2}$ is used to include the effect of the weights in the determination of the uncertainties [41]. ### 8.1 The mass model used for weighting The signal mass distribution, ${\cal S}_{m}(m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-});m_{B^{0}_{s}},\sigma_{m},r_{21},f_{1})$, is modelled by a double Gaussian function. The free parameters in the fit are the common mean, $m_{B^{0}_{s}}$, the width of the narrower Gaussian function, $\sigma_{m}$, the ratio of the second to the first Gaussian width, $r_{21}$, and the fraction of the first Gaussian, $f_{1}$. The background mass distribution, ${\cal B}_{m}(m({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}))$ is modelled by an exponential function. The full PDF is then constructed as ${\cal P}_{m}=f_{s}\;{\cal S}_{m}+(1-f_{s})\;{\cal B}_{m},$ (12) where $f_{s}$ is the signal fraction. Fig. 4 shows the result of fitting this model to the selected candidates. ### 8.2 Dividing the data into bins of $m(K^{+}K^{-})$ The events selected for this analysis are within the $m(K^{+}K^{-})$ range $[990,1050]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The data are divided into six independent sets, where the boundaries are given in Table 4. Binning the data this way leads to an improvement in statistical precision by separating events with different signal fractions and the analysis becomes insensitive to correction factors which must be applied to each of the three S-wave interference terms in the differential decay rate ($f_{8},f_{9},f_{10}$ in Table 2). These terms are required to account for an averaging effect resulting from the variation within each bin of the S-wave line-shape (assumed to be approximately uniform) relative to that of the P-wave (a relativistic Breit-Wigner function). In each bin, the correction factors are calculated by integrating the product of $p$ with $s^{*}$ which appears in the interference terms between the P- and S-wave, where $p$ and $s$ are the normalised $m(K^{+}K^{-})$ lineshapes and ∗ is the complex conjugation operator, $\int_{m^{L}}^{m^{H}}{ps^{*}}\>\>{\rm d}m(K^{+}K^{-})=C_{\rm SP}e^{-i\theta_{\rm SP}},$ (13) where $[m^{L},m^{H}]$ denotes the boundaries of the $m(K^{+}K^{-})$ bin, $C_{\rm SP}$ is the correction factor and $\theta_{\rm SP}$ is absorbed in the measurements of $\delta_{\rm S}-\delta_{\perp}$. The $C_{\rm SP}$ correction factors are given in Table 4. By using several bins these factors are close to one, whereas if only a single bin were used the correction would differ substantially from one. The effect of these factors on the fit results is very small and is discussed further in Sect. 10, where a different S-wave lineshape is considered. Binning the data in $m(K^{+}K^{-})$ allows a repetition of the procedure described in Ref. [42] to resolve the ambiguous solution described in Sect. 1 by inspecting the trend in the phase difference between the S- and P-wave components. Table 4: Bins of $m(K^{+}K^{-})$ used in the analysis and the $C_{\rm SP}$ correction factors for the S-wave interference term, assuming a uniform distribution of non-resonant $K^{+}K^{-}$ contribution and a non-relativistic Breit-Wigner shape for the decays via the $\phi$ resonance. $m(K^{+}K^{-})$ bin [${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ ] | $C_{\rm SP}$ ---|--- 0990 – 1008 | 0.966 1008 – 1016 | 0.956 1016 – 1020 | 0.926 1020 – 1024 | 0.926 1024 – 1032 | 0.956 1032 – 1050 | 0.966 The weights, $W_{i}$, are determined by performing a simultaneous fit to the $m(J\\!/\\!\psi K^{+}K^{-})$ distribution in each of the $m(K^{+}K^{-})$ bins, using a common set of signal mass parameters and six independent background mass parameters. This fit is performed for $m(J\\!/\\!\psi K^{+}K^{-})$ in the range $[5200,5550]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ and the results for the signal mass parameters are shown in Table 5. Table 5: Parameters of the common signal fit to the $m(J\\!/\\!\psi K^{+}K^{-})$ distribution in data. Parameter | Value ---|--- $m_{B^{0}_{s}}$ [${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ ] | $5368.22\phantom{0}\pm 0.05$ $\sigma_{m}$ [${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ ] | $\phantom{000}6.08\phantom{0}\pm 0.13$ $f_{1}$ | $\phantom{0000}0.760\pm 0.035$ $r_{21}$ | $\phantom{000}2.07\phantom{0}\pm 0.09$ ### 8.3 The signal PDF The physics parameters of interest in this analysis are $\Gamma_{s}$, $\Delta\Gamma_{s}$, $|A_{0}|^{2}$, $|A_{\perp}|^{2}$, $F_{\text{S}}$, $\delta_{\parallel}$, $\delta_{\perp}$, $\delta_{\rm S}$, $\phi_{s}$, $|\lambda|$ and $\Delta m_{s}$, all of which are defined in Sect. 2. The signal PDF, ${\cal S}$, is a function of the decay time, $t$, and angles, $\Omega$, and is conditional upon the estimated wrong-tag probability for the event, $\eta$, and the estimate of the decay time resolution for the event, $\sigma_{t}$. The data are separated into disjoint sets corresponding to each of the possible tagging decisions $q\in\\{-1,0,+1\\}$ and the unbiased and biased trigger samples. A separate signal PDF, ${\cal S}_{q}(t,\Omega|\sigma_{t},\eta;Z,N)$, is constructed for each event set, where $Z$ represents the physics parameters and $N$ represents nuisance parameters described above. The ${\cal S}_{q}$ are constructed from the differential decay rates of $B^{0}_{s}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mesons described in Sect. 2. Denoting $\frac{\mathrm{d}^{4}\Gamma(B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}KK)}{\mathrm{d}t\;\mathrm{d}\Omega}$ by $X$ and $\frac{\mathrm{d}^{4}\Gamma(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}KK)}{\mathrm{d}t\;\mathrm{d}\Omega}$ by $\overline{X}$, then ${\cal S}_{q}=\frac{s_{q}}{\int s_{q}\>\mathrm{d}t\;\mathrm{d}\Omega},\\\ $ (14) where $\displaystyle s_{+1}$ $\displaystyle=$ $\displaystyle\Big{[}[\>(1-\omega)\;X(t,\Omega;Z)+\bar{\omega}\;\overline{X}(t,\Omega;Z)\>]\otimes R(t;\sigma_{t})\Big{]}\;\varepsilon_{t}(t)\;\varepsilon_{\Omega}(\Omega),$ $\displaystyle s_{-1}$ $\displaystyle=$ $\displaystyle\Big{[}[\>\omega\;X(t,\Omega;Z)+(1-\bar{\omega})\;\overline{X}(t,\Omega;Z)\>]\otimes R(t;\sigma_{t})\Big{]}\;\varepsilon_{t}(t)\;\varepsilon_{\Omega}(\Omega),$ (15) $\displaystyle s_{0}$ $\displaystyle=$ $\displaystyle\frac{1}{2}\Big{[}[\>X(t,\Omega;Z)+\overline{X}(t,\Omega;Z)\>]\otimes R(t;\sigma_{t})\Big{]}\;\varepsilon_{t}(t)\;\varepsilon_{\Omega}(\Omega).\ $ Asymmetries in the tagging efficiencies and relative magnitudes of the production rates for $B^{0}_{s}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mesons, as well as the factor $|p/q|^{2}$ are not included in the model. Sensitivity to these effects is reduced by the use of separately normalised PDFs for each of the tagging decisions and any residual effect is shown to be negligible. All physics parameters are free in the fit apart from $\Delta m_{s}$, which is constrained to the value measured by LHCb of $17.63\pm 0.11{\rm\,ps^{-1}}$ [40]. The parameter $\delta_{\rm S}-\delta_{\perp}$ is used in the minimisation instead of $\delta_{\rm S}$ as there is a large (90%) correlation between $\delta_{\rm S}$ and $\delta_{\perp}$. In these expressions the terms $\omega$ and $\overline{\omega}$ represent the wrong-tag probabilities for a candidate produced as a genuine $B^{0}_{s}$ or $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ meson, respectively, and are a function of $\eta$ and the (nuisance) calibration parameters $(p_{1},p_{0},\langle\eta\rangle,\Delta p_{0})$ as given in Eq. 10. The calibration parameters are given in Table 3 and are all included in the fit via Gaussian constraints with widths equal to their uncertainties. The expressions are convolved with the decay time resolution function, $R(t;\sigma_{t})$ (Sect. 5). The scale factor parameter, $r_{t}$, is included in the fit with its value constrained by a Gaussian constraint with width equal to its uncertainty. The $\varepsilon_{t}(t)$ and $\varepsilon_{\Omega}(\Omega)$ terms are the decay time acceptance and decay- angle acceptance, respectively. The two different trigger samples have different decay time acceptance functions. These are described in Sect. 6. Since this weighted fit uses only a signal PDF there is no need to include the distributions of either the estimated wrong tag probability, $\eta$, or the decay time resolution for each event, $\sigma_{t}$. The physics parameter estimation is then performed by a simultaneous fit to the weighted data in each of the $m(K^{+}K^{-})$ bins for each of the two trigger samples. All parameters are common, except for the S-wave fraction $F_{\rm S}$ and the phase difference $\delta_{\rm S}-\delta_{\perp}$, which are independent parameters for each range. ## 9 Results for $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ decays The results of the fit for the principal physics parameters are given in Table 6 for the solution with $\Delta\Gamma_{s}>0$, showing both the statistical and the total systematic uncertainties described in Sect. 10. The statistical correlation matrix is shown in Table 7. The projections of the decay time and angular distributions are shown in Fig. 12. It was verified that the observed uncertainties are compatible with the expected sensitivities, by generating and fitting to a large number of simulated experiments. Figure 13 shows the 68%, 90% and 95% CL contours obtained from the two- dimensional profile likelihood ratio in the ($\Delta\Gamma_{s}$, $\phi_{s}$) plane, corresponding to decreases in the log-likelihood of 1.15, 2.30 and 3.00 respectively. Only statistical uncertainties are included. The SM expectation [43, *Badin:2007bv, *Lenz:2011ti] is shown. The results for the S-wave parameters are shown in Table 8. The likelihood profiles for these parameters are non-parabolic and are asymmetric. Therefore the 68% CL intervals obtained from the likelihood profiles, corresponding to a decrease of 0.5 in the log-likelihood, are reported. The variation of $\delta_{\rm S}-\delta_{\perp}$ with $m(K^{+}K^{-})$ is shown in Fig. 14. The decreasing trend confirms that expected for the physical solution with $\phi_{s}$ close to zero, as found in Ref. [42]. All results have been checked by splitting the dataset into sub-samples to compare different data taking periods, magnet polarities, $B^{0}_{s}$-tags and trigger categories. In all cases the results are consistent between the independent sub-samples. The measurements of $\phi_{s}$, $\Delta\Gamma_{s}$ and $\Gamma_{s}$ are the most precise to date. Both $\Delta\Gamma_{s}$ and $\phi_{s}$ agree well with the SM expectation [3, 43]. These data also allow an independent measurement of $\Delta m_{s}$ without constraining it to the value reported in Ref. [40]. This is possible because there are several terms in the differential decay rate of Eq. 1, principally $h_{4}$ and $h_{6}$, which contain sinusoidal terms in $\Delta m_{s}t$ that are not multiplied by $\sin\phi_{s}$. Figure 15 shows the likelihood profile as a function of $\Delta m_{s}$ from a fit to the data where $\Delta m_{s}$ is not constrained. The result of the fit gives $\Delta m_{s}=17.70\pm 0.10\;\text{(stat)}\pm 0.01\;\text{(syst)${\rm\,ps^{-1}}$},$ which is consistent with other measurements [40, 46, 47, 48]. Table 6: Results of the maximum likelihood fit for the principal physics parameters. The first uncertainty is statistical and the second is systematic. The value of $\Delta m_{s}$ was constrained to the measurement reported in Ref. [40]. The evaluation of the systematic uncertainties is described in Sect. 10. Parameter Value $\Gamma_{s}$ [${\rm\,ps^{-1}}$ ] $0.663\pm 0.005\pm 0.006$ $\Delta\Gamma_{s}$ [${\rm\,ps^{-1}}$ ] $0.100\pm 0.016\pm 0.003$ $|A_{\perp}|^{2}$ $0.249\pm 0.009\pm 0.006$ $|A_{0}|^{2}$ $0.521\pm 0.006\pm 0.010$ $\delta_{\parallel}$ [rad] $3.30\,^{+0.13}_{-0.21}\pm 0.08$ $\delta_{\perp}$ [rad] $3.07\pm 0.22\pm 0.08$ $\phi_{s}$ [rad] $0.07\pm 0.09\pm 0.01$ $|\lambda|$ $0.94\pm 0.03\pm 0.02$ Table 7: Correlation matrix for the principal physics parameters. | $\Gamma_{s}$ | $\Delta\Gamma_{s}$ | $|A_{\perp}|^{2}$ | $|A_{0}|^{2}$ | $\delta_{\parallel}$ | $\delta_{\perp}$ | $\phi_{s}$ | $|\lambda|$ ---|---|---|---|---|---|---|---|--- | [${\rm\,ps^{-1}}$ ] | [${\rm\,ps^{-1}}$ ] | | | [rad] | [rad] | [rad] | $\Gamma_{s}$ [${\rm\,ps^{-1}}$ ] | $\phantom{+}1.00$ | ${-0.39}$ | $\phantom{+}{0.37}$ | ${-0.27}$ | $-0.09$ | $-0.03$ | $\phantom{+}0.06$ | $\phantom{+}0.03$ $\Delta\Gamma_{s}$ [${\rm\,ps^{-1}}$ ] | | $\phantom{+}1.00$ | ${-0.68}$ | $\phantom{+}{0.63}$ | $\phantom{+}0.03$ | $\phantom{+}0.04$ | $-0.04$ | $\phantom{+}0.00$ $|A_{\perp}|^{2}$ | | | $\phantom{+}1.00$ | ${-0.58}$ | ${-0.28}$ | $-0.09$ | $\phantom{+}0.08$ | $-0.04$ $|A_{0}|^{2}$ | | | | $\phantom{+}1.00$ | $-0.02$ | $-0.00$ | $-0.05$ | $\phantom{+}0.02$ $\delta_{\parallel}$ [rad] | | | | | $\phantom{+}1.00$ | $\phantom{+}{0.32}$ | $-0.03$ | $\phantom{+}0.05$ $\delta_{\perp}$ [rad] | | | | | | $\phantom{+}1.00$ | $\phantom{+}{0.28}$ | $\phantom{+}0.00$ $\phi_{s}$ [rad] | | | | | | | $\phantom{+}1.00$ | $\phantom{+}0.04$ $|\lambda|$ | | | | | | | | $\phantom{+}1.00$ Figure 12: Decay-time and helicity-angle distributions for $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ decays (data points) with the one-dimensional projections of the PDF at the maximal likelihood point. The solid blue line shows the total signal contribution, which is composed of $C\\!P$-even (long-dashed red), $C\\!P$-odd (short-dashed green) and S-wave (dotted-dashed purple) contributions. Figure 13: Two-dimensional profile likelihood in the ($\Delta\Gamma_{s}$, $\phi_{s}$) plane for the $B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ dataset. Only the statistical uncertainty is included. The SM expectation of $\Delta\Gamma_{s}=0.087\pm 0.021{\rm\,ps^{-1}}$ and $\phi_{s}=-0.036\pm 0.002\rm\,rad$ is shown as the black point with error bar [3, 43]. Figure 14: Variation of $\delta_{\rm S}-\delta_{\perp}$ with $m(K^{+}K^{-})$ where the uncertainties are the quadrature sum of the statistical and systematic uncertainties in each bin. The decreasing phase trend (blue circles) corresponds to the physical solution with $\phi_{s}$ close to zero and $\Delta\Gamma_{s}>0$. The ambiguous solution is also shown. Table 8: Results of the maximum likelihood fit for the S-wave parameters, with asymmetric statistical and symmetric systematic uncertainties. The evaluation of the systematic uncertainties is described in Sect. 10. $m(K^{+}K^{-})$ bin [${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ ] | Parameter | Value | $\sigma_{\text{stat}}$ (asymmetric) | $\sigma_{\text{syst}}$ ---|---|---|---|--- $\phantom{0}990-1008$ | $F_{\text{S}}$ | 0.227 | ${+0.081},{-0.073}$ | 0.020 | $\delta_{\rm S}-\delta_{\perp}$ [rad] | 1.31 | $+0.78,-0.49$ | 0.09 $1008-1016$ | $F_{\text{S}}$ | 0.067 | $+0.030,-0.027$ | 0.009 | $\delta_{\rm S}-\delta_{\perp}$ [rad] | 0.77 | $+0.38,-0.23$ | 0.08 $1016-1020$ | $F_{\text{S}}$ | 0.008 | $+0.014,-0.007$ | 0.005 | $\delta_{\rm S}-\delta_{\perp}$ [rad] | 0.51 | $+1.40,-0.30$ | 0.20 $1020-1024$ | $F_{\text{S}}$ | 0.016 | $+0.012,-0.009$ | 0.006 | $\delta_{\rm S}-\delta_{\perp}$ [rad] | $-0.51$ | $+0.21,-0.35$ | 0.15 $1024-1032$ | $F_{\text{S}}$ | 0.055 | $+0.027,-0.025$ | 0.008 | $\delta_{\rm S}-\delta_{\perp}$ [rad] | $-0.46$ | $+0.18,-0.26$ | 0.05 $1032-1050$ | $F_{\text{S}}$ | 0.167 | $+0.043,-0.042$ | 0.021 | $\delta_{\rm S}-\delta_{\perp}$ [rad] | $-0.65$ | $+0.18,-0.22$ | 0.06 Figure 15: Profile likelihood for $\Delta m_{s}$ from a fit where $\Delta m_{s}$ is unconstrained. ## 10 Systematic uncertainties for $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ decays The parameters $\Delta m_{s}$, the tagging calibration parameters, and the event-by-event proper time scaling factor, $r_{t}$, are all allowed to vary within their uncertainties in the fit. Therefore the systematic uncertainties from these sources are included in the statistical uncertainty on the physics parameters. The remaining systematic effects are discussed below and summarised in Tables 9, 10 and 11. The parameters of the $m(J\\!/\\!\psi K^{+}K^{-})$ fit model are varied within their uncertainties and a new set of event weights are calculated. Repeating the full decay time and angular fit using the new weights gives negligible differences with respect to the results of the nominal fit. The assumption that $m(J\\!/\\!\psi K^{+}K^{-})$ is independent of the decay time and angle variables is tested by re-evaluating the weights in bins of the decay time and angles. Repeating the full fit with the modified weights gives new estimates of the physics parameter values in each bin. The total systematic uncertainty is computed from the square root of the sum of the individual variances, weighted by the number of signal events in each bin in cases where a significant difference is observed. Using simulated events, the only identified peaking background is from $B^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*}(892)^{0}$ events where the pion from the $K^{*}(892)^{0}$ decay is misidentified as a kaon. The fraction of this contribution was estimated from the simulation to be at most 1.5% for $m(J\\!/\\!\psi K^{+}K^{-})$ in the range $[5200,5550]{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The effect of this background (which is not included in the PDF modelling) was estimated by embedding the simulated $B^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*}(892)^{0}$ events in the signal sample and repeating the fit. The resulting variations are taken as systematic uncertainties. The contribution of $B^{0}_{s}$ mesons coming from the decay of $B_{c}^{+}$ mesons is estimated to be negligible. Since the angular acceptance function, $\varepsilon_{\Omega}$, is determined from simulated events, it is important that the simulation gives a good description of the dependence of final-state particle efficiencies on their kinematic properties. Figure 16 shows significant discrepancies between simulated $B_{s}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ events and selected $B_{s}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ data events where the background has been subtracted. To account for this difference the simulated events are re-weighted such that the kaon momentum distribution matches the data (re-weighting the muon momentum has negligible effect). A systematic uncertainty is estimated by determining $\varepsilon_{\Omega}$ after this re-weighting and repeating the fit. The changes observed in physics parameters are taken as systematic uncertainties. A systematic uncertainty is included which arises from the limited size of the simulated data sample used to determine $\varepsilon_{\Omega}$. \begin{overpic}[width=186.65173pt]{final_figs/pk_paper.pdf} \put(64.0,41.0){(a)} \end{overpic}\begin{overpic}[width=186.65173pt]{final_figs/pmu_paper.pdf} \put(64.0,41.0){(b)} \end{overpic} Figure 16: Background-subtracted (a) kaon and (b) muon momentum distributions for $B_{s}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}K^{-}$ signal events in data compared to simulated $B_{s}^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ signal events. The distributions are normalised to the same area. A larger deviation is visible for kaons. The lower decay time acceptance is included in the PDF using the binned functions described in Sect. 6. A systematic uncertainty is determined by repeating the fits with the bin values varied randomly within their statistical precision. The standard deviation of the distribution of central values obtained for each fit parameter is then assigned as the systematic uncertainty. The slope of the acceptance correction at large lifetimes is $\beta=(-8.3\pm 4.0)\times 10^{-3}{\rm\,ps^{-1}}$. This leads to a $4.0\times 10^{-3}{\rm\,ps^{-1}}$ systematic uncertainty on $\Gamma_{s}$. The uncertainty on the LHCb length scale is estimated to be at most 0.020%, which translates directly in an uncertainty on $\Gamma_{s}$ and $\Delta\Gamma_{s}$ of 0.020% with other parameters being unaffected. The momentum scale uncertainty is at most 0.022%. As it affects both the reconstructed momentum and mass of the $B^{0}_{s}$ meson, it cancels to a large extent and the resulting effect on $\Gamma_{s}$ and $\Delta\Gamma_{s}$ is negligible. The $C_{\rm SP}$ factors (Table 4) used in the nominal fit assume a non- resonant shape for the S-wave contribution. As a cross-check the factors are re-evaluated assuming a Flatté shape [49] and the fit is repeated. There is a negligible effect on all physics parameters except $\delta_{\rm S}-\delta_{\perp}$. A small shift (approximately 10% of the statistical uncertainty) is observed in $\delta_{\rm S}-\delta_{\perp}$ in each bin of $m(K^{+}K^{-})$, and is assigned as a systematic uncertainty. A possible bias of the fitting procedure is investigated by generating and fitting many simplified simulated experiments of equivalent size to the data sample. The resulting biases are small, and those which are not compatible with zero within three standard deviations are quoted as systematic uncertainties. The small offset, $d$, in the decay time resolution model was set to zero during the fitting procedure. A corresponding systematic uncertainty was evaluated using simulated experiments and found to be negligible for all parameters apart from $\phi_{s}$ and $\delta_{\perp}$. A measurement of the asymmetry that results from $C\\!P$ violation in the interference between $B^{0}_{s}$–$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mixing and decay is potentially affected by $C\\!P$ violation in the mixing, direct $C\\!P$ violation in the decay, production asymmetry and tagging asymmetry. In the previous analysis [6] an explicit systematic uncertainty was included to account for this. In this analysis the fit parameter $|\lambda|$ is added, separate tagging calibrations are used for $B^{0}_{s}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ decisions, as well as separate normalisations of the PDF for each tagging decision. Any residual effects due to tagging efficiency asymmetry and production asymmetry are shown to be negligible through simulation studies. The measurement of $\Delta m_{s}$ determined from these data alone without applying a constraint has been reported in Sect. 9. The dominant sources of systematic uncertainty come from the knowledge of the LHCb length and momentum scales. No significant systematic effect is observed after varying the decay time and angular acceptances and the decay time resolution. Adding all contributions in quadrature gives a total systematic uncertainty of $\pm 0.01{\rm\,ps^{-1}}$. Table 9: Statistical and systematic uncertainties. Source | $\Gamma_{s}$ | $\Delta\Gamma_{s}$ | $|A_{\perp}|^{2}$ | $|A_{0}|^{2}$ | $\delta_{\parallel}$ | $\delta_{\perp}$ | $\phi_{s}$ | $|\lambda|$ ---|---|---|---|---|---|---|---|--- | [ps-1] | [ps-1] | | | [rad] | [rad] | [rad] | Stat. uncertainty | 0.0048 | 0.016 | 0.0086 | 0.0061 | ${}^{+0.13}_{-0.21}$ | 0.22 | 0.091 | 0.031 Background subtraction | 0.0041 | 0.002 | – | 0.0031 | 0.03 | 0.02 | 0.003 | 0.003 $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ background | – | 0.001 | 0.0030 | 0.0001 | 0.01 | 0.02 | 0.004 | 0.005 Ang. acc. reweighting | 0.0007 | – | 0.0052 | 0.0091 | 0.07 | 0.05 | 0.003 | 0.020 Ang. acc. statistical | 0.0002 | – | 0.0020 | 0.0010 | 0.03 | 0.04 | 0.007 | 0.006 Lower decay time acc. model | 0.0023 | 0.002 | – | – | – | – | – | – Upper decay time acc. model | 0.0040 | – | – | – | – | – | – | – Length and mom. scales | 0.0002 | – | – | – | – | – | – | – Fit bias | – | – | 0.0010 | – | – | – | – | – Decay time resolution offset | – | – | – | – | – | 0.04 | 0.006 | – Quadratic sum of syst. | 0.0063 | 0.003 | 0.0064 | 0.0097 | 0.08 | 0.08 | 0.011 | 0.022 Total uncertainties | 0.0079 | 0.016 | 0.0107 | 0.0114 | ${}^{+0.15}_{-0.23}$ | 0.23 | 0.092 | 0.038 Table 10: Statistical and systematic uncertainties for S-wave fractions in bins of $m(K^{+}K^{-})$. Source | bin 1 | bin 2 | bin 3 | bin 4 | bin 5 | bin 6 ---|---|---|---|---|---|--- | $F_{\rm S}$ | $F_{\rm S}$ | $F_{\rm S}$ | $F_{\rm S}$ | $F_{\rm S}$ | $F_{\rm S}$ Stat. uncertainty | ${}^{+0.081}_{-0.073}$ | ${}^{+0.030}_{-0.027}$ | ${}^{+0.014}_{-0.007}$ | ${}^{+0.012}_{-0.009}$ | ${}^{+0.027}_{-0.025}$ | ${}^{+0.043}_{-0.042}$ Background subtraction | 0.014 | 0.003 | 0.001 | 0.002 | 0.004 | 0.006 $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ background | 0.010 | 0.006 | 0.001 | 0.001 | 0.002 | 0.018 Angular acc. reweighting | 0.004 | 0.006 | 0.004 | 0.005 | 0.006 | 0.007 Angular acc. statistical | 0.003 | 0.003 | 0.002 | 0.001 | 0.003 | 0.004 Fit bias | 0.009 | – | 0.002 | 0.002 | 0.001 | 0.001 Quadratic sum of syst. | 0.020 | 0.009 | 0.005 | 0.006 | 0.008 | 0.021 Total uncertainties | ${}^{+0.083}_{-0.076}$ | ${}^{+0.031}_{-0.029}$ | ${}^{+0.015}_{-0.009}$ | ${}^{+0.013}_{-0.011}$ | ${}^{+0.028}_{-0.026}$ | ${}^{+0.048}_{-0.047}$ Table 11: Statistical and systematic uncertainties for S-wave phases in bins of $m(K^{+}K^{-})$. Source | bin 1 | bin 2 | bin 3 | bin 4 | bin 5 | bin 6 ---|---|---|---|---|---|--- | $\delta_{\rm S}-\delta_{\perp}$ | $\delta_{\rm S}-\delta_{\perp}$ | $\delta_{\rm S}-\delta_{\perp}$ | $\delta_{\rm S}-\delta_{\perp}$ | $\delta_{\rm S}-\delta_{\perp}$ | $\delta_{\rm S}-\delta_{\perp}$ | [rad] | [rad] | [rad] | [rad] | [rad] | [rad] Stat. uncertainty | ${}^{+0.78}_{-0.49}$ | ${}^{+0.38}_{-0.23}$ | ${}^{+1.40}_{-0.30}$ | ${}^{+0.21}_{-0.35}$ | ${}^{+0.18}_{-0.26}$ | ${}^{+0.18}_{-0.22}$ Background subtraction | 0.03 | 0.02 | – | 0.03 | 0.01 | 0.01 $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ background | 0.08 | 0.04 | 0.08 | 0.01 | 0.01 | 0.05 Angular acc. reweighting | 0.02 | 0.03 | 0.12 | 0.13 | 0.03 | 0.01 Angular acc. statistical | 0.033 | 0.023 | 0.067 | 0.036 | 0.019 | 0.015 Fit bias | 0.005 | 0.043 | 0.112 | 0.049 | 0.022 | 0.016 $C_{SP}$ factors | 0.007 | 0.028 | 0.049 | 0.025 | 0.021 | 0.020 Quadratic sum of syst. | 0.09 | 0.08 | 0.20 | 0.15 | 0.05 | 0.06 Total uncertainties | ${}^{+0.79}_{-0.50}$ | ${}^{+0.39}_{-0.24}$ | ${}^{+1.41}_{-0.36}$ | ${}^{+0.26}_{-0.38}$ | ${}^{+0.19}_{-0.26}$ | ${}^{+0.19}_{-0.23}$ ## 11 Results for $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ decays The $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ analysis used in this paper is unchanged with respect to Ref. [7] except for: 1. 1. the inclusion of the same-side kaon tagger in the same manner as has already been described for the $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ sample. This increases the number of tagged signal candidates to 2146 OS-only, 497 SSK-only and 293 overlapped events compared to 2445 in Ref. [7]. The overall tagging efficiency is $(39.5\pm 0.7)\%$ and the tagging power increases from $(2.43\pm 0.08\pm 0.26)\%$ to $(3.37\pm 0.12\pm 0.27)\%$; 2. 2. an updated decay time acceptance model. For this, the decay channel $B^{0}\rightarrow J\\!/\\!\psi K^{*}(892)^{0}$, which has a well known lifetime, is used to calibrate the decay time acceptance, and simulated events are used to determine a small relative correction between the acceptances for the $B^{0}\rightarrow J/\psi K^{*}(892)^{0}$ and $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ decays; 3. 3. use of the updated values of $\Gamma_{s}$ and $\Delta\Gamma_{s}$ from the $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ analysis presented in this paper as constraints in the fit for $\phi_{s}$. The measurement of $\phi_{s}$ using only the $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ events is $\phi_{s}=-0.14\,^{+0.17}_{-0.16}\pm 0.01\rm\,rad,$ where the systematic uncertainty is obtained in the same way as described in Ref. [7]. The decay time resolution in this channel is approximately $40$ fs and its effect is included in the systematic uncertainty. In addition, the effective lifetime $\tau^{\rm eff}_{B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}}$ is measured by fitting a single exponential function to the $B^{0}_{s}$ decay time distribution with no external constraints on $\Gamma_{s}$ and $\Delta\Gamma_{s}$ applied. The result is $\tau^{\rm eff}_{B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}}=1.652\pm 0.024\ (\mathrm{stat})\pm 0.024\ (\mathrm{syst}){\rm\,ps}.$ This is equivalent to a decay width of $\Gamma^{\rm eff}_{B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\pi^{+}\pi^{-}}=0.605\pm 0.009\ (\mathrm{stat})\pm 0.009\ (\mathrm{syst}){\rm\,ps^{-1}},$ which, in the limit $\phi_{s}=0$ and $|\lambda|=1$, corresponds to $\Gamma_{\rm H}$. This result supersedes that reported in Ref. [50]. The uncertainty on the $B^{0}$ lifetime [8] used to calibrate the decay time acceptance is included in the statistical uncertainty. The remaining systematic uncertainty is evaluated by changing the background model and assigning half of the relative change between the fit results with and without the decay time acceptance correction included, leading to uncertainties of $0.011{\rm\,ps}$ and $0.021{\rm\,ps}$, respectively. The total systematic uncertainty obtained by adding the two contributions in quadrature is $0.024{\rm\,ps}$. ## 12 Combined results for $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ and $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ datasets This section presents the results from a simultaneous fit to both $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ and $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ datasets. The joint log-likelihood is minimised with the common parameters being $\Gamma_{s}$, $\Delta\Gamma_{s}$, $\phi_{s}$, $|\lambda|$, $\Delta m_{s}$ and the tagging calibration parameters. The combined results are given in Table 12. The correlation matrix for the principal parameters is given in Table 13. For all parameters, except $\Gamma_{s}$ and $\Delta\Gamma_{s}$, the same systematic uncertainties as presented for the stand-alone $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ analysis are assigned. For $\Gamma_{s}$ and $\Delta\Gamma_{s}$ additional systematic uncertainties of $0.001{\rm\,ps^{-1}}$ and $0.006{\rm\,ps^{-1}}$ respectively are included, due to the $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ background model and decay time acceptance variations described above. Table 12: Results of combined fit to the $B_{s}^{0}\rightarrow J/\psi K^{+}K^{-}$ and $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ datasets. The first uncertainty is statistical and the second is systematic. Parameter | Value ---|--- $\Gamma_{s}$ [${\rm\,ps^{-1}}$ ] | $0.661\pm 0.004\pm 0.006$ $\Delta\Gamma_{s}$ [${\rm\,ps^{-1}}$ ] | $0.106\pm 0.011\pm 0.007$ $|A_{\perp}|^{2}$ | $0.246\pm 0.007\pm 0.006$ $|A_{0}|^{2}$ | $0.523\pm 0.005\pm 0.010$ $\delta_{\parallel}$ [rad] | $3.32\,^{+0.13}_{-0.21}\pm 0.08$ $\delta_{\perp}$ [rad] | $3.04\pm 0.20\pm 0.08$ $\phi_{s}$ [rad] | $0.01\pm 0.07\pm 0.01$ $|\lambda|$ | $0.93\pm 0.03\pm 0.02$ Table 13: Correlation matrix for statistical uncertainties on combined results. | $\Gamma_{s}$ | $\Delta\Gamma_{s}$ | $|A_{\perp}|^{2}$ | $|A_{0}|^{2}$ | $\delta_{\parallel}$ | $\delta_{\perp}$ | $\phi_{s}$ | $|\lambda|$ ---|---|---|---|---|---|---|---|--- | [${\rm\,ps^{-1}}$ ] | [${\rm\,ps^{-1}}$ ] | | | [rad] | [rad] | [rad] | $\Gamma_{s}$ [${\rm\,ps^{-1}}$ ] | $\phantom{+}1.00$ | $\phantom{+}0.10$ | $\phantom{+}0.08$ | $\phantom{+}0.03$ | $-0.08$ | $-0.04$ | $\phantom{+}0.01$ | $\phantom{+}0.00$ $\Delta\Gamma_{s}$ [${\rm\,ps^{-1}}$ ] | | $\phantom{+}1.00$ | ${-0.49}$ | $\phantom{+}{0.47}$ | $\phantom{+}0.00$ | $\phantom{+}0.00$ | $\phantom{+}0.00$ | $-0.01$ $|A_{\perp}|^{2}$ | | | $\phantom{+}1.00$ | ${-0.40}$ | ${-0.37}$ | $-0.14$ | $\phantom{+}0.02$ | $-0.05$ $|A_{0}|^{2}$ | | | | $\phantom{+}1.00$ | $-0.05$ | $-0.03$ | $-0.01$ | $\phantom{+}0.01$ $\delta_{\parallel}$ [rad] | | | | | $\phantom{+}1.00$ | $\phantom{+}{0.39}$ | $-0.01$ | $\phantom{+}0.13$ $\delta_{\perp}$ [rad] | | | | | | $\phantom{+}1.00$ | $\phantom{+}0.21$ | $\phantom{+}0.03$ $\phi_{s}$ [rad] | | | | | | | $\phantom{+}1.00$ | $\phantom{+}0.06$ $|\lambda|$ | | | | | | | | $\phantom{+}1.00$ ## 13 Conclusion A sample of $pp$ collisions at $\sqrt{s}=7\mathrm{\,Te\kern-1.00006ptV}$, corresponding to an integrated luminosity of $1.0$$\mbox{\,fb}^{-1}$, collected with the LHCb detector is used to select $27\,617\pm 115$ $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ events in a $\pm 30{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ window around the $\phi(1020)$ meson mass [8]. The effective tagging efficiency from the opposite-side (same- side kaon) tagger is ${\varepsilon_{\rm eff}=2.29\pm 0.22}$% ($0.89\pm 0.18$%). A combination of data and simulation based techniques are used to correct for detector efficiencies. These data have been analysed in six bins of $m(K^{+}K^{-})$, allowing the resolution of two symmetric solutions, leading to the single most precise measurements of $\phi_{s}$, $\Gamma_{s}$ and $\Delta\Gamma_{s}$ $\begin{array}[]{ccllllllll}\phi_{s}&\;=&0.07&\pm&0.09&\text{(stat)}&\pm&0.01&\text{(syst)}&\text{rad},\\\ \Gamma_{s}&\;=&0.663&\pm&0.005&\text{(stat)}&\pm&0.006&\text{(syst)}&{\rm\,ps^{-1}},\rule{0.0pt}{14.22636pt}\\\ \Delta\Gamma_{s}&\;=&0.100&\pm&0.016&\text{(stat)}&\pm&0.003&\text{(syst)}&{\rm\,ps^{-1}}.\rule{0.0pt}{14.22636pt}\\\ \end{array}$ The $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ events also allow an independent determination of ${\Delta m_{s}=17.70\pm 0.10\pm 0.01{\rm\,ps^{-1}}}$. The time-dependent $C\\!P$-asymmetry measurement using $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ events from Ref. [7] is updated to include same-side kaon tagger information. The result of performing a combined fit using both $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ and $B_{s}^{0}\rightarrow J/\psi\pi^{+}\pi^{-}$ events gives $\begin{array}[]{ccllllllll}\phi_{s}&\;=&0.01&\pm&0.07&\text{(stat)}&\pm&0.01&\text{(syst)}&\text{rad},\\\ \Gamma_{s}&\;=&0.661&\pm&0.004&\text{(stat)}&\pm&0.006&\text{(syst)}&{\rm\,ps^{-1}},\rule{0.0pt}{14.22636pt}\\\ \Delta\Gamma_{s}&\;=&0.106&\pm&0.011&\text{(stat)}&\pm&0.007&\text{(syst)}&{\rm\,ps^{-1}}.\rule{0.0pt}{14.22636pt}\\\ \end{array}$ The measurements of $\phi_{s}$, $\Delta\Gamma_{s}$ and $\Gamma_{s}$ are the most precise to date and are in agreement with SM predictions [3, 43, *Badin:2007bv, *Lenz:2011ti]. All measurements using $B^{0}_{s}\rightarrow J\\!/\\!\psi K^{+}K^{-}$ decays supersede our previous measurements reported in Ref. [6], and all measurements using $B^{0}_{s}\rightarrow J\\!/\\!\psi\pi^{+}\pi^{-}$ decays supersede our previous measurements reported in Ref. [7]. The $B^{0}_{s}\rightarrow J\\!/\\!\psi\pi^{+}\pi^{-}$ effective lifetime measurement supersedes that reported in Ref. [50]. The combined results reported in Ref. [7] are superseded by those reported here. Since the combined results for $\Gamma_{s}$ and $\Delta\Gamma_{s}$ include all lifetime information from both channels they should not be used in conjunction with the ${B^{0}_{s}\rightarrow J\\!/\\!\psi\pi^{+}\pi^{-}}$ effective lifetime measurement. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are thankful for the computing resources put at our disposal by Yandex LLC (Russia), as well as to the communities behind the multiple open source software packages that we depend on. ## Appendix A Definition of helicity decay angles The helicity angles can be defined in terms of the momenta of the decay particles. The momentum of particle $a$ in the centre-of-mass system of $S$ is denoted by $\vec{p}_{a}^{\;S}$. With this convention, unit vectors are defined along the helicity axis in the three centre-of-mass systems and the two unit normal vectors of the $K^{+}K^{-}$ and $\mu^{+}\mu^{-}$ decay planes as $\begin{gathered}\hat{e}_{z}^{\,KK\mu\mu}=+\frac{\vec{p}_{\mu^{+}}^{\;KK\mu\mu}+\vec{p}_{\mu^{-}}^{\;KK\mu\mu}}{|\vec{p}_{\mu^{+}}^{\;KK\mu\mu}+\vec{p}_{\mu^{-}}^{\;KK\mu\mu}|},\qquad\hat{e}_{z}^{\,KK}=-\frac{\vec{p}_{\mu^{+}}^{\;KK}+\vec{p}_{\mu^{-}}^{\;KK}}{|\vec{p}_{\mu^{+}}^{\;KK}+\vec{p}_{\mu^{-}}^{\;KK}|},\qquad\hat{e}_{z}^{\,\mu\mu}=-\frac{\vec{p}_{K^{+}}^{\;\mu\mu}+\vec{p}_{K^{-}}^{\;\mu\mu}}{|\vec{p}_{K^{+}}^{\;\mu\mu}+\vec{p}_{K^{-}}^{\;\mu\mu}|},\\\ \hat{n}_{KK}=\frac{\vec{p}_{K^{+}}^{\;KK\mu\mu}\times\vec{p}_{K^{-}}^{\;KK\mu\mu}}{|\vec{p}_{K^{+}}^{\;KK\mu\mu}\times\vec{p}_{K^{-}}^{\;KK\mu\mu}|},\qquad\qquad\hat{n}_{\mu\mu}=\frac{\vec{p}_{\mu^{+}}^{\;KK\mu\mu}\times\vec{p}_{\mu^{-}}^{\;KK\mu\mu}}{|\vec{p}_{\mu^{+}}^{\;KK\mu\mu}\times\vec{p}_{\mu^{-}}^{\;KK\mu\mu}|}.\end{gathered}$ (16) The helicity angles are defined in terms of these vectors as $\displaystyle\cos\theta_{K}$ $\displaystyle=\frac{\vec{p}_{K^{+}}^{\;KK}}{|\vec{p}_{K^{+}}^{\;KK}|}\cdot\hat{e}_{z}^{\,KK},$ $\displaystyle\qquad\quad\cos\theta_{\mu}$ $\displaystyle=\frac{\vec{p}_{\mu^{+}}^{\;\mu\mu}}{|\vec{p}_{\mu^{+}}^{\;\mu\mu}|}\cdot\hat{e}_{z}^{\,\mu\mu},$ (17) $\displaystyle\cos\varphi_{h}$ $\displaystyle=\hat{n}_{KK}\cdot\hat{n}_{\mu\mu},$ $\displaystyle\sin\varphi_{h}$ $\displaystyle=\left(\hat{n}_{KK}\times\hat{n}_{\mu\mu}\right)\cdot\hat{e}_{z}^{\,KK\mu\mu}.$ ## References * [1] M. 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arxiv-papers
2013-04-09T14:08:07
2024-09-04T02:49:44.039041
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, M. Benayoun, G.\n Bencivenni, S. Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M.\n van Beuzekom, A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T.\n Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W.\n Bonivento, S. Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T.\n Brambach, J. van den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton,\n N.H. Brook, H. Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S.\n Cadeddu, O. Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, A.\n Carbone, G. Carboni, R. Cardinale, A. Cardini, H. Carranza-Mejia, L. Carson,\n K. Carvalho Akiba, G. Casse, M. Cattaneo, Ch. Cauet, M. Charles, Ph.\n Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K. Ciba, X. Cid Vidal, G.\n Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J. Closier, C. Coca, V.\n Coco, J. Cogan, E. Cogneras, P. Collins, A. Comerma-Montells, A. Contu, A.\n Cook, M. Coombes, S. Coquereau, G. Corti, B. Couturier, G.A. Cowan, D.C.\n Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P. David, P.N.Y. David, I. De\n Bonis, K. De Bruyn, S. De Capua, M. De Cian, J.M. De Miranda, L. De Paula, W.\n De Silva, P. De Simone, D. Decamp, M. Deckenhoff, L. Del Buono, D. Derkach,\n O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra, M. Dogaru, S. Donleavy,\n F. Dordei, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya, F. Dupertuis, R.\n Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U. Egede, V. Egorychev, S.\n Eidelman, D. van Eijk, S. Eisenhardt, U. Eitschberger, R. Ekelhof, L. Eklund,\n I. El Rifai, Ch. Elsasser, D. Elsby, A. Falabella, C. F\\\"arber, G. Fardell,\n C. Farinelli, S. Farry, V. Fave, D. Ferguson, V. Fernandez Albor, F. Ferreira\n Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, C. Fitzpatrick, M. Fontana,\n F. Fontanelli, R. Forty, O. Francisco, M. Frank, C. Frei, M. Frosini, S.\n Furcas, E. Furfaro, A. Gallas Torreira, D. Galli, M. Gandelman, P. Gandini,\n Y. Gao, J. Garofoli, P. Garosi, J. Garra Tico, L. Garrido, C. Gaspar, R.\n Gauld, E. Gersabeck, M. Gersabeck, T. Gershon, Ph. Ghez, V. Gibson, V.V.\n Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M.\n Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G.\n Graziani, A. Grecu, E. Greening, S. Gregson, O. Gr\\\"unberg, B. Gui, E.\n Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G. Haefeli, C. Haen, S.C.\n Haines, S. Hall, T. Hampson, S. Hansmann-Menzemer, N. Harnew, S.T. Harnew, J.\n Harrison, T. Hartmann, J. He, V. Heijne, K. Hennessy, P. Henrard, J.A.\n Hernando Morata, E. van Herwijnen, E. Hicks, D. Hill, M. Hoballah, C.\n Hombach, P. Hopchev, W. Hulsbergen, P. Hunt, T. Huse, N. Hussain, D.\n Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik, P. Ilten, R. Jacobsson, A.\n Jaeger, E. Jans, P. Jaton, F. Jing, M. John, D. Johnson, C.R. Jones, B. Jost,\n M. Kaballo, S. Kandybei, M. Karacson, T.M. Karbach, I.R. Kenyon, U. Kerzel,\n T. Ketel, A. Keune, B. Khanji, O. Kochebina, I. Komarov, R.F. Koopman, P.\n Koppenburg, M. Korolev, A. Kozlinskiy, L. Kravchuk, K. Kreplin, M. Kreps, G.\n Krocker, P. Krokovny, F. Kruse, M. Kucharczyk, V. Kudryavtsev, T.\n Kvaratskheliya, V.N. La Thi, D. Lacarrere, G. Lafferty, A. Lai, D. Lambert,\n R.W. Lambert, E. Lanciotti, G. Lanfranchi, C. Langenbruch, T. Latham, C.\n Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\`evre, A. Leflat, J.\n Lefran\\c{c}ois, S. Leo, O. Leroy, B. Leverington, Y. Li, L. Li Gioi, M.\n Liles, R. Lindner, C. Linn, B. Liu, G. Liu, J. von Loeben, S. Lohn, J.H.\n Lopes, E. Lopez Asamar, N. Lopez-March, H. Lu, D. Lucchesi, J. Luisier, H.\n Luo, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S. Malde, G.\n Manca, G. Mancinelli, U. Marconi, R. M\\\"arki, J. Marks, G. Martellotti, A.\n Martens, L. Martin, A. Mart\\'in S\\'anchez, M. Martinelli, D. Martinez Santos,\n D. Martins Tostes, A. Massafferri, R. Matev, Z. Mathe, C. Matteuzzi, E.\n Maurice, A. Mazurov, J. McCarthy, R. McNulty, A. Mcnab, B. Meadows, F. Meier,\n M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J. Molina Rodriguez, S.\n Monteil, D. Moran, P. Morawski, M.J. Morello, R. Mountain, I. Mous, F.\n Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster, P. Naik, T. Nakada, R.\n Nandakumar, I. Nasteva, M. Needham, N. Neufeld, A.D. Nguyen, T.D. Nguyen, C.\n Nguyen-Mau, M. Nicol, V. Niess, R. Niet, N. Nikitin, T. Nikodem, A.\n Nomerotski, A. Novoselov, A. Oblakowska-Mucha, V. Obraztsov, S. Oggero, S.\n Ogilvy, O. Okhrimenko, R. Oldeman, M. Orlandea, J.M. Otalora Goicochea, P.\n Owen, A. Oyanguren, B.K. Pal, A. Palano, M. Palutan, J. Panman, A.\n Papanestis, M. Pappagallo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D.\n Patel, M. Patel, G.N. Patrick, C. Patrignani, C. Pavel-Nicorescu, A. Pazos\n Alvarez, A. Pellegrino, G. Penso, M. Pepe Altarelli, S. Perazzini, D.L.\n Perego, E. Perez Trigo, A. P\\'erez-Calero Yzquierdo, P. Perret, M.\n Perrin-Terrin, G. Pessina, K. Petridis, A. Petrolini, A. Phan, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, S. Playfer, M. Plo Casasus, F.\n Polci, G. Polok, A. Poluektov, E. Polycarpo, D. Popov, B. Popovici, C.\n Potterat, A. Powell, J. Prisciandaro, V. Pugatch, A. Puig Navarro, G. Punzi,\n W. Qian, J.H. Rademacker, B. Rakotomiaramanana, M.S. Rangel, I. Raniuk, N.\n Rauschmayr, G. Raven, S. Redford, M.M. Reid, A.C. dos Reis, S. Ricciardi, A.\n Richards, K. Rinnert, V. Rives Molina, D.A. Roa Romero, P. Robbe, E.\n Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A. Romero Vidal, J.\n Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino, J.J.\n Saborido Silva, N. Sagidova, P. Sail, B. Saitta, C. Salzmann, B. Sanmartin\n Sedes, M. Sannino, R. Santacesaria, C. Santamarina Rios, E. Santovetti, M.\n Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie, D. Savrina, P. Schaack,\n M. Schiller, H. Schindler, M. Schlupp, M. Schmelling, B. Schmidt, O.\n Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B. Sciascia, A. Sciubba,\n M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N. Serra, J. Serrano, P.\n Seyfert, M. Shapkin, I. Shapoval, P. Shatalov, Y. Shcheglov, T. Shears, L.\n Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires, R. Silva Coutinho, T.\n Skwarnicki, N.A. Smith, E. Smith, M. Smith, M.D. Sokoloff, F.J.P. Soler, F.\n Soomro, D. Souza, B. Souza De Paula, B. Spaan, A. Sparkes, P. Spradlin, F.\n Stagni, S. Stahl, O. Steinkamp, S. Stoica, S. Stone, B. Storaci, M.\n Straticiuc, U. Straumann, V.K. Subbiah, S. Swientek, V. Syropoulos, M.\n Szczekowski, P. Szczypka, T. Szumlak, S. T'Jampens, M. Teklishyn, E.\n Teodorescu, F. Teubert, C. Thomas, E. Thomas, J. van Tilburg, V. Tisserand,\n M. Tobin, S. Tolk, D. Tonelli, S. Topp-Joergensen, N. Torr, E. Tournefier, S.\n Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev, P. Tsopelas, N. Tuning, M.\n Ubeda Garcia, A. Ukleja, D. Urner, U. Uwer, V. Vagnoni, G. Valenti, R.\n Vazquez Gomez, P. Vazquez Regueiro, S. Vecchi, J.J. Velthuis, M. Veltri, G.\n Veneziano, M. Vesterinen, B. Viaud, D. Vieira, X. Vilasis-Cardona, A.\n Vollhardt, D. Volyanskyy, D. Voong, A. Vorobyev, V. Vorobyev, C. Vo\\ss, H.\n Voss, R. Waldi, R. Wallace, S. Wandernoth, J. Wang, D.R. Ward, N.K. Watson,\n A.D. Webber, D. Websdale, M. Whitehead, J. Wicht, J. Wiechczynski, D.\n Wiedner, L. Wiggers, G. Wilkinson, M.P. Williams, M. Williams, F.F. Wilson,\n J. Wishahi, M. Witek, S.A. Wotton, S. Wright, S. Wu, K. Wyllie, Y. Xie, F.\n Xing, Z. Xing, Z. Yang, R. Young, X. Yuan, O. Yushchenko, M. Zangoli, M.\n Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y. Zhang, A. Zhelezov, A.\n Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Greig Cowan Dr", "url": "https://arxiv.org/abs/1304.2600" }
1304.2669
# On Normal forms for Levi-flat hypersurfaces with an isolated line singularity Arturo Fernández Pérez Departamento de Matemática, Universidade Federal de Minas Gerais, UFMG Av. Antônio Carlos, 6627 C.P. 702, 30123-970 - Belo Horizonte - MG, Brazil. [email protected] ###### Abstract. We prove the existence of normal forms for some local real-analytic Levi-flat hypersurfaces with an isolated line singularity. We also give sufficient conditions for that a Levi-flat hypersurface with a complex line as singularity to be a pullback of a real-analytic curve in $\mathbb{C}$ via a holomorphic function. ###### Key words and phrases: Levi-flat hypersurfaces - Holomorphic foliations ###### 2010 Mathematics Subject Classification: Primary 32V40 - 32S65 ## 1\. Introduction Let $M\subset U\subset\mathbb{C}^{n}$ be a real-analytic hypersurface, where $U$ is an open set and denote by $M^{*}$ the regular part, that is, near each point $p\in M^{*}$, the variety $M$ is a manifold of real codimension one. For each $p\in M^{*}$, there is a unique complex hyperplane $L_{p}$ contained in the tangent space $T_{p}M^{*}$, and consequently defines a real-analytic distribution $p\mapsto L_{p}$ of complex hyperplanes in $T_{p}M^{*}$, the so- called Levi distribution. We say that $M$ is Levi-flat, if the Levi distribution is integrable in sense of Frobenius. The foliation defined by this distribution is called Levi-foliation. The local structure near regular points is very well understood, according to E. Cartan, around each $p\in M^{*}$ we can find local holomorphic coordinates $z_{1},\ldots,z_{n}$ such that $M^{*}=\\{\mathcal{R}e(z_{n})=0\\}$, and consequently the leaves of Levi- foliation are imaginary levels of $z_{n}$. The singular case was studied by Burns-Gong [2], The authors classified singular Levi-flat hypersurfaces in $\mathbb{C}^{n}$ with quadratic singularities and also proved the existence of a normal form, in the case of generic (Morse) singularities. In [4], Cerveau- Lins Neto have proved that a local real-analytic Levi-flat hypersurface $M$ with a sufficiently small singular set is given by the zeros of the real part of a holomorphic function. The aim of this paper is to prove the existence of some normal forms for local real-analytic Levi-flat hypersurfaces defined by the vanishing of real part of holomorphic functions with an isolated line singularity (for short: ILS). In particular, we establish an analogous result like in Singularity Theory for germs of holomorphic functions. The main motivation for this work is a result due to Dirk Siersma, who introduced in [14] the class of germs of holomorphic functions with an ILS. More precisely, let $\mathcal{O}_{n+1}:=\\{f:(\mathbb{C}^{n+1},0)\rightarrow\mathbb{C}\\}$ be the ring of germs of holomorphic functions and let $m$ be its maximal ideal. If $(x,y)=(x,y_{1},\ldots,y_{n})$ denote the coordinates in $\mathbb{C}^{n+1}$ and consider the line $L:=\\{y_{1}=\ldots=y_{n}=0\\}$, let $I:=(y_{1},\ldots,y_{n})\subset\mathcal{O}_{n+1}$ be its ideal and denote by $\mathcal{D}_{I}$ the group of local analytic isomorphisms $\varphi:(\mathbb{C}^{n+1},0)\rightarrow(\mathbb{C}^{n+1},0)$ for which $\varphi(L)=L$. Then $\mathcal{D}_{I}$ acts on $I^{2}$ and for $f\in I^{2}$, the tangent space of (the orbit of) $f$ with respect to this action is the ideal defined by $\tau(f):=m.\frac{\partial{f}}{\partial{x}}+I.\frac{\partial{f}}{\partial{y}}$ and the codimension of (the orbit) of $f$ is $c(f):=\dim_{\mathbb{C}}\frac{I^{2}}{\tau(f)}.$ A line singularity is a germ $f\in I^{2}$. An ILS is a line singularity $f$ such that $c(f)<\infty$. Geometrically, $f\in I^{2}$ is an ILS if and only if the singular locus of $f$ is $L$ and for every $x\neq 0$, the germ of (a representative of) $f$ at $(x,0)\in L$ is equivalent to $y^{2}_{1}+\ldots+y^{2}_{n}$. In a certain sense ILS are the first generalization of isolated singularities. D. Siersma proved the following result. (The topology on $\mathcal{O}_{n+1}$ is introduced as in [5, p. 145]). ###### Theorem 1.1. A germ $f\in I^{2}$ is $D_{I}$-simple (i.e. $c(f)<\infty$ and $f$ has a neighborhood in $I^{2}$ which intersects only a finite number of $D_{I}$-orbits) if and only if $f$ is $D_{I}$-equivalent to one the germs in the following table Type | Normal form | Conditions ---|---|--- $A_{\infty}$ | $y_{1}^{2}+y_{2}^{2}+\ldots+y^{2}_{n}$ | $D_{\infty}$ | $xy^{2}_{1}+y^{2}_{2}+\ldots+y^{2}_{n}$ | $J_{k,\infty}$ | $x^{k}y^{2}_{1}+y_{1}^{3}+y^{2}_{2}+\ldots+y_{n}^{2}$ | $k\geq 2$ $T_{\infty,k,2}$ | $x^{2}y^{2}_{1}+y_{1}^{k}+y_{2}^{2}+\ldots+y_{n}^{2}$ | $k\geq 4$ $Z_{k,\infty}$ | $xy_{1}^{3}+x^{k+2}y_{1}^{2}+y_{2}^{2}+\ldots+y_{n}^{2}$ | $k\geq 1$ $W_{1,\infty}$ | $x^{3}y_{1}^{2}+y_{1}^{4}+y_{2}^{2}+\ldots+y_{n}^{2}$ | $T_{\infty,q,r}$ | $xy_{1}y_{2}+y_{1}^{q}+y_{2}^{r}+y^{2}_{3}\ldots+y_{n}^{2}$ | $q\geq r\geq 3$ $Q_{k,\infty}$ | $x^{k}y_{1}^{2}+y_{1}^{3}+xy_{2}^{2}+y^{2}_{3}\ldots+y_{n}^{2}$ | $k\geq 2$ $S_{1,\infty}$ | $x^{2}y_{1}^{2}+y_{1}^{2}y_{2}+y_{3}^{2}+\ldots+y_{n}^{2}$ | Table 1. Isolated Line singularities The singularities in Theorem 1.1 are analogous of the $A$-$D$-$E$ singularities due to Arnold [1]. A new characterization of simple ILS have been proved by A. Zaharia [15]. We prove the existence of normal forms for Levi-flat hypersurfaces with an ILS. ###### Theorem 1. Let $M=\\{F=0\\}$ be a germ of an irreducible real-analytic hypersurface on $(\mathbb{C}^{n+1},0)$, $n\geq 3$. Suppose that 1. (1) $F(x,y)=\mathcal{R}e(P(x,y))+H(x,y),$ where $P(x,y)$ is one of the germs of the Table 1. 2. (2) $M=\\{F=0\\}$ is Levi-flat. 3. (3) $H(x,0)=0$ for all $x\in(\mathbb{C},0)$ and $j_{0}^{k}(H)=0$, for $k=\deg(P)$. Then there exists a biholomorphism $\varphi:(\mathbb{C}^{n+1},0)\rightarrow(\mathbb{C}^{n+1},0)$ preserving $L$ such that $\varphi(M)=\\{\mathcal{R}e(P(x,y))=0\\}.$ This result is a Siersma’s type Theorem for singular Levi-flat hypersurfaces. We remark that the function $H$ is of course restricted by the assumption that $M$ is Levi flat. Now, if $\varphi(M)=\\{\mathcal{R}e(P(x,y))=0\\}$, where $P$ is a germ with an ILS at $L$ then $\textsf{Sing}(M)=L$. In other words, $M$ is a Levi-flat hypersurface with an ILS at $L$. If $P(x,y)$ is the germ $A_{\infty}$, we prove that Theorem 1 is true in the case $n=2$. ###### Theorem 2. Let $M=\\{F=0\\}$ be a germ of an irreducible real-analytic Levi-flat hypersurface on $(\mathbb{C}^{3},0)$. Suppose that $F$ is defined by $F(x,y)=\mathcal{R}e(y_{1}^{2}+y_{2}^{2})+H(x,y),$ where $H$ is a germ of real-analytic function such that $H(x,0)=0$ and $j_{0}^{k}(H)=0$ for $k=2$. Then there exists a biholomorphism $\varphi:(\mathbb{C}^{3},0)\rightarrow(\mathbb{C}^{3},0)$ preserving $L$ such that $\varphi(M)=\\{\mathcal{R}e(y_{1}^{2}+y_{2}^{2})=0\\}$. The above result should be compared to [2, Theorem 1.1]. This result can be viewed as a Morse’s Lemma for Levi-flat hypersurfaces with an ILS at $L$. The problem of normal forms of Levi-flat hypersurfaces in $\mathbb{C}^{3}$ with an ILS seems difficult in the other cases. To prove these results we use techniques of holomorphic foliations developed in [4] and [6]. Another normal forms of singular Levi-flat hypersurfaces have been obtained in [2], [7] and [9]. This paper is organized as follows: In Section 2, we recall some definitions and known results about Levi-flat and holomorphic foliations. Section 3 is devoted to prove Theorem 1. In Section 4, we prove Theorem 2. Finally, in Section 5, using holomorphic foliations, we give sufficient conditions for that a Levi-flat hypersurface with a complex line as singularity to be a pullback of a real-analytic curve in $\mathbb{C}$ via a holomorphic function, (see Theorem 5.7). ## 2\. Levi-flat hypersurfaces and Foliations In this section we works with germs at $0\in\mathbb{C}^{n+1}$ of irreducible real-analytic hypersurfaces and of codimension one holomorphic foliations. Let $M=\\{F=0\\}$, where $F:(\mathbb{C}^{n+1},0)\rightarrow(\mathbb{R},0)$ is a germ of an irreducible real-analytic function, and $M^{*}:=\\{F=0\\}\backslash\\{dF=0\\}$. Let us define the singular set of $M$ (or “set of critical points” of $M$) by $\textsf{Sing}(M):=\\{F=0\\}\cap\\{dF=0\\}.$ (2.1) Note that $\textsf{Sing}(M)$ contains all points $q\in M$ such that $M$ is smooth at $q$, but the codimension of $M$ at $q$ is at least two. In general the singular set of a real-analytic subvariety $M$ in a complex manifold is defined as the set of points near which $M$ is not a real-analytic submanifold (of any dimension) and “in general” has structure of a semianalytic set; see for instance, [11]. In this paper, we work with $\textsf{Sing}(M)$ as defined in (2.1). We recall that (in this case) the Levi distribution $L$ on $M^{*}$ is defined by $\displaystyle L_{p}:=ker(\partial{F}(p))\subset T_{p}M^{*}=ker(dF(p)),\,\,\,\,\text{for any}\,\,p\in M^{*}.$ (2.2) Let us suppose that $M$ is Levi-flat, this implies that $M^{*}$ is foliated by complex codimension one holomorphic submanifolds immersed on $M^{*}$. Note that the Levi distribution $L$ on $M^{*}$ can be defined by the real- analytic 1-form $\eta=i(\partial{F}-\bar{\partial}F)$, which is called the Levi 1-form of $F$. It is well known that the integrability condition of $L$ is equivalent to equation $(\partial{F}-\bar{\partial}F)\wedge\partial\bar{\partial}F|_{M^{*}}=0.$ Let us consider the series Taylor of $F$ at $0\in\mathbb{C}^{n+1}$, $F(x,y)=\sum_{i,\mu,j,\nu}F_{i\mu j\nu}x^{i}y^{\mu}\bar{x}^{j}\bar{y}^{\nu}$ where $\bar{F}_{i\mu j\nu}=F_{j\nu i\mu}$; $i,j\in\mathbb{N}$, $\mu=(\mu_{1},\ldots,\mu_{n})$, $\nu=(\nu_{1},\ldots,\nu_{n})$, $(x,y)\in\mathbb{C}\times\mathbb{C}^{n}$, $y^{\mu}=y_{1}^{\mu_{1}}\ldots y_{n}^{\mu_{n}}$ and $\bar{y}^{\nu}=\bar{y}_{1}^{\nu_{1}}\ldots\bar{y}_{n}^{\nu_{n}}$. The complexification $F_{\mathbb{C}}\in\mathcal{O}_{2n+2}$ of $F$ is defined by the serie $F_{\mathbb{C}}(x,y,z,w)=\sum_{i,\mu,j,\nu}F_{i\mu j\nu}x^{i}y^{\mu}z^{j}w^{\nu},$ where $z\in\mathbb{C}$, $w=(w_{1},\ldots,w_{n})\in\mathbb{C}^{n}$ and $w^{\nu}=w_{1}^{\nu_{1}}\ldots w_{n}^{\nu_{n}}$. Notice that $F(x,y)=F_{\mathbb{C}}(x,y,\bar{x},\bar{y})$. The complexification $M_{\mathbb{C}}$ of $M$ is defined as $M_{\mathbb{C}}:=\\{F_{\mathbb{C}}=0\\}$ and defines a complex subvariety in $\mathbb{C}^{2n+2}$, its regular part is $M^{*}_{\mathbb{C}}:=M_{\mathbb{C}}\backslash\\{dF_{\mathbb{C}}=0\\}$. Now, assume that $M$ is Levi-flat. Then the integrability condition of $\eta=i(\partial{F}-\bar{\partial}F)|_{M^{*}}$ implies that $\eta_{\mathbb{C}}|_{M^{*}_{\mathbb{C}}}$ is integrable, where $\eta_{\mathbb{C}}:=i[(\partial_{x}F_{\mathbb{C}}+\partial_{y}F_{\mathbb{C}})-(\partial_{z}F_{\mathbb{C}}+\partial_{w}F_{\mathbb{C}})].$ Therefore $\eta_{\mathbb{C}}|_{M^{*}_{\mathbb{C}}}$ defines a codimension one holomorphic foliation $\mathcal{L}_{\mathbb{C}}$ on $M^{*}_{\mathbb{C}}$ that will be called the complexification of $\mathcal{L}$. Let $W:=M_{\mathbb{C}}^{*}\backslash\textsf{Sing}(\eta_{\mathbb{C}}|_{M^{*}_{\mathbb{C}}})$ and denote by $L_{\zeta}$ the leaf of $\mathcal{L}_{\mathbb{C}}$ through $\zeta$, where $\zeta\in W$. The next results will be used several times along of the paper. ###### Lemma 2.1 (Cerveau-Lins Neto [4]). For any $\zeta\in W$, the leaf $L_{\zeta}$ of $\mathcal{L}_{\mathbb{C}}$ through $\zeta$ is closed in $M_{\mathbb{C}}^{*}$. ###### Definition 2.2. The algebraic dimension of $\textsf{Sing}(M)$ is the complex dimension of the singular set of $M_{\mathbb{C}}$. The following result will be used enunciated in the context of Levi-flat hypersurfaces in $\mathbb{C}^{n+1}$. ###### Theorem 2.3 (Cerveau-Lins Neto [4]). Let $M=\\{F=0\\}$ be a germ of an irreducible analytic Levi-flat hypersurface at $0\in\mathbb{C}^{n+1}$, $n\geq{2}$, with Levi 1-form $\eta=i(\partial{F}-\bar{\partial}F)$. Assume that the algebraic dimension of $\textsf{Sing}(M)\leq 2n-2$. Then there exists a unique germ at $0\in\mathbb{C}^{n+1}$ of holomorphic codimension one foliation $\mathcal{F}_{M}$ tangent to $M$, if one of the following conditions is fulfilled: 1. (1) $n\geq 3$ and $cod_{M_{\mathbb{C}}^{*}}(\textsf{Sing}(\eta_{\mathbb{C}}|_{M_{\mathbb{C}}^{*}}))\geq 3$. 2. (2) $n\geq 2$, $cod_{M_{\mathbb{C}}^{*}}(\textsf{Sing}(\eta_{\mathbb{C}}|_{M_{\mathbb{C}}^{*}}))\geq 2$ and $\mathcal{L}_{\mathbb{C}}$ admits a non-constant holomorphic first integral. Moreover, in both cases the foliation $\mathcal{F}_{M}$ admits a non-constant holomorphic first integral $f$ such that $M=\\{\mathcal{R}e(f)=0\\}$. ## 3\. Proof of Theorem 1 We write $F(x,y)=\mathcal{R}e(P(x,y_{1},\ldots,y_{n}))+H(x,y_{1},\ldots,y_{n}),$ where $P(x,y_{1},\ldots,y_{n})$ is one of the polynomials of the Table 1, $H:(\mathbb{C}^{n+1},0)\rightarrow(\mathbb{R},0)$ is a germ of real-analytic function such that $H(x,0)=0$ for all $x\in(\mathbb{C},0)$ and $j_{0}^{k}(H)=0$, for $k=\deg(P)$. The complexification of $F$ is given by $F_{\mathbb{C}}(x,y,z,w)=\frac{1}{2}P(x,y)+\frac{1}{2}P(z,w)+H_{\mathbb{C}}(x,y,z,w),$ thus $M_{\mathbb{C}}=\\{F_{\mathbb{C}}(x,y,z,w)=0\\}\subset(\mathbb{C}^{2n+2},0)$, where $z\in\mathbb{C}$ and $w=(w_{1},\ldots,w_{n})\in\mathbb{C}^{n}$. Since $P(x,y)$ has an ILS at $L$, we get $\textsf{Sing}(M_{\mathbb{C}})=\\{y=w=0\\}\simeq\mathbb{C}^{2}$. In particular, the algebraic dimension of $\textsf{Sing}(M)$ is $2$. On the other hand, the complexification of $\eta=i(\partial{F}-\bar{\partial}F)$ is $\eta_{\mathbb{C}}:=i[(\partial_{x}F_{\mathbb{C}}+\partial_{y}F_{\mathbb{C}})-(\partial_{z}F_{\mathbb{C}}+\partial_{w}F_{\mathbb{C}})].$ Recall that $\eta|_{M^{*}}$ and $\eta_{\mathbb{C}}|_{M^{*}_{\mathbb{C}}}$ define $\mathcal{L}$ and $\mathcal{L}_{\mathbb{C}}$ respectively. Now we compute $\textsf{Sing}(\eta_{\mathbb{C}}|_{M^{*}_{\mathbb{C}}})$. We can write $dF_{\mathbb{C}}=\alpha+\beta$, with $\alpha:=\frac{\partial{F_{\mathbb{C}}}}{\partial{x}}dx+\sum_{j=1}^{n}\frac{\partial{F_{\mathbb{C}}}}{\partial{y}_{j}}dy_{j}=\frac{1}{2}\frac{\partial{P}}{\partial{x}}(x,y)dx+\frac{1}{2}\sum_{j=1}^{n}\frac{\partial{P}}{\partial{y}_{j}}(x,y)dy_{j}+\theta_{1}$ and $\beta:=\frac{\partial{F_{\mathbb{C}}}}{\partial{z}}dz+\sum_{j=1}^{n}\frac{\partial{F_{\mathbb{C}}}}{\partial{w}_{j}}dw_{j}=\frac{1}{2}\frac{\partial{P}}{\partial{z}}(z,w)dz+\frac{1}{2}\sum_{j=1}^{n}\frac{\partial{P}}{\partial{w}_{j}}(z,w)dw_{j}+\theta_{2}$ where $\theta_{1}=\frac{\partial{H_{\mathbb{C}}}}{\partial{x}}dx+\sum_{j=1}^{n}\frac{\partial{H_{\mathbb{C}}}}{\partial{z}_{j}}dz_{j}$ and $\theta_{2}=\frac{\partial{H_{\mathbb{C}}}}{\partial{z}}dz+\sum_{j=1}^{n}\frac{\partial{H_{\mathbb{C}}}}{\partial{w}_{j}}dw_{j}$. Note that $\eta_{\mathbb{C}}=i(\alpha-\beta)$, and so $\displaystyle\eta_{\mathbb{C}}|_{M^{*}_{\mathbb{C}}}=(\eta_{\mathbb{C}}+idF_{\mathbb{C}})|_{M^{*}_{\mathbb{C}}}=2i\alpha|_{M^{*}_{\mathbb{C}}}=-2i\beta|_{M^{*}_{\mathbb{C}}}.$ (3.1) In particular, $\alpha|_{M^{*}_{\mathbb{C}}}$ and $\beta|_{M^{*}_{\mathbb{C}}}$ define $\mathcal{L}_{\mathbb{C}}$. Therefore $\textsf{Sing}(\eta_{\mathbb{C}}|_{M^{*}_{\mathbb{C}}})$ can be split in two parts. In fact, let $M_{1}:=\\{(x,y,z,w)\in M_{\mathbb{C}}|\frac{\partial{F}_{\mathbb{C}}}{\partial{z}}\neq 0$ or $\frac{\partial{F}_{\mathbb{C}}}{\partial{w_{j}}}\neq 0$ for some $j=1,\ldots,n\\}$ and $M_{2}:=\\{(x,y,z,w)\in M_{\mathbb{C}}|\frac{\partial{F}_{\mathbb{C}}}{\partial{x}}\neq 0$ or $\frac{\partial{F}_{\mathbb{C}}}{\partial{z_{j}}}\neq 0$ for some $j=1,\ldots,n\\}$, then $M_{\mathbb{C}}=M_{1}\cup M_{2}$. If we denote by $A_{0}=\frac{\partial{H_{\mathbb{C}}}}{\partial{x}}$, $A_{j}=\frac{\partial{H_{\mathbb{C}}}}{\partial{z}_{j}}$ for all $1\leq j\leq n$ and by $B_{0}=\frac{\partial{H_{\mathbb{C}}}}{\partial{z}}$, $B_{j}=\frac{\partial{H_{\mathbb{C}}}}{\partial{w}_{j}}$ for all $1\leq j\leq n$, we obtain that $\textsf{Sing}(\eta_{\mathbb{C}}|_{M^{*}_{\mathbb{C}}})=X_{1}\cup X_{2}$, where $X_{1}:=M_{1}\cap\\{\frac{\partial{P}}{\partial{x}}(x,y)+A_{0}=\frac{\partial{P}}{\partial{y}_{1}}(x,y)+A_{1}=\ldots=\frac{\partial{P}}{\partial{y}_{n}}(x,y)+A_{n}=0\\}$ and $X_{2}:=M_{2}\cap\\{\frac{\partial{P}}{\partial{z}}(z,w)+B_{0}=\frac{\partial{P}}{\partial{w}_{1}}(z,w)+B_{1}=\ldots=\frac{\partial{P}}{\partial{w}_{n}}(z,w)+B_{n}=0\\}.$ Since $P$ is a polynomial with an ILS at $L=\\{y=0\\}$, we conclude that $cod_{M^{*}_{\mathbb{C}}}\textsf{Sing}(\eta_{\mathbb{C}}|_{M^{*}_{\mathbb{C}}})=n.$ By hypothesis $n\geq 3$, then it follows from Theorem 2.3, part $(1)$ that there exists a germ $f\in\mathcal{O}_{n+1}$ such that the holomorphic foliation $\mathcal{F}$ defined by $df=0$ is tangent to $M$. Moreover $M=\\{\mathcal{R}e(f)=0\\}$. Note that if $M=\\{\mathcal{R}e(f)=0\\}=\\{F=0\\}$, with $F$ an irreducible germ, we must have that $\mathcal{R}e(f)=U\cdot F$, where $U$ is a germ of real-analytic function with $U(0)\neq 0$. Without loss of generality, we can assume that $U(0)=1$. In particular, $\mathcal{R}e(f)=U\cdot F$ implies that $f=P+h.o.t$. According to Theorem 1.1, there exists a biholomorphism $\varphi:(\mathbb{C}^{n+1},0)\rightarrow(\mathbb{C}^{n+1},0)$ preserving $L$ such that $f\circ\varphi^{-1}=P$, ($f$ is $D_{I}$-equivalent to $P$, because $f$ is a germ with ILS at $L$). Therefore, $\varphi(M)=\\{\mathcal{R}e(P)=0\\}$ and the proof ends. ## 4\. Proof of Theorem 2 The idea is to use Theorem 2.3, part (2). In order to prove our result in the case $n=2$, we are going to prove that $\mathcal{L}_{\mathbb{C}}$ has a non- constant holomorphic first integral. We begin by a blow-up along $C:=\\{y_{1}=y_{2}=w_{1}=w_{2}=0\\}\simeq\mathbb{C}^{2}\subset\mathbb{C}^{6}$. Let $F(x,y_{1},y_{2})=\mathcal{R}e(y^{2}_{1}+y^{2}_{2})+H$ and $M=\\{F=0\\}$ Levi-flat. Its complexification can be written as $F_{\mathbb{C}}(x,y_{1},y_{2},z,w_{1},w_{2})=\frac{1}{2}(y^{2}_{1}+y^{2}_{2})+\frac{1}{2}(w^{2}_{1}+w^{2}_{2})+H_{\mathbb{C}}(x,y_{1},y_{2},z,w_{1},w_{2}).$ Note that $\textsf{Sing}(M_{\mathbb{C}})=\\{y=w=0\\}=C.$ Let $E$ be the exceptional divisor of the blow-up $\pi:\tilde{\mathbb{C}}^{6}\rightarrow\mathbb{C}^{6}$ along $C$. Denote by $\tilde{M}_{\mathbb{C}}:=\overline{\pi^{-1}(M_{\mathbb{C}}\setminus\\{C\\})}\subset\tilde{\mathbb{C}}^{6}$ the strict transform of $M_{\mathbb{C}}$ via $\pi$ and by $\tilde{\mathcal{F}}:=\pi^{*}(\mathcal{L}_{\mathbb{C}})$ the foliation on $\tilde{M}_{\mathbb{C}}$. Now, we consider an especial situation. Suppose that $\tilde{M}_{\mathbb{C}}$ is smooth and set $\tilde{C}:=\tilde{M}_{\mathbb{C}}\cap E$. Moreover, assume that $\tilde{C}$ is invariant by $\tilde{\mathcal{F}}$. Take $S=\tilde{C}\setminus\textsf{Sing}\tilde{\mathcal{F}}$, then $S$ is a smooth leaf of $\tilde{\mathcal{F}}$. Pick $p_{0}\in S$ and a transverse section $\sum$ through $p_{0}$. Let $G\subset\operatorname{Diff}(\sum,p_{0})$ be the holonomy group of the leaf $S$ of $\tilde{\mathcal{F}}$. Since $\textsf{dim}(\sum)=1$, we can assume that $G\subset\operatorname{Diff}(\sum,0)$. We state a fundamental lemma. ###### Lemma 4.1 (Fernández-Pérez [9]). In the above situation, suppose that the following properties are verified: 1. (1) For any $p\in S\backslash\textsf{Sing}{(\tilde{\mathcal{F}})}$ the leaf $L_{p}$ of $\tilde{\mathcal{F}}$ through $p$ is closed in $S$. 2. (2) $g^{\prime}(0)$ is a primitive root of unity, for all $g\in G\backslash\\{id\\}$. Then $\mathcal{L}_{\mathbb{C}}$ admits a non-constant holomorphic first integral. ###### Proof. Let $G^{\prime}=\\{g^{\prime}(0)/g\in G\\}$ and consider the homomorphism $\phi:G\rightarrow G^{\prime}$ defined by $\phi(g)=g^{\prime}(0)$. We claim that $\phi$ is injective. In fact, assume that $\phi(g)=1$ and suppose by contradiction that $g\neq id$. In this case $g(z)=z+az^{r+1}+\ldots$, where $a\neq 0$. According to [12], the pseudo-orbits of this transformation accumulate at $0\in(\sum,0)$, contradicting the fact that the leaves of $\tilde{\mathcal{F}}$ are closed and so the assertion is proved. Now, it suffices to prove that any element $g\in G$ has finite order (cf. [13]). In fact, $\phi(g)=g^{\prime}(0)$ is a root of unity thus $g$ has finite order because $\phi$ is injective. Hence, all transformations of $G$ have finite order and $G$ is linearizable. This implies that there is a coordinate system $w$ on $(\sum,0)$ such that $G=\langle w\rightarrow\lambda w\rangle$, where $\lambda$ is a $d^{th}$-primitive root of unity (cf. [13]). In particular, $\psi(w)=w^{d}$ is a first integral of $G$, that is $\psi\circ g=\psi$ for any $g\in G$. Let $\Gamma$ be the union of the separatrices of $\mathcal{L}_{\mathbb{C}}$ through $0\in\mathbb{C}^{6}$ and $\tilde{\Gamma}$ be its strict transform under $\pi$. The first integral $\psi$ can be extended to a first integral $\varphi:\tilde{M}_{\mathbb{C}}\backslash\tilde{\Gamma}\rightarrow\mathbb{C}$ by setting $\varphi(q)=\psi(\tilde{L}_{q}\cap\sum),$ where $\tilde{L}_{p}$ denotes the leaf of $\tilde{\mathcal{F}}$ through $q$. Since $\psi$ is bounded (in a compact neighborhood of $0\in\sum$), so is $\varphi$. It follows from Riemann extension theorem that $\varphi$ can be extended holomorphically to $\tilde{\Gamma}$ with $\varphi(\tilde{\Gamma})=0$. This provides the first integral of $\mathcal{L}_{\mathbb{C}}$. ∎ The rest of the proof is devoted to prove that we are indeed in the conditions of Lemma 4.1. It is follows from Lemma 2.1 that the leaves of $\mathcal{L}_{\mathbb{C}}$ are closed. Therefore, we need to prove that each generator of the holonomy group $G$ of $\tilde{\mathcal{F}}$ with respect to $S$ has finite order. Consider for instance the chart $(U_{1},(x,t,s,z,u,v))$ of $\tilde{\mathbb{C}}^{6}$ where $\pi(x,t,s,z,u,v)=(x,tu,su,z,u,vu)=(x,y_{1},y_{2},z,w_{1},w_{2}).$ We have $\tilde{M}_{\mathbb{C}}\cap U_{1}=\\{(x,t,s,z,u,v)\in U_{1}|1+t^{2}+s^{2}+v^{2}+uH_{1}(x,t,s,z,u,v)=0\\},$ where $H_{1}=H(x,ut,us,z,u,uv)/u^{3}$ and this fact imply that $E\cap\tilde{M}_{\mathbb{C}}\cap U_{1}=\\{(x,t,s,z,u,v)\in U_{1}|1+t^{2}+s^{2}+v^{2}=u=0\\}.$ It is not difficult to see that these complex subvarieties are smooth. Now, let us describe the foliation $\tilde{\mathcal{F}}$ on $U_{1}$. In fact, note that the foliation $\mathcal{L}_{\mathbb{C}}$ is defined by $\alpha|_{M^{*}_{\mathbb{C}}}=0$, where $\alpha=\frac{1}{2}\frac{\partial{P}}{\partial{x}}dx+\frac{1}{2}\frac{\partial{P}}{\partial{y_{1}}}dy_{1}+\frac{1}{2}\frac{\partial{P}}{\partial{y_{2}}}dy_{2}+\frac{\partial{H}_{\mathbb{C}}}{\partial{x}}dx+\sum^{2}_{j=1}\frac{\partial{H}_{\mathbb{C}}}{\partial{y_{j}}}dy_{j}.$ It follows that $\alpha=y_{1}dy_{1}+y_{2}dy_{2}+\frac{\partial{H}_{\mathbb{C}}}{\partial{x}}dx+\sum^{2}_{j=1}\frac{\partial{H}_{\mathbb{C}}}{\partial{y_{j}}}dy_{j}$, then $\tilde{\mathcal{F}}|_{U_{1}}$ is defined by $\tilde{\alpha}|_{\tilde{M}_{\mathbb{C}}\cap U_{1}}=0$, where $\displaystyle\tilde{\alpha}=(t^{2}+s^{2})du+utdt+usds+u\tilde{\theta},$ (4.1) and $\tilde{\theta}=\frac{\pi^{*}(\frac{\partial{H_{\mathbb{C}}}}{\partial{x}}dx+\sum^{2}_{j=1}\frac{\partial{H_{\mathbb{C}}}}{\partial{y_{j}}}dy_{j})}{u^{2}}.$ Therefore, the singular set of $\tilde{\mathcal{F}}|_{U_{1}}$ is given by $\textsf{Sing}\tilde{\mathcal{F}}|_{U_{1}}=\\{u=t+is=0\\}\cup\\{u=t-is=0\\}.$ On the other hand, note that the exceptional divisor $E$ is invariant by $\tilde{\mathcal{F}}$ and the intersection with $\textsf{Sing}\widetilde{\mathcal{F}}$ is $\textsf{Sing}\tilde{\mathcal{F}}|_{U_{1}}\cap E=\\{u=t+is=v^{2}+1=0\\}\cup\\{u=t-is=v^{2}+1=0\\}.$ In particular, $S:=(E\cap\tilde{M}_{\mathbb{C}})\backslash\textsf{Sing}\widetilde{\mathcal{L}}_{\mathbb{C}}$ is a leaf of $\widetilde{\mathcal{F}}$. We calculate the generators of the holonomy group $G$ of the leaf $S$. We work in the chart $U_{1}$, because of the symmetry of the variables in the definition of the variety $\tilde{M}_{\mathbb{C}}$. Pick $p_{0}=(0,1,0,0,0,0)\in S\cap U_{1}$ and a transversal $\sum=\\{(0,1,0,0,\lambda,0)|\lambda\in\mathbb{C}\\}$ parameterized by $\lambda$ at $p_{0}$. We have that $\textsf{Sing}\tilde{\mathcal{F}}|_{U_{1}}\cap E=\\{u=t+is=v^{2}+1=0\\}\cup\\{u=t-is=v^{2}+1=0\\}.$ For each $j=1,2$; let $\rho_{j}$ be a $2^{td}$-primitive root of $-1$. The fundamental group $\pi_{1}(S,p_{0})$ can be written in terms of generators as $\pi_{1}(S,p_{0})=\langle\gamma_{j},\delta_{j}\rangle_{1\leq j\leq 2},$ where for each $j=1,2$; $\gamma_{j}$ are loops that turn around $\\{u=t+is=v-\rho_{j}=0\\}$ and $\delta_{j}$ are loops that turns around $\\{u=t-is=v-\rho_{j}=0\\}$. Therefore, $G=\langle f_{j},g_{j}\rangle_{1\leq j\leq 2}$, where $f_{j}$ and $g_{j}$ correspond to $[\gamma_{j}]$ and $[\delta_{j}]$, respectively. We get from (4.1) that $f^{\prime}_{j}(0)=e^{-\pi i}$ and $g^{\prime}_{j}(0)=e^{-\pi i}$ for all $1\leq j\leq 2$. The proof of the theorem is complete. ## 5\. Levi-flat hypersurfaces with a complex line as singularity In this section, we work with the system of coordinates $(z_{1},\ldots,z_{n})\in\mathbb{C}^{n}$. The canonical local models examples of Levi-flat hypersurfaces $M$ in $\mathbb{C}^{3}$ such that $\textsf{Sing}(M)=L=\\{z_{1}=z_{2}=0\\}$ are $\\{\mathcal{R}e(z^{2}_{1}+z^{2}_{2})=0\\}$ and $\\{z_{1}\bar{z}_{2}-\bar{z}_{1}z_{2}=0\\}$. Recently, Burns and Gong [2] classified, up to local biholomorphism, all germs of quadratic Levi-flat hypersurfaces. Namely, up to biholomorphism, there is only five models: Type | Normal form | Singular set ---|---|--- $Q_{0,2k}$ | $\mathcal{R}e(z_{1}^{2}+z_{2}^{2}+\ldots+z^{2}_{k})$ | $\mathbb{C}^{n-k}$ $Q_{1,1}$ | $z^{2}_{1}+2z^{2}_{1}\bar{z}_{1}+z^{2}_{1}$ | empty $Q^{\lambda}_{1,2}$ | $z^{2}_{1}+2\lambda z^{2}_{1}\bar{z}_{1}+z^{2}_{1}$ | $\mathbb{C}^{n-1}$ $Q_{2,2}$ | $(z_{1}+\bar{z}_{1})(z_{2}+\bar{z}_{2})$ | $\mathbb{R}^{2}\times\mathbb{C}^{n-2}$ $Q_{2,4}$ | $z_{1}\bar{z}_{2}-\bar{z}_{1}z_{2}$ | $\mathbb{C}^{n-2}$ Table 2. Levi-flat quadrics We address the problem of provide conditions to characterize singular Levi- flat hypersurfaces with a complex line as singularity. Using the classification due to Burns and Gong [2], it is not hard to prove the following proposition. ###### Proposition 5.1. Suppose that $M$ is a quadratic real-analytic Levi-flat hypersurface in $\mathbb{C}^{n}$, $n\geq 3$ such that $\textsf{Sing}(M)=\\{z_{1}=z_{2}=\ldots=z_{n-1}=0\\}$. Then 1. (1) If $n=3$, $M$ is biholomorphically equivalent to $Q_{0,2}$ or $Q_{2,4}$. 2. (2) If $n\geq 4$, $M$ is biholomorphically equivalent to $Q_{0,2(n-1)}$. ###### Proof. To prove part (1), observe that only there are two models of $M$ which admits $\textsf{Sing}(M)=\\{z_{1}=z_{2}=0\\}$ as singularity, $Q_{0,2}$ or $Q_{2,4}$. Now to prove part (2), note that if $n\geq 4$, the real hypersurface $\\{z_{1}\bar{z}_{2}-\bar{z}_{1}z_{2}=0\\}$ has a complex subvariety of dimension $n-2$ as singularity. It is follows that $M$ is biholomorphically equivalent to $Q_{0,2(n-1)}$. ∎ In order to obtain a characterization, we define the Segre varieties associated to real-analytic hypersurfaces. Let $M$ be a real-analytic hypersurface defined by $\\{F=0\\}$. Fix $p\in M$, the Segre variety associated to $M$ at $p$ is the complex variety in $(\mathbb{C}^{n},p)$ defined by $Q_{p}:=\\{z\in(\mathbb{C}^{n},p):F_{\mathbb{C}}(z,\bar{p})=0\\}.$ (5.1) Now assume that $M$ is Levi-flat and denote by $L_{p}$ the leaf of $\mathcal{L}$ through $p\in M^{*}$. We denote by $Q^{\prime}_{p}$ the union of all branches of $Q_{p}$ which are contained in $M$. Observe that $Q^{\prime}_{p}$ could be the empty set when $p\in\textsf{Sing}(M)$. Otherwise, it is a complex variety of pure dimension $n-1$. The following result is classical, we proved it here for completeness. ###### Proposition 5.2. In above situation, $L_{p}$ is an irreducible component of $(Q_{p},p)$ and $Q^{\prime}_{p}=L_{p}$. ###### Proof. Since $p\in M^{*}$, E. Cartan’s theorem assures that there exists a holomorphic coordinate system such that near of $p$, $M$ is given by $\\{\mathcal{R}e(z_{n})=0\\}$ and $p$ is the origin. In this coordinates system the foliation $\mathcal{L}$ is defined by $dz_{n}|_{M^{*}}=0$. In particular, $L_{0}=\\{z_{n}=0\\}$ and obviously $\\{z_{n}=0\\}$ is a branch of $Q_{0}$. Furthermore, $L_{0}$ is the unique germ of complex variety of pure dimension $n-1$ at $0$ which is contained in $M$. Hence $Q^{\prime}_{0}=L_{0}$. ∎ Let $p\in\textsf{Sing}(M)$, we say that $p$ is a Segre degenerate singularity if $Q_{p}$ has dimension $n$, that is, $Q_{p}=(\mathbb{C}^{n},p)$. Otherwise, we say that $p$ is a Segre nondegenerate singularity. Suppose that $M$ is defined by $\\{F=0\\}$ in a neighborhood of $p$, observe that $p$ is a degenerate singularity of $M$ if $z\longmapsto F_{\mathbb{C}}(z,\bar{p})$ is identically zero. ###### Remark 5.3. If $V$ is a germ of complex variety of dimension $n-1$ contained in $M$ then for $p\in V$, we have $(V,p)\subset(Q_{p},p)$. In particular, if there exists distinct infinitely many complex varieties of dimension $n-1$ through $p\in M$ then $p$ is a Segre degenerate singularity. To continuation, we consider a germ at $0\in\mathbb{C}^{n}$ of a codimension one singular holomorphic foliation $\mathcal{F}$. ###### Definition 5.4. We say that $\mathcal{F}$ and $M$ are tangent, if the leaves of the Levi foliation $\mathcal{L}$ on $M$ are also leaves of $\mathcal{F}$. ###### Definition 5.5. A meromorphic (holomorphic) function $h$ is called a meromorphic (holomorphic) first integral for $\mathcal{F}$ if its indeterminacy (zeros) set is contained in $\textsf{Sing}(\mathcal{F})$ and its level hypersurfaces contain the leaves of $\mathcal{F}$. Recently, Cerveau and Lins Neto proved the following result. ###### Theorem 5.6 (Cerveau-Lins Neto [4]). Let $\mathcal{F}$ be a germ at $0\in\mathbb{C}^{n}$, $n\geq{3}$, of holomorphic codimension one foliation tangent to a germ of an irreducible real analytic hypersurface $M$. Then $\mathcal{F}$ has a non-constant meromorphic first integral. In our context, we prove the following result. ###### Theorem 5.7. Let $M$ be a germ at $0\in\mathbb{C}^{n}$, $n\geq 3$ of an irreducible real- analytic Levi-flat hypersurfaces such that $\textsf{Sing}(M)=L:=\\{z_{1}=z_{2}=\ldots=z_{n-1}=0\\}$. Suppose that: 1. (1) Every point in $\textsf{Sing}(M)$ is a Segre nondegenerate singularity. 2. (2) The Levi-foliation $\mathcal{L}$ on $M^{*}$ extends to a holomorphic foliation $\mathcal{F}$ in some neighborhood of $M$. Then there exists $f\in\mathcal{O}_{n}$ and a real-analytic curve $\gamma\subset\mathbb{C}$ such that $M=f^{-1}(\gamma)$. ###### Proof. Since the Levi-foliation $\mathcal{L}$ on $M^{*}$ extends to a holomorphic foliation $\mathcal{F}$, we can apply directly Theorem 5.6, this means that $\mathcal{F}$ has a non-constant meromorphic first integral $f=g/h$, where $g$ and $h$ are relatively prime. We asserts that $f$ is holomorphic. In fact, if $f$ is purely meromorphic, we have that for all $\zeta\in\mathbb{C}$, the complex hypersurfaces $V_{\zeta}=\\{g(z)-\zeta h(z)=0\\}$ contains leaves of $\mathcal{F}$. In particular, $M$ contains an infinitely many of hypersurfaces $V_{\zeta}$, because $M$ is closed and $\mathcal{F}$ is tangent to $M$. Set $\Lambda:=\\{\zeta\in\mathbb{C}:V_{\zeta}\subset M\\}$. Note also that the foliation $\mathcal{F}$ is singular at $L$, so that $\mathcal{I}_{f}:=\\{h=g=0\\}$ the indeterminacy set of $f$ intersect $L$. Therefore, we have a point $q$ at $\mathcal{I}_{f}\cap L$ which would be a Segre degenerate singularity, because $q\in V_{\zeta}$, for all $\zeta\in\Lambda$. It is a contradiction and the assertion is proved. The foliation $\mathcal{F}$ is defined by $df=0$, $f\in\mathcal{O}_{n}$ and is tangent to $M$. Without loss generality, we can assume that $f$ is an irreducible germ in $\mathcal{O}_{n}$. According to a remark of Brunella [3, pg. 8], there exists a real-analytic curve $\gamma\subset\mathbb{C}$ through the origin such that $M=f^{-1}(\gamma)$. ∎ ###### Remark 5.8. In [11], J. Lebl gave conditions for the Levi-foliation on $M^{*}$ does extended to a holomorphic foliation. One could be considered these hypothesis and establish a theorem more refined. Note also that if $\textsf{Sing}(M)$ is a germ of smooth complex curve, it is possible adapted the proof of Theorem 5.7. In general, the holomorphic extension problem for the Levi-foliation of a Levi-flat real-analytic hypersurface remains open and is of independent interest, for more details see [8]. Acknowledgments.– This work was partially supported by PRPq - Universidade Federal de Minas Gerias UFMG 2013 and FAPEMIG APQ-00371-13. I would like to thank Maurício Corrêa JR for his comments and suggestions, and the referee for pointing out corrections. ## References * [1] V.I. Arnold: Normal forms of functions near degenerate critical points, the Weyl groups $A_{k},D_{k},E_{k}$ and Lagrangian singularities. Funkcional. Anal. i Priložen. (6), no. 4, pp. 3-25, (1972). * [2] D. Burns, X. Gong: Singular Levi-flat real analytic hypersurfaces. Amer. J. Math. 121, no. 1, pp. 23-53, $(1999)$. * [3] M. Brunella: Some remarks on meromorphic first integrals. Enseign. Math. (2), 58 (3-4): 315-324, $(2012)$. * [4] D. Cerveau, A. Lins Neto: Local Levi-Flat hypersurfaces invariants by a codimension one holomorphic foliation. Amer. J. Math. 133, no. 3, pp. 677-716, $(2011)$. * [5] A. H. Durfee: Fifteen characterizations of rational double points and simple critical points. Enseign. Math. 25, pp. 131-163, (1979). * [6] A. Fernández-Pérez: Singular Levi-flat hypersurfaces. An approach through holomorphic foliations. Ph. D. Thesis IMPA - Brazil (2010). * [7] A. Fernández-Pérez: On normal forms of singular Levi-flat real analytic hypersurfaces. Bull. Braz. Math. Soc. 42 (1), pp. 75-85, (2011). * [8] A. Fernández-Pérez: On Levi-flat hypersurfaces with generic real singularities. J. Geom. Anal. v. 23, pp. 2020-2033, (2013). * [9] A. Fernández-Pérez: Normal forms of Levi-flat hypersurfaces with Arnold type singularities. Ann. Sc. Norm. Super. Pisa Cl. Sci. (2014, to appear) doi:10.2422/2036-2145.201112_003 * [10] J. Lebl: Algebraic Levi-flat hypervarieties in complex projective space. J. Geom. Anal. 22 (2), 410-432, (2012). * [11] J. Lebl: Singular set of a Levi-flat hypersurface is Levi-flat. Math. Ann. 355. no. 3. pp. 1177-1199, (2013). * [12] F. Loray: Pseudo-groupe d’une singularité de feuilletage holomorphe en dimension deux. Avaliable in http://hal.archives-ouvertures.fr/ccsd-00016434 * [13] J.F. Mattei, R. Moussu: Holonomie et intégrales premières. Ann. Ec. Norm. Sup. 13, pp. 469-523, $(1980)$. * [14] D. Siersma: Isolated line singularity. Proc. of Symposia in Pure Math. (2) 40, pp. 485-496, $(1983)$. * [15] A. Zaharia: Characterizations of simple isolated line singularities. Canad. Math. Bull. Vol. 42 (4), pp. 499-506, (1999).
arxiv-papers
2013-04-09T17:23:13
2024-09-04T02:49:44.056904
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Arturo Fern\\'andez-P\\'erez", "submitter": "Arturo Fernandez", "url": "https://arxiv.org/abs/1304.2669" }
1304.2780
# Direct Ultraviolet Imaging and Spectroscopy of Betelgeuse A. K. Dupree and R. P. Stefanik Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 USA ###### Abstract Direct images of Betelgeuse were obtained over a span of 4 years with the Faint Object Camera on the Hubble Space Telescope. These images reveal the extended ultraviolet continuum emission ($\sim$2 times the optical diameter), the varying overall ultraviolet flux levels and a pattern of bright surface continuum features that change in position and appearance over several months or less. Concurrent photometry and radial velocity measures support the model of a pulsating star, first discovered in the ultraviolet from IUE. Spatially resolved HST spectroscopy reveals a larger extention in chromospheric emissions of Mg II as well as the rotation of the supergiant. Changing localized subsonic flows occur in the low chromosphere that can cover a substantial fraction of the stellar disk and may initiate the mass outflow. ††slugcomment: European Astronomical Society Publication Series, 2013, Eds. P. Kervella, Th. Le Bertre & G. Perrin, in press ## 1 Introduction Alpha Orionis (Betelgeuse) has been long and well-studied with a variety of ground and space-based techniques as a prototypical supergiant. Ultraviolet observations have been particularly useful because they probe the very outer layers of this star and can pinpoint the onset of outflowing material and indicate the driving mechanisms behind the mass loss from the star (Dupree 2010). In fact the monitoring of the flux from Betelgeuse shows that its photometric behavior and its ’spottedness’ differ from the signals of magnetic activity found in the Sun and active cool stars. The long-lived IUE satellite clearly demonstrated the presence of periodic fluctuations and a traveling disturbance in the outer atmosphere (Dupree et al. 1987). And the Hubble Space Telescope with its Faint Object Camera acquired the first direct image of a star other than the Sun (Gilliland & Dupree 1996) which in concert with ground-based photometry and spectroscopy and further ultraviolet imaging reveals the extent and characteristics of the supergiant’s variability. Figure 1: Panels showing the V magnitude from the AAVSO photoelectric database (Henden 2012), the UV continuum and the Mg II k-line flux measured from IUE spectra, and the radial velocity. In the bottom panel, measurements denoted by the plus-symbol (+) are taken from Smith et al. (1989); the open diamonds ($\diamond$) represent measures from Oak Ridge Observatory. The radial velocity measures are generally made from photospheric neutral metal lines. A discontinuity occurs between the two sets of radial velocity measures; this discontinuity appears to be real, since no cause has been identified. ## 2 Spatially Unresolved Photometry and Spectroscopy Over a time span of $\sim$ 16 years, photometry in the V-band and the ultraviolet continuum ($\lambda\lambda$ 2950–3050Å), the Mg II k-line emission flux, and the radial velocity are shown in Fig. 1. For $\sim$3 years (JD 6000-7400, mod JD2440000), the chromosphere displayed a brightness fluctuation with a period of 420 days (Dupree et al. 1987) which later became substantially weaker, and then disappeared entirely. The appearance of a period suggests that the global brightness variations do not arise from the appearance of convection cells on the surface which would not be expected to be periodic. A period of $\sim$400 d is consistent with models of fundamental pulsation modes of the star (Lovy et al. 1984, Stothers 2010). From Fig. 1, it is apparent that the continuum brightenings are correlated with the high chromospheric (Mg II) brightenings. This is also a clue that Betelgeuse’s behavior is not the result of magnetically active ’star spots’. Cool stars with magnetic activity are well-known to show an anti-correlation between photometric brightenings and chromospheric activity. When classical star spots are present, they are cooler and photometrically ’dark’, the continuum flux decreases, and chromospheric emission lines become stronger as a result of magnetically-associated chromospheric heating. The V-magnitude decreases during three instances (JD7600, JD9100, JD9800, mod JD2440000) where the UV continuum measures, observed simultaneously with V-band photometry exhibits a decreased flux. Additionally, the flux modulation in Betelgeuse is substantial … about a factor of 2 in the lines and continuum … and such an excursion surpasses that found in low gravity magnetically active stars such as RS Cvn binaries. An indication of the presence of a travelling wave in the atmosphere comes from measures of the B-magnitude variations and the flux in the chromospheric lines reported in Dupree et al. (1987). On several occasions during the time when the 420-day period was evident, the B magnitude became faint and then recovered while, after a delay of 55 days, the Mg II h-line flux became faint and subsequently recovered. If a propagating wave caused the decrease in emission measure, followed by an increase, and this wave travelled at $\sim$2 km s-1, it would cover a reasonable distance of 0.1 R⋆ in 55 days, using the larger distance of Betelgeuse (191 pc) suggested by Harper et al. (2008). Observation of the variation of the Mg II h and k lines suggests a lag of $\sim$70 days beween the h and k line variations. Because the opacity in the k-line is larger than the h-line, the k-line is formed further out in the atmosphere and the lag in flux variation between this two lines again is consistent with a propagating disturbance. The radial velocity measures might offer additional information. The values displayed in Fig. 1 (lower panel) suggest a long-term variability ($\sim$13 yr) on which shorter variations ($\sim$400 d) are superposed. In a Cepheid star, the light maximum is close to but does not always coincide with the maximum velocity of approach (cf. Robinson & Hoffleit 1932; Bersier 2002). One CS Mira star, R CMi, has shown light maximum after maximum velocity infall (Jorissen 2004, and Lion et al. 2013). Detailed study shows the velocity pattern in Miras is complex and varies with the line diagnostic (Hinkle et al. 1982). Inspection of Fig. 1 shows an inconsistent pattern at many light maxima in Betelgeuse. For instance, the V-magnitude displays brightenings at JD8600, JD 10800, JD 11200 (mod JD2440000) coincident with the radial velocity corresponding to a local infall maximum - not subsequent to the infall maximum as seen in a Mira variable. However, the data at JD9800 exhibit a minimum V-magnitude brightness, yet the radial velocity measures signal maximum inflow. Gaps in the observational measures obviously can compromise conclusions here. The spatially resolved observations discussed later in this paper appear to offer an explanation of the radial velocity behavior, suggesting that a clean interpretation and seeking similarity with other pulsating stars remains challenging. In sum, the spatially unresolved measures suggest that pulsation phenomena could dominate the photometric variability of Betelgeuse, but the details do not consistently replicate in detail what is found in globally pulsating Cepheid stars or in Mira giants. ## 3 Direct UV Imaging of Betelgeuse The Faint Object Camera on HST was used (Gilliland & Dupree 1996) to image Betelgeuse directly in the ultraviolet continuum ($\lambda$2550Å). This first direct image of the surface of a star other than the Sun provided about 10 resolution elements on the ultraviolet disk (38 mas point spread function) which has a diameter about 2.2 times larger than the optical diameter. This image revealed a bright spot in the SW quadrant of the star which comprised 10% of the area and 20% of the flux from Betelgeuse at that time. Subsequently, we followed up with similar ultraviolet images spanning 4.1 years. All of the images were obtained with a combination of filters: a medium-band filter (F253M) was crossed with a second UV filter, F220W, and 4 magnitudes of neutral-density filter inserted also. These images are shown in Fig. 2 where different scalings are used in the upper and lower panel set. Each of these images contains the comparison star, HZ 4, taken during the first visit of HST ($t=0$) demonstrating the extended nature of Betelgeuse in the ultraviolet. When the images are scaled to the same exposure time (Fig. 2, top panels), it is obvious that the total ultraviolet flux not surprisingly varies on a time scale of months. The lower panels in Fig. 2 show the same images scaled to the brightest pixel. This figure reveals the changing brightness pattern across the stellar chromosphere. The single bright area found at $t=0$ becomes smaller and fainter over the next 2.6 yr, then appears to move to the north, and becomes greatly extended in the 3.5 yr observation, approximately ’circling’ the spot in the original ($t=0$) image, before fading in the final image at 4.1 yr. The bright spots seem to stay in approximately the same position on the star. We find no large excursion to the stellar limb in the position of the bright spot. Characteristics of the UV images are shown in Fig. 3 with respect to the V magnitude and the radial velocity. The mean UV flux from the HST images (third panel) generally tracks the V magnitude. In fact, the faintest excursion in magnitude is in harmony with the lowest value of the UV flux, and the times of brightest optical magnitude generally agree with the brightest UV flux. The relation beween UV flux and radial velocity is not so clear. The highest infall velocity occurs twice during the HST observations, and at these times the Figure 2: Top 2 panels: UV images scaled to the same exposure time, 3559 s, which corresponds to the longest summed exposure. Lower 2 panels: UV (F253M) dithered image scaled to the brightest pixel. mean UV flux is first at a minimum and then at a maximum value. A Voigt profile was fit to the UV continuum images and the full width at half maximum (FWHM) is also shown in Fig. 3 (bottom panel). There does not appear to be a relationship between the diameter of the UV image and the photospheric radial velocity. During the time span of the HST images, the V magnitude displays a period of 366 days whereas the period found for the radial velocity variation is 440 days. These periods were derived using the Lomb-Scargle technique for irregularly-spaced data after removing a linear trend (Horne & Baliunas 1986). The absence of correlations may be understood from the results of the spatially resolved spectra discussed below. Figure 3: These panels relate the magnitude and metal-line radial velocity to the HST measures of flux and stellar diameter. The broken lines are meant to guide the eye. Long term trends have been removed with a second-order polynomial from the V magnitude and radial velocity values. Figure 4: UV image of Betelgeuse with the sense of rotation shown as a wire frame (Uitenbroek et al. 1998). At the same time of the first UV image, spatially resolved UV spectra were obtained (Uitenbroek et al. 1998) in the near ultraviolet region that included both the resonance Mg II emission lines and several photospheric absorption lines. The absorption lines from the spatial scan NW to SE across the stellar disk displayed a systematic shift from negative to positive velocities with a total amplitude $\sim$10 km s-1. This behavior is interpreted as due to the rotation of the star. Uitenbroek et al. proposed that the bright spot coincided with the pole of rotation (which is also consistent with the measures of the angle of highest polarization), making the inclination of the rotation axis of the star 20∘ from the line of sight (see Fig. 4). This inclination, coupled with the measured 5 km s-1 rotation velocity suggests that the deprojected radial velocity is 14.6 km s-1, and the rotational period is 25.5 yr at a distance of 191 pc. Thus it appears plausible that the bright spots shown in Fig. 2 emerge preferentially around the pole of the star. Figure 5: The flow velocity in the low chromosphere, as inferred from modeling of the Si I line, $\lambda$2516, observed with STIS (the 7 STIS aperture positions are marked by broken lines) at time $\Delta t=4.1yr$. The length and direction of the arrows indicate the magnitude of the velocity and the direction of flow (Lobel & Dupree 2001). ## 4 Spatially Resolved Spectroscopy STIS, the Space Telescope Imaging Spectrograph on HST possesses a narrow aperture (25 $\times$ 100 mas) which offers true spatial resolution for the ultraviolet emission lines of Betelgeuse since they have a diameter of $\sim$270 mas or larger. In addition, line profiles of several neutral and singly ionized species that occur in the near-ultraviolet exhibit centrally- reversed emission which serves as a diagnostic of mass motions in the atmosphere. Lobel & Dupree (2001) detected changes in many profiles with spatial position on the disk that indicated both outflowing and inflowing chromospheric material with velocities $\sim$2 km s-1. These velocities change with position on the disk and also with time. Detailed non-LTE models in spherical geometry were constructed to match the profiles of many lines including Fe I, Fe II, Si I, and Al II. The 4 spectroscopic observations spanned 1.3 yr with sampling of about 0.3 yr. These began at $t=2.8$ yr corresponding to the times in Fig. 2. Beginning at $t=2.8$ yr, the flow pattern in the low chromosphere changed from a global decelerating inflow to outflow in one quadrant and subsequently the outflow extended to almost the whole stellar hemisphere (Fig. 5). The spatially resolved spectroscopy reveals that the outer atmosphere of Betelgeuse does not behave in a global fashion but that asymmetric time dependent dynamics are present. ## 5 Conclusions When observed as a star, the photosphere and chromosphere of Betelgeuse are subject to a semi-periodic travelling oscillation with a period of $\sim$400 days. This period can be coherent for $\sim$4 years. Spatially resolved imaging shows that the image size in the near ultraviolet continuum ($\lambda$ 2550Å) exceeds the optical diameter (taken as 55 mas) by about a factor of 2.2, and the chromospheric Mg II lines extend even further … to a diameter $\sim$4 times that of the optical. Bright regions occur on the ultraviolet disk that change in position and strength over a period of months. They appear to be localized around the rotational pole of the star. Spatially resolved spectroscopy demonstrates that the low chromosphere does not behave uniformly, but that the dynamics are complex. We have discovered gradually changing inflow and outflow patterns suggesting asymmetric mass motions. Such behavior obviously complicates the interpretation of the spatially unresolved radial velocity measures. We acknowledge with thanks the variable star observations from the AAVSO International Database contributed by observers worldwide and used in this research. ## References * (1) * (2) Bersier, D. 2002, ApJS, 140, 265 * (3) * (4) Dupree, A. K. 2010, in Physics of Sun and Star Spots, ed. D. P. Choudhary & K. G. Strassmeier, Proc IAU Symp. 273, 188 * (5) * (6) Dupree, A. K., Baliunas, S. L., Guinan, E. F., Hartmann, L., Nassiopoulos, G. E., & Sonneborn, G. 1987, ApJ, 317, L85 * (7) Gilliland, R. L., & Dupree, A. K. 1996, ApJ, 463, L29 * (8) Harper, G. M., Brown, A., & Guinan, E. F. 2008, AJ, 135, 1430 * (9) * (10) Henden, A. A., 2012, Observations from the AAVSO International Database, private communication * (11) * (12) Hinkle, K. H., Hall, D. N. B., & Ridgway, S. T. 1982, ApJ, 252, 697 * (13) * (14) Horne, J. H., & Baliunas, S. L. 1986, ApJ., 302, 757 * (15) * (16) Jorissen, A. 2004, in Asymptotic Giant Branch Stars, ed. H. Habing & H. Olofsson, (Berlin: Springer), p. 461 * (17) * (18) Lion, S., Van Eck, S., Chiavassa, A., Plez, B., & Jorissen, A. 2013, this volume * (19) * (20) Lobel, A., & Dupree, A. K. 2001, ApJ, 558, 815 * (21) * (22) Lovy, D., Maeder, A., Noels, A. & Gabriel, M. 1984, A&A, 133, 307 * (23) * (24) Robinson, L. V., & Hoffleit, D. 1932, Harvard College Observatory Bulletin No. 888, 12. * (25) * (26) Smith, M. A., Patten, B. M., & Goldberg, L. 1989, AJ, 98, 2233 * (27) Stothers, R. B. 2010, ApJ, 725, 1170 * (28) * (29) Uitenbroek, H., Dupree, A. K., & Gilliland, R. L. 1998, AJ, 116, 2501
arxiv-papers
2013-04-09T20:01:08
2024-09-04T02:49:44.069362
{ "license": "Public Domain", "authors": "A. K. Dupree and R. P. Stefanik", "submitter": "Andrea Dupree", "url": "https://arxiv.org/abs/1304.2780" }
1304.2960
# Standardized network reconstruction of E. coli metabolism Kieran Smallbone _Manchester Centre for Integrative Systems Biology_ _131 Princess Street, Manchester M1 7DN, UK_ [email protected] ###### Abstract We have created a genome-scale network reconstruction of Escherichia coli metabolism. Existing reconstructions were improved in terms of annotation standards, to facilitate their subsequent use in dynamic modelling. The resultant network is available from EcoliNet (http://ecoli.sf.net/). ## EcoliNet The structure of metabolic networks can be determined by a reconstruction approach, using data from genome annotation, metabolic databases and chemical databases [1]. We built upon an existing reconstruction of the metabolic network of E. coli that was based on genomic and literature data (known as iJO1366, [2]). This model contains 1366 genes, 2251 metabolic reactions, and 1136 unique metabolites. Comparison to experimental data sets shows that it makes accurate phenotypic predictions of growth on different substrates and for gene knockout strains [2]. iJO1366 suffers from the use of non-standard names and is not annotated with methods that are machine-readable. The model was thus updated according to existing community-driven annotation standards [3]. The reconstruction is described and made available in Systems Biology Markup Language (SBML) (http://sbml.org/, [4]), an established community XML format for the mark-up of biochemical models that is understood by a large number of software applications. The network is available from EcoliNet (http://ecoli.sf.net/). ### Annotation The highly-annotated network is primarily assembled and provided as an SBML file. Specific model entities, such as species or reactions, are annotated using ontological terms. These annotations, encoded using the resource description framework (RDF) [5], provide the facility to assign definitive terms to individual components, allowing software to identify such components unambiguously and thus link model components to existing data resources [6]. Minimum Information Requested in the Annotation of Models (MIRIAM, [7]) –compliant annotations have been used to identify components unambiguously by associating them with one or more terms from publicly available databases registered in MIRIAM resources [8]. Thus this network is entirely traceable and is presented in a computational framework. Nine different databases are used to annotate entities in the network (see Table 1). The Systems Biology Ontology (SBO) [9] is also used to semantically discriminate between entity types. Eight different SBO terms are used to annotate entities in the network (see Table 2). example | identifier | database ---|---|--- EcoliNet | 562 | taxonomy EcoliNet | 21988831 | pubmed cytoplasm | GO:0005737 | obo.go (-)-ureidoglycolate | C00603 | kegg.compound (-)-ureidoglycolate | CHEBI:57296 | chebi glgB | eco:b3432 | kegg.genes glgB | P07762 | uniprot 1,4-alpha-glucan branching enzyme | 2.4.1.18 | ec-code 2-dehydro-3-deoxygalactonokinase | 1555810845 | isbn Table 1: MIRIAM annotations used in the model. example | SBO term | interpretation ---|---|--- cytoplasm | 290 | compartment (-)-ureidoglycolate | 247 | metabolite tRNA (Glu) | 250 | ribonucleic acid glgB | 252 | enzyme 1,4-alpha-glucan branching enzyme | 176 | biochemical reaction 1,4-alpha-glucan transport | 185 | transport reaction biomass objective function | 397 | modelling reaction glgB $\rightarrow$ 1,4-alpha-glucan branching enzyme | 460 | catalyst Table 2: SBO terms used in the model. ### Use We maintain the distinction between the E. coli GEnome scale Network REconstruction (GENRE) [10] and its derived GEnome scale Model (GEM) [11]. This is important to differentiate between the established biochemical knowledge included in a GENRE and the modelling assumptions required for analysis or simulation with a GEM. A GENRE serves as a structured knowledge base of established biochemical facts, while a GEM is a model which supplements the established biochemical information with additional (potentially hypothetical) information to enable computational simulation and analysis [12]. Reactions added to the GEM include the biomass objective function – a sink representing cellular growth – and hypothetical transporters. Three versions of the network are made available: * • <organism>_<version>.xml, a GEM for use in flux analyses, provided in Flux Balance Constraints (FBC) format [13] * • <organism>_<version>_cobra.xml, the same GEM network, provided in Cobra format [14] * • <organism>_<version>_recon.xml, a GENRE containing only reactions for which there is experimental evidence ## YeastNet YeastNet is an annotated metabolic network of Saccharomyces cerevisiae S288c that is periodically updated by a team of collaborators from various research groups. It started on the shoulders of previous reconstructions of the yeast metabolic network that were published separately (iLL672 [15] and iMM904 [16]). However, due to the different approaches utilised, those earlier reconstructions had a significant number of differences. A community effort in 2007 resulted in a consensus network representation of yeast metabolism, reconciling the earlier results. As of December 2012, six versions of the network have been released (see Table 3). version | date | publications ---|---|--- 1 | February 2008 | [3] 2 | June 2009 | – 3 | October 2009 | – 4 | March 2010 | [17] 5 | September 2011 | [12] 6 | December 2012 | – Table 3: Development of YeastNet The EcoliNet and YeastNet networks are structured identically to facilitate comparative studies. YeastNet is available from http://yeast.sf.net/. #### Acknowledgements This work is deliverable 4.1 of the EU FP7 (KBBE) grant 289434 “BioPreDyn: New Bioinformatics Methods and Tools for Data-Driven Predictive Dynamic Modelling in Biotechnological Applications”. ## References * [1] Palsson BØ, Thiele I: A protocol for generating a high-quality genome-scale metabolic reconstruction. Nature Protoc 2010, 5:91–121. doi:10.1038/nprot.2009.203 * [2] Orth JD, Conrad TM, Na J, Lerman JA, Nam H, Feist AM, Palsson BØ: A comprehensive genome-scale reconstruction of Escherichia coli metabolism – 2011. Mol Syst Biol 2011, 7:535. doi:10.1038/msb.2011.65 * [3] Herrgård MJ, Swainston N, Dobson P, Dunn WB, Arga KY, Arvas M, Blüthgen N, Borger S, Costenoble R, Heinemann M, Hucka M, Le Novére N, Li P, Liebermeister W, Mo M, Oliveira AP, Petranovic D, Pettifer S, Simeonidis E, Smallbone K, Spasić I, Weichart D, Brent R, Broomhead DS, Westerhoff HV, Kırdar B, Penttilä M, Klipp E, Palsson BØ, Sauer U, Oliver SG, Mendes P, Nielsen J, Kell DB: A consensus yeast metabolic network obtained from a community approach to systems biology. Nature Biotechnol 2008, 26:1155–1160. doi:10.1038/nbt1492 * [4] Hucka M, Finney A, Sauro H, Bolouri H, Doyle J, Kitano H, Arkin A, Bornstein B, Bray D, Cornish-Bowden A, Cuellar A, Dronov S, Gilles E, Ginkel M, Gor V, Goryanin I, Hedley W, Hodgman T, Hofmeyr J,Hunter P, Juty N, Kasberger J, Kremling A, Kummer U, Le Novère N, Loew L, Lucio D, Mendes P, Minch E, Mjolsness E, Nakayama Y, Nelson M, Nielsen P, Sakurada T, Schaff J, Shapiro B, Shimizu T, Spence H, Stelling J, Takahashi K, Tomita M, Wagner J, Wang J: The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models. Bioinformatics 2003, 19:524–531. doi:10.1093/bioinformatics/btg015 * [5] Wang XS, Gorlitsky R, Almeida JS: From XML to RDF: how semantic web technologies will change the design of ‘omic’ standards. Nature Biotechnol 2005, 23:1099–1103. doi:10.1038/nbt1139 * [6] Kell DB, Mendes P: The markup is the model: reasoning about systems biology models in the Semantic Web era. J Theor Biol 2008, 252:538–543. doi:10.1016/j.jtbi.2007.10.023 * [7] Le Novére N, Finney A, Hucka M, Bhalla US, Campagne F, Collado-Vides J, Crampin EJ, Halstead M, Klipp E, Mendes P, Nielsen P, Sauro H, Shapiro B, Snoep JL, Spence HD, Wanner BL: Minimum information requested in the annotation of biochemical models (MIRIAM). Nature Biotechnol 2005, 23:1509–1515. doi:10.1038/nbt1156 * [8] Laibe C, Le Novére N: MIRIAM resources: tools to generate and resolve robust cross-references in Systems Biology. BMC Syst Biol 2008, 252:538–543. doi:10.1186/1752-0509-1-58 * [9] Courtot M., Juty N., Knüpfer C., Waltemath D., Zhukova A., Dr ger A., Dumontier M., Finney A., Golebiewski M., Hastings J., Hoops S., Keating S., Kell D.B., Kerrien S., Lawson J., Lister A., Lu J., Machne R., Mendes P., Pocock M., Rodriguez N., Villeger A., Wilkinson D.J., Wimalaratne S., Laibe C., Hucka M., Le Novére N.: Controlled vocabularies and semantics in systems biology.. Mol Syst Biol 2011, 7:-543. doi:10.1038/msb.2011.77 * [10] Price ND, Reed JL, Palsson BØ: Genome-scale models of microbial cells: evaluating the consequences of constraints. Nat Rev Microbiol 2004, 2:886–897. doi:10.1038/nrmicro1023 * [11] Feist AM, Herrgård MJ, Thiele I, Reed JL, Palsson BØ: Reconstruction of biochemical networks in microorganisms. Nat Rev Microbiol 2008, 7:129–143. doi:10.1038/nrmicro1949 * [12] Heavner BD, Smallbone K, Barker B, Mendes P, Walker LP: Yeast 5 – an expanded reconstruction of the Saccharomyces cerevisiae metabolic network. BMC Syst Biol 2012, 6:55. doi:10.1186/1752-0509-6-55 * [13] Olivier BG, Bergmann FT: Flux Balance Constraints, Version 1 Release 1. Available from COMBINE. 2013\. * [14] Schellenberger J, Que R, Fleming RM, Thiele I, Orth JD, Feist AM, Zielinski DC, Bordbar A, Lewis NE, Rahmanian S, Kang J, Hyduke DR, Palsson BØ: Quantitative prediction of cellular metabolism with constraint-based models: the COBRA Toolbox v2.0. Nat Protoc 2011, 6:1290–1307. doi:10.1038/nprot.2011.308.4 * [15] Kuepfer L, Sauer U, Blank LM: Metabolic functions of duplicate genes in Saccharomyces cerevisiae. Genome Res 2005, 15:1421–1430. doi:10.1101/gr.3992505 * [16] Mo ML, Palsson BØ, Herrgård MJ: Connecting extracellular metabolomic measurements to intracellular flux states in yeast. BMC Syst Biol 2009, 3:37. doi:10.1186/1752-0509-3-37 * [17] Dobson PD, Jameson D, Simeonidis E, Lanthaler K, Pir P, Lu C, Swainston N, Dunn WB, Fisher P, Hull D, Brown M, Oshota O, Stanford NJ, Kell DB, King RD, Oliver SG, Stevens RD, Mendes P: Further developments towards a genome-scale metabolic model of yeast. BMC Syst Biol 2010, 4:145. doi:10.1186/1752-0509-4-145
arxiv-papers
2013-04-09T09:07:13
2024-09-04T02:49:44.082145
{ "license": "Public Domain", "authors": "Kieran Smallbone", "submitter": "Kieran Smallbone", "url": "https://arxiv.org/abs/1304.2960" }
1304.3010
# Characterizing the Life Cycle of Online News Stories Using Social Media Reactions Carlos Castillo Mohammed El-Haddad Jürgen Pfeffer Matt Stempeck Qatar Computing Research Institute Doha, Qatar [email protected] Al Jazeera Doha, Qatar mohammed.haddad @aljazeera.net Carnegie Mellon University Pittsburgh, USA [email protected] MIT Center for Civic Media Cambridge, USA [email protected] ###### Abstract This paper presents a study of the life cycle of news articles posted online. We describe the interplay between website visitation patterns and social media reactions to news content. We show that we can use this hybrid observation method to characterize distinct classes of articles. We also find that social media reactions can help predict future visitation patterns early and accurately. We validate our methods using qualitative analysis as well as quantitative analysis on data from a large international news network, for a set of articles generating more than 3,000,000 visits and 200,000 social media reactions. We show that it is possible to model accurately the overall traffic articles will ultimately receive by observing the first ten to twenty minutes of social media reactions. Achieving the same prediction accuracy with visits alone would require to wait for three hours of data. We also describe significant improvements on the accuracy of the early prediction of shelf-life for news stories. ###### category: H.4.m Information Systems Applications Miscellaneous ###### keywords: Web analytics; predictive web analytics; online news ; ## 1 Introduction Traditional newspapers have been in decline in recent years in terms of readership and revenue; in comparison, digital online news have been steadily increasing according to both metrics.111http://stateofthemedia.org/2012/overview-4/key-findings/ Recent surveys have shown that about half of the population of the US gets their news online, and about one third goes online every day for news.222http://www.people-press.org/2012/09/27/section-2-online-and-digital- news-2/ The study of patterns of consumption of online news has attracted considerable attention from the research community for over a decade. This research started with the analysis of access patterns to websites, and has expanded to include topics such as new engagement metrics, personalized news recommendations and summaries, etc. (see Section 2 for an overview). One line of research looks at consumption and interaction patterns as a single time series and attempts several prediction tasks on it. For example, predicting total comments from early comments [18, 28], total visits from early visits [16], etc. More recent works incorporate attributes from each specific article (e.g. topic, source, etc.) into the prediction [4]. We adopt a novel approach, in which we integrate different types of interactions of users with an online news article including visits, social media reactions, and search/referrals. We evaluate our methods on data from Al Jazeera English, a large international news network, deeply characterizing different classes of articles, and predicting their total number of page views and their effective shelf-life (the effective shelf-life of an article is the time span during which it receives most of its visits). The characterization and prediction of user behavior around news articles is valuable for a news organization, as it allows them (i) to gain a better understanding of how people consume different types of news online; (ii) to deliver more relevant and engaging content in a proactive manner; and (iii) to improve the allocation of resources to developing stories over their life cycle. Our contributions. In this paper we present a qualitative and quantitative analysis of the life cycle of online news stories. Our main contributions are the following: * • We find that social media reactions can contribute substantially to the understanding of visitation patterns in online news. * • We characterize two fundamental classes of news stories: breaking news and in- depth articles, and describe the differences in users’ behavior around them. * • We describe classes of short-term audience response profiles to news articles in terms of visits and social media reactions (decreasing, steady, increasing, and rebounding). * • We improve significantly the accuracy and timeliness of predictive models of total visits and shelf-life of articles, by incorporating social media reactions. The remainder of this paper is organized as follows. Section 2 provides an overview of previous works related to ours. Section 3 introduces our data collection and defines the concepts and variables we use. The main results of our paper are presented as descriptive and predictive analysis in the two following sections: Section 4 describes user behavior with respect to different classes of articles, and Section 5 demonstrates the importance of incorporating social media information into the predictive modeling of visits. The last section concludes the paper. ## 2 Related work One of the earliest published studies of user behavior in online news was conducted by Aikat aikat_1998_news, who studied the web sites of two large newspapers from November 1995 to May 1997. This work describes many of the patterns still seen in news sites today: visits occur mostly during weekdays and working hours; readers “skim” pages for information so dwell times tend to be short, and there are clear traffic “bursts” that can be attributed to specific news developments. With the advent in recent years of what can be considered as new forms of journalism (blogs) and new propagation mechanisms for news (micro-blogs and online social networking sites), the volume of research publications in this area has increased considerably. In this section we overview a few previous works closely related to ours, but our coverage is by no means complete. Behavioral-driven article classification. Previous works including [8, 19] that have studied online activities around online resources (e.g. visiting, voting, sharing, etc.), have consistently identified broad classes of temporal patterns. These classes can be generally characterized, first, by the presence or absence of a clear “peak” of activity; and second, by the amount of activity before and after the peak. Crane and Sornette crane_2008_response describe classes of visitation patterns to online videos, and present models that are consistent with propagation phenomena in social networks. Lehmann et al. lehmann_2012_dynamical extend these classes by observing that for Twitter “hashtags” (user-defined topics) the distributions of activity in different periods (before/during/after) induce distinct clusters of activity that can be interpreted considering the semantics of each hashtag. Romero et al. romero_2011_differences describe how manually-assigned classes of hashtags are related to different shapes of the exposure curve: the probability that a user will propagate some information (“retweet” in the case of Twitter) after being exposed to the information by a certain number of her neighbors. Yang and Leskovec yang_2011_patterns describe six classes of temporal shapes of attention. Attention is measured in terms of the number of appearances of a given phrase (of a variation of it) corresponding to an event. The patterns describe the distribution of attention over time, as well as the ordering in which different types of media (professional blogs, news agencies, etc.) “break” the story. In general, previous works have established that the evolution of the popularity of different on-line items depends on their class. Figueiredo et al. figueiredo_2011_tube describe how YouTube videos that are posted to a “top” page on the website, and videos that are making use of professionally produced content, are different from randomly-chosen videos in terms of their visit patterns. Recently, researchers at URL shortening service Bit.ly [6] described how an article’s half-life (see definition in Section 3) is affected by topics, extending a previous observation than in general there are some topics that are more time-sensitive than others [12]. For instance, business-related articles have on average a longer half-life, while articles related to politics/celebrities/entertainment have an intermediate one. Sports-related articles have in comparison a shorter half-life. Previously, Bit.ly researchers [5] have shown that this half-life is also affected by the social media platform where the link is first posted (e.g. links on Facebook were longer-lived than links on Twitter). Table 1: Selected references on predictive modeling of user behavior, sorted by publication year. Reference | Collection | Input / Output ---|---|--- Tatar et al. tatar_2001_predicting | 20 Minutes | input: publication hour, number of comments after a short time, section; output: total number of comments Brody, Harnad, and Carr brody_2006_citations | arXiv pre-prints | input: short-term article downloads; output: long-term article citations Lee, Moon, and Salamatian lee_2010_popularity | DPReviews / Myspace | input: time to first-comment, inter comment arrival stats; output: time to last comment Lerman and Hogg lerman_2010_news | Digg | input: visits; output: parameters of models that consider examination and promotion patterns Kim, Kim, and Cho kim_2011_temperature | Blogs | input: clicks on first 30 minutes; output: clicks until end of lifetime Yu, Chen, and Kwok yu_2011_predicting | Facebook pages | input: content and media type; output: number of FB likes/shares of each post Lakkaraju and Ajmera lakkaraju_2011_attention | Facebook pages | input: text- and other characteristics of the posting and the page; output: number of FB likes/shares of each post Szabo and Huberman szabo2012predicting | YouTube and Digg | input: views (Y), votes (D) in first 10d (Y), 2h (D); output: total number of views/votes Bandari, Asur, and Huberman bandari2012pulse | News aggregator | input: text analysis incl. topics, named entities, subjectivity, etc., source popularity; output: tweet count Ruan et al. ruan_2012_prediction | Tweets | input: topics, past tweets, content features, user features, etc.; output: tweet count for a given topic Pinto, Almeida, and Gonçalves pinto_2013_predicting | YouTube | input: time series of views in first 7 days; output: number of views after 30 days Ahmed et al. ahmed_2013_predicting | YouTube, Digg, Vimeo | input: views (Y, V) and votes (D) over time; output: predict future popularity We deepen and complement previous works on behavioral-driven characterization of online content, by describing the life-cycle of online news articles considering their visitation patterns as well as their social media reactions. Prediction of users’ activity. The prediction of the volume of user activities with respect to on-line content items has attracted a considerable amount of research. This is attested by a number of papers, some of which are outlined in Table 1. Another active topic that is closely related, but different, is that of predicting real-world variables such as sales or profits using social media signals (e.g. [13] and many others). Over the years, the models used to predict user behavior in social media have increased in complexity. For instance, Bandari et al. bandari2012pulse and Ruan et al. ruan_2012_prediction incorporate into their models features extracted from the content of the articles, such as topics. Yin et al. yin_2012_straw study voting behavior over on-line contents and describe a model that considers that users are divided into two populations: a group that follows the majority opinion, and a group that does not. Myers et al. myers_2012_external study models that describe user activity in terms of information propagations, including the presence of external influences, e.g. traditional media sources that can reach vast audiences, such as television networks. Huang et al. huang_2012_predicting consider an online model of social activities that evolves over time as more information becomes available. In contrast with previous works, we focus on the dynamic relation between social media reactions and visits over time, and show that both are useful to understand the differences among classes of articles and to predict future visit patterns. Analysis of news visits and social media responses. Dezso et al. dezso_2006_dynamics analyze the visits to a large news portal in Hungary. One aspect they study which is closely related to our work is the half-life of articles, which is shown to be distributed according to a power-law across a broad range, with a mean of 36 hours. Agarwal et al. agarwal_2012_multi study the actions users perform after reading an article, which include printing, commenting, rating, and sharing through e-mail or social media. Their focus is on performing personalized recommendations, but they also uncover that article topics have an effect on the probability of each action, with a division between articles users read privately and articles they share publicly: “Users tend to share articles that earn them social prestige and credit but they do not mind clicking and reading some salacious news occasionally in private.” Social media reactions to traditional news media can vary not only in volume but also qualitatively. Hu et al. hu_2011_event record tweets during the broadcast of a speech of the US President. They observe that many tweets refer to the speech in general, except for certain topics which are discussed in more detail. Finally, social media optimization company SocialFlow describes in a whitepaper [22] a comparative study of social media responses to several large media outlets: Al Jazeera, BBC News, CNN, The Economist, Fox News and The New York Times. Among other findings, they note that the probability that a user clicks on a tweet is higher for The Economist ($\approx 19\%$) than for Fox News ($\approx 16\%$), Al Jazeera ($\approx 11\%$) or The New York Times ($\approx 4\%$). However, followers of Al Jazeera are almost twice as likely to retweet article links than followers of the other channels. In contrast with previous works, we consider jointly traffic to the website and social media reactions, as both constitute acts in which users engage with the news content. Additionally, we quantify the richness of Twitter messages over time measuring entropy and counting unique tweets, and show that these variables are key to more accurate predictions of future visits. ## 3 Context and dataset In this section we provide some context to our research and describe the dataset that will be used on the remainder of the paper. ### 3.1 Traditional news and social media Our dataset is provided by Al Jazeera English,333http://www.aljazeera.com/ a well-established news organization that reaches hundreds of millions of viewers through its TV channel. Their website is divided into five major sections: News, In-Depth, Programmes, Sports, and Weather – plus a collection of blogs, which is outside the scope of this study. Approximately 40 editors/producers work on the areas of News, In-Depth, and Programmes. The editors of Al Jazeera English maintain Facebook and Twitter444Currently Facebook and Twitter are the two most frequent sources of social media referrals to Al Jazeera. Reddit appears in a third place but only through few articles having extremely high visibility. accounts (we call them “corporate accounts” in the rest of the paper) and use them actively to announce their content. This seems to be a standard practice adopted by all major media organizations in recent years. Each account (facebook.com/aljazeera and @AJEnglish) has over 1.5 million followers as of May 2013. Using these accounts, articles in the News section are shared immediately after being posted online. Articles on the In-Depth and Programmes sections are shared throughout the day with the goal of maximizing audience reach across multiple time zones. The corporate social media accounts re-share articles at different times of the day, sometimes up to 4 times, on a schedule determined by editors’ judgment and designed to increase user engagement. Close attention is paid to the wording of the items posted in social media, including aspects such as their length and the use of hashtags in the case of Twitter. Editors use a variety of online tools to obtain low-latency analytics of traffic and social media, and to decide which hashtags and keywords to use in their postings. More than half of the visitors to the Al Jazeera English website are from the USA, the United Kingdom, or Canada. According to an online survey taken by Al Jazeera English in 2011 ($n=4,500$), 18% of respondents said they used Twitter, 42% Facebook, and 12% both. Social media interactions and traffic to the website can complement or substitute each other. Most frequently, they complement each other: people click on the shared content and visit the website. Sometimes, the social media share can be a substitute for a visit to the article, such as when a video can be viewed directly on the social media site, or when the social media content itself delivers enough information to satisfy users without requiring them to click through to the full article. For instance, the news “Pakistan’s Malala now able to stand in UK” (19 Oct 2012) generated an unusually large number of shares on Facebook, but comparatively little traffic on the website. At the time, the student-activist was being treated from nearly-fatal wounds received ten days before, and it is likely that users who were following the story just wanted to express their relief or satisfaction at her recovery. In summary, for Al Jazeera and for most large news organizations, social media is important both because it attracts more visitors to their website than any other external referrer, as well as because it provides more platforms in which to have an audience. Hence, many news organizations adopt an active role in social media in order to increase this positive effect. Figure 1: Overall visits to articles. Our study considers all articles posted from Oct. 8th to Oct 29th, 2012 (the graph extends until Nov. 6th). ### 3.2 Data collection We focus on a period of three weeks between October 8th, 2012, and October 29th, 2012. The choice of this period is not random: it was a relatively stable period of traffic, only exhibiting a relatively minor peak on October 29th due to Hurricane Sandy. Figure 1 depicts the frequency of visits to all the articles in our dataset during the observation period. The data collection is done via a “beacon” embedded in all article pages; this produces events that are processed using Apache S4,555http://incubator.apache.org/s4/ a high-performance system for online processing, which is used to collect and aggregate the visits with a 1-minute granularity. For efficiency reasons, only articles obtaining at least 5 visits in a 10-hour window are monitored. The collected data is stored using a Cassandra666http://cassandra.apache.org/ NoSQL database. Our system also collects messages from Facebook (using the Facebook Query Language API) and Twitter (using their Search API). Both platforms have strict limitations on polling frequencies, which impose a trade-off between the number of articles we can monitor and the frequency with which we monitor them. To obtain more accurate results for popular articles, and after experimenting with different settings, we decided to poll social media reactions for articles that are within the list of the 30 most visited articles during each five-minute data collection window. We remark that this list varies considerably over time. We selected a uniform random sample of articles whose first visit was recorded during the observation period, and kept only those accumulating at least 100 visits during their first week after publication. A total of 606 articles was included; this covers over 3.6 million visits and at least 235,000 social media reactions. Table 2 presents some summary statistics on this dataset. Table 2: Summary statistics of our dataset. | Total | Article avg. ---|---|--- Number of articles | 606 | - Visits after 1 hour | 260 K | 430 Visits after 1 day | 2.5 M | 4,273 Visits after 7 days | 3.6 M | 5,971 Facebook shares | 155 K | 256 Tweets | 80 K | 133 Tweet entropy | | 5.6 bits Fraction of unique tweets | | 19.9 % Fraction of corporate retweets | | 36.8 % ### 3.3 Metrics For each article we collected a number of metrics regarding user visits and social media reactions. First, we observed at a granularity of one minute the number of visits (page views) to each article, and the URL of the previous page seen by the users before reaching an article (referral). We bucketed the latter into four classes: * • internal links, mostly from the home page of the website: these are the majority of the traffic sources and comprise 70% of the visits; * • external links from other sources including social media sites, news aggregators, and others: 14%; * • direct links, which have an empty referral and correspond mostly777http://www.theatlantic.com/technology/archive/2012/10/dark-social-we- have-the-whole-history-of-the-web-wrong/263523/ to people sharing news through instant messaging, e-mail, or other non-web application: 11%; and * • search referrals, basically links from organic search results: 5%. We remark that this distribution of referrals corresponds to the articles in our sample, which do not include the homepage of the website, section index pages, or older articles. If we take those into account, the numbers are different, e.g. the search referrals account for 30% of the visits. We also collected periodically the number of times an article has been shared on Facebook, and the content of any Twitter message containing the URL of the article, or a variant of the URL produced by a URL shortening service. We used this data to compute the following variables: * • Number of Facebook shares per minute (interpolated). * • Number of tweets per minute. * • Number of unique tweets per minute. A tweet is deemed unique if its edit distance with all previous tweets pointing to the same article (after discarding shortened URLs and “retweet” prefixes) is more than 10 characters. * • Tweet vocabulary entropy. To compute this, at any given point in time we create a document by concatenating all the tweets received up to that time. Then, we compute the entropy of the distribution of terms in that document. * • Number of corporate retweets per minute. A tweet is a “corporate retweet” if it includes “RT @AJEnglish” or “RT @AJELive” in its text. A tweet can be both corporate retweet and unique, as users are free to edit the retweet before posting it. * • Number of followers, friends (followees) and statuses of each of the users posting a tweet. Table 3: Top 10 most frequent words (stemmed and lowercased) in article titles in the “News” and “In-Depth” sections. Words that appear in both lists are italicized. Top words (News, $n=322$) | Top words (In-Depth, $n=139$) ---|--- Word | News | In-Depth | Word | News | In-Depth us | 34 | 17 | us | 34 | 17 kill | 21 | 1 | pictur | 0 | 10 attack | 19 | 0 | obama | 6 | 6 syria | 15 | 4 | interact | 0 | 6 dead | 15 | 1 | america | 0 | 6 protest | 13 | 0 | muslim | 0 | 5 rebel | 12 | 2 | syrian | 11 | 4 vote | 11 | 3 | syria | 15 | 4 syrian | 11 | 4 | presid | 4 | 4 pakistan | 10 | 2 | polici | 2 | 4 ## 4 Behavioral-Driven Classes In this section we describe classes of articles according to patterns of user behavior. ### 4.1 News vs In-Depth We observe that articles in the two larger sections of the Al Jazeera English website trigger distinct user behavior patterns: visits and social media reactions on articles in the News section (322 articles in our sample) are different from the ones on articles in the In-Depth section (139 articles). Titles. Table 3 includes the most frequent words in titles of articles in these two sections, after converting to lowercase and applying Porter’s stemmer.888http://snowball.tartarus.org/algorithms/porter/stemmer.html While in our sample the US and Syria appear prominently in both sections, articles in the News section include several violent acts, while articles in the In- Depth section are dominated by photos and political analysis. A chi-squared test comparing the entire distributions shows $p<10^{-13}$, rejecting the hypothesis that they are equal. Figure 2: Visits per minute (left y-axis) as well as Tweets and Facebook shares per minute (right y-axis) for the first 12 hours. For visits, the shaded area covers 50% of the data (quantiles 0.25 to 0.75). Top: average for a News item. Bottom: average for an In-Depth item. Visits. Figure 2 (top) depicts the average time series of some variables for articles in the News section. Time is expressed in hours-equivalent, which are hours corrected by the seasonality (day-night, weekday-weekend) of traffic on the website, as in [27]. Initially there are a number of visits and activity on Twitter and Facebook, that decays rapidly after a short time. This is often the pattern in news media as observed e.g. by [9, 21] and others. After a few hours, a large amount of visits can be explained by “internal traffic”, i.e. visitors arriving from the homepage of the site. For most articles, once the news article is displaced from the homepage by more recent items, its traffic slows down considerably. The profile of visits to In-Depth articles can be more complex. Figure 2 (bottom) depicts the average series for these articles. We can observe that a sustained level of visits is observed during several hours, as the contents of these articles are not as time-sensitive as those of the News section. We remark that in both cases (News and In-Depth) there is considerable variability from one article to another. Figure 3: Visits in the first hour versus visits on the first week for articles in the two largest categories. A simple function that assumes that visits after seven days are a multiple of visits after one hour has been included, by performing a least-squares fit in the central portion of each distribution. Figure 4: Differences in the distribution of Facebook vs Twitter shares. On average the ratio of Facebook shares to tweets is 1.9:1 (1.6:1 for News, 2.7:1 for In-Depth). The result of a least-squares fit in the central portion of each distribution is included. Figure 5: Differences in the distribution of the fraction of unique tweets. In both cases, Twitter activity is dominated by re-tweets or repetitions of the same tweets, but In-Depth articles attract more unique tweets. Figure 6: Differences in the distribution of fraction of corporate retweets. In-Depth articles have a larger share of re-tweets from the @AJEnglish and @AJELive accounts. News items compared to In-Depth items have a more intense first hour, as can be seen in Figure 3. For News, visits in one hour are roughly $1/12$th of the visits in the first week, while for In-Depth they are on average around $1/29$th. The two groups are similar to “promoted” (homepage) and “not- promoted” stories in Digg as observed in [27]. This difference in behavior can to some extent be explained by the design of the website. News articles are displayed more prominently on the home page, with the most salient location being typically used by a news item; however, In-Depth articles are also visible across the website, including a prominent slot on the top right corner of every page. Additionally to the differences in social media sharing that we discuss next, we observe that long-lived News articles (in terms of effective shelf-life as defined in Section 5.2) tend to include analysis that would actually make them fit for the In-Depth section. Indeed, the top-3 longer lived News articles in our observation period are “Profile: Malala Yousafzai” (Oct 10th, 2012), “Syrian rebels in uneasy alliances” (Oct 25th, 2012), and “Malala is the daughter of Pakistan” (Oct 13th, 2012); their contents, while motivated by specific news events such as the Syrian conflict and the shooting of a school girl, do not describe the events but rather the context in which they are taking place. Social media. On average the ratio of Facebook shares to tweets per article is 1.9:1, which is to some extent consistent with the survey described in Section 3.1 that indicated that there were twice as many website visitors using Facebook as there were Twitter users. Additionally, In-Depth articles are shared more on Facebook given the same level of activity on Twitter, as shown in Figure 4. On average News articles have 1.6 Facebook shares per tweet, while In-Depth articles have 2.7. As shown in Figure 5 there is also a difference in the number of unique tweets. On average, 17% of the tweets about News articles are unique, versus 25% of the tweets about In-Depth articles. This means that a majority of users do not change the content of the tweets when clicking on the “tweet” button next to the articles, or when retweeting from another Twitter user. There is also a difference in the number of corporate retweets, as shown in Figure 6. On average, 27% of tweets about News articles are corporate retweets, compared to 44% of tweets about In-Depth articles. This means that for In-Depth articles a larger share of Twitter activity can be attributed to users who are followers of @AJEnglish or @AJELive, and thus are probably more engaged with these Twitter accounts. Anecdotally, we know that editors spend more time crafting tweets to promote In-Depth articles than News articles, given that the former are not as time sensitive as the latter. In the case of News, the headline is often posted without modifications to Twitter, which may produce a comparatively less appealing tweet. ### 4.2 Analysis of news articles We observe that News articles have attention profiles that are quite predictable, while In-Depth and other article categories show significantly more variability. We focus on the first 12 hours-equivalent after publication of each article in the News section, and observe the time series of data from all sources including internal links, external links, search engines, and social media (similarly to the time series shown in Figure 2, but for each individual article instead of as an average). We then classify articles into several classes based on visit patterns that are apparent from these observations, starting with the largest class (“decreasing”) and following with the other classes. The classification is done by the authors seeking consensus and discussing borderline cases. At a high level, the classes of articles in our News sample can be roughly described by an “80:10:10 rule”. The traffic to $\sim$80% of the articles decreases monotonically during the first 12 hours, the traffic to $\sim$10% does not decrease, and the traffic to the remaining $\sim$10% decreases first, but then rebounds. Articles on each are listed in Appendix A. Next we provide a brief description of each class and examples of stories appearing in each of them. We remark that in this work we do not attempt to provide a comprehensive content-based typology for news articles within each attention profile. Decreasing (78%). The largest article class represents about 78% of the sample set. Articles in this class demonstrate an initial spike in visits following article publication, followed by a rather consistent drop in the number of visits, either immediately (244 articles), or after a short delay (7 articles). Delayed onset traffic decreases have been observed before, such as in [21] with respect to the shooting in Aurora, Colorado, in 2012. This attention pattern can often be attributed to breaking news that resonates with readers located in a time zone that is off-peak when the article is first posted, such as when that portion of the audience is mostly asleep. A story about Hurricane Sandy’s movement up the East Coast of the United States, for example, sees an initially sharp visit growth that begins to decline as the East Coast retires for the evening. The predominance of this class of article indicates that while news itself occurs, and can even be covered, at a constant rate, in most cases readers will only be interested on a news article for a brief period of time after its publication. Steady or Increasing (12%) Roughly 9% of the sample’s articles retain relatively constant visitor rates during their first 12 hours. Compared to news categories with very short shelf-lives, such as sports news, these articles are remarkably consistent. In this subset of news articles, dramatic news and emotional stories appear to garner Facebook shares and, often as a result, extended shelf-lives. In the U.S., multiple articles on Obama and Romney’s sharp-tongued presidential debate drive consistent Facebook and Twitter responses for a relatively long period of time following the articles’ publication. A poll on racism in the US has similar staying power and Facebook sharing. In Central Asia, the Taliban attack on Pakistani schoolgirl Malala appears in a number of these articles, where consistent Facebook sharing buoys the article traffic beyond average shelf-life. In Europe, furor over a seismology scandal is posted to Facebook, while in the Middle East, atrocities in the war in Syria and violence between Israel and Hamas also generate hours of steady traffic. Africa sees a new prime minister in Libya, the police shooting of 34 striking miners in South Africa, and a bomb attack on a church in Nigeria, all of which see sustained traffic thanks in part to significant Facebook and Twitter sharing many hours after their initial publication. Stories in this group were mostly developing stories and many of them had regular updates. One such example is the story about Malala for which Al Jazeera sent a correspondent to the Swat Valley. Being a complex region to cover, a series of news articles and feature stories were written. In addition, Al Jazeera reached out to the Reddit community for a Q&A session which topped the “Ask me anything (AmA)” section999http://www.reddit.com/r/IAmA/comments/11p6q3/i_am_asad_hashim_journalist_for_the_al_jazeera/. section. A relatively small number of articles (3% of our sample) buck the usual trend and see increased page traffic as time passes after their publication, rather than a decline. To the extent that these articles can be generalized, they resemble the class of articles detailed above. Some of these articles were also updated with supporting content. For at least half of them, web producers added video packages after publication, which may explain to some extent the increase in visits. Rebounding (10%). About 10% of the articles in our sample initially exhibit a decline in visits/minute, until a point where such decline is reversed. This “rebound” occurs either because of internal or external links. In the case of internal traffic, the traffic patterns behind these rebounding articles sometimes reflect the common newsroom practice of linking to previous coverage in more recent articles. This practice provides additional background context to readers just arriving at the story, but also helps news organizations extract additional value from articles that are otherwise statistically becoming valueless. Stories that required a significant investment of resources to produce are also promoted more heavily than regular articles. We can see that in these cases, these internal links do indeed deliver readers to articles whose shelf-lives have nearly expired, when measured by homepage and social media traffic. The articles that rebound as a result of external traffic are beneficiaries of attention directed from outside of the news organization (e.g. a social networking site, the website of another news network, etc.). Typically each observed burst in external web traffic can be tracked to a single source. Breaking stories can also gain visits as ongoing developments drive significant additional interest. This phenomenon is evidenced, for instance, by three rebounding articles tracking Hurricane Sandy’s descent upon the United States. In general, we see that when News articles cover topics that stray from “hard news”, the article’s attention profile reflects the increased variability seen in the In-Depth pieces. For example, some articles ostensibly cover specific actualities, but also bridge into long-standing issues: in the U.S., “Immigrant family in pursuit of the American Dream” and “Living the modern American Dream” stoke passions around immigration. The sometimes blurry line between reporting on immediate actualities and longer-term trends like immigration is an area of tension in journalism, one identified by Galtung and Ruge when they asked “how do ’events’ become ’news”’? [11]. ## 5 Improving Traffic Predictions Using Social Media Data An increased amount of social media reactions is often correlated with more traffic to online articles. This is particularly marked in the case of non- decreasing and rebounding News articles, as well as In-Depth articles whose visitation patterns are more varied and less predictable than regular (decreasing) News articles. In this section, we combine social media reactions with early visitation measures to provide improved predictions of (i) the volume of visits to an article after 7 days from its publication and (ii) the effective shelf-life of articles, i.e. the time during which they will receive most of their visits. We begin by fitting models to our sample data, and then explore the practicality of this approach for new data. ### 5.1 Modeling visiting volume Our first goal is to determine to what extent social media reactions can improve the prediction of the overall popularity (total number of visits) of an article. The dependent variable that we want to describe with our models is the total number of visits after 7 days ($v7d$). We use a straightforward approach to answer this question—linear regression models. We include the following variables (described in Section 3.3) as observed at the time at which the prediction is performed: number of visits ($v$), number of visits from link referrals ($vr$) and from “direct” traffic from e-mail/IM ($vd$), shares on Facebook ($f$), Twitter ($t$), mean number of followers of people sharing on Twitter (foll), entropy of tweets ($ent$), number and fraction of unique tweets ($uni$, $unip$) and fraction of corporate retweets ($cp$). We use a linear regression model that includes all first-order effects as well as second order interactions. We included second-order interactions because of the interdependency of the variables (e.g. an article with more visits is more likely to have more social media reactions): $lm(vis7d\sim v)$ $lm(vis7d\sim(v+vr+vd+f+t+\textrm{\em{foll}}+ent+uni+unip+cp)^{2})$. Figure 7: Proportion of explained variance ($r^{2}$) for the prediction of total volume of visits, for News and In-depth articles. Table 4: Modeling visiting volume after 7 days: Significance levels for regression models after 20 minutes. Variable | In-depth | News ---|---|--- Facebook shares | 0.0349 | * | 0.0204 | * Twitter tweets | 0.0026 | ** | $<$0.0001 | *** Twitter entropy | $<$0.0001 | *** | 0.0003 | *** Twitter avg. followers | $<$0.0001 | *** | | Volume of unique tweets | | | $<$0.0001 | *** Unique tweets % | | | $<$0.0001 | *** Corporate retweets % | 0.0092 | ** | | The distribution of visits to articles is log-normal distributed in our data, consistently with previous works [29, 4]. We log-transform ${log(x+1)}$ the visits as well as the volume of social media reactions. For t=5, 10, 15, …we calculate the proportion of the explained variance of these two linear models. The result is shown in Figure 7. It takes about 3 hours to be able to explain $>0.6$ of the variance for In- Depth articles, and the additional variables are profitable from the first minutes. After 10-20 minutes we observe the largest difference in our regression models (+0.5 in terms of $r^{2}$). We take a closer look at the model variables after 20 minutes to identify the sources of this improvement. For this purpose we stepwise fit the model variables by AIC (Akaike information criterion) as implemented in stats.step in R. Table 4 shows the reliability of the Social media variables to serve as good predictor for the volume of visits after 7 days. The fraction of traffic from different sources does not appear to be a reliable predictor when all variables are used for the model; when we reduce the model to exclusively these two variables, the traffic from e-mail/IM is a more reliable predictor than the traffic from external links. Social media variables, particularly the number of tweets and the entropy of the vocabulary used in them, seem to be reliable predictors for both In-Depth and News articles. The number of followers of people posting an article on Twitter together with the fraction of corporate retweets seem to be particularly important for In-Depth articles. A possible interpretation is that the response to these articles has a larger component driven by influential accounts and the actions of Al Jazeera editors. In contrast, the number and fraction of unique tweets can be used for the prediction of traffic to News articles. Consequently, a rich online discussion around a breaking within its first minutes is a signal of potentially high and sustained user interest. Figure 8: Distribution of effective shelf-life. Table 5: Modeling effective shelf-life: Significance levels for regression models after 20 minutes. Variable | In-depth | News ---|---|--- Visits $R^{2}$ | 0.0005 | | 0.0921 | Social media $R^{2}$ | 0.4457 | | 0.2193 | Social media $R^{2}$ adjusted | 0.2274 | | 0.1505 | Twitter tweets | 0.0138 | * | 0.0061 | ** Twitter entropy | 0.0027 | ** | 0.0024 | ** Twitter avg. followers | | | 0.0001 | *** Volume of unique tweets | 0.0026 | ** | | Unique tweets % | 0.0190 | * | 0.0445 | * Corporate retweets | 0.0001 | *** | | Traffic from e-mail/IM | 0.0482 | * | | ### 5.2 Modeling shelf-life We define the effective shelf-life $\tau_{\ell}$ of an article as the time passed between its first visit and the time at which it has received a fraction $\ell$ of the visits it will ever receive. In this work we set $\ell=0.90$, but similar values (e.g. $0.85$, or $0.95$) yield similar results to the ones presented here. When $\ell=0.50$ this is equivalent to half-life [5, 6]. Given that our observation period is finite, we use a seven-day observation period as a proxy for the total number of visits the articles will ever receive, as for basically all the articles in our sample, there is little activity after 3 or 4 days. This is consistent with the experience of Al Jazeera editors and with observations in previous works (e.g. [30]). We remark however that there are rare cases where an article is “re-born” after weeks, for instance when it provides background information for a new development. The distribution of the shelf-life for both classes is depicted in Figure 8. As observed in the qualitative analysis, the average shelf-life of In-Depth articles, 2 days and 9 hours, is longer than the one of News articles, 1 day and 16 hours. Their average half-lives are respectively 20 hours and 8 hours (both are shorter than the 36 hours observed by [9]). We observe that the effective shelf-life of all articles is independent from their total number of visits after 7 days (Pearson’s correlation $r=-0.03$). This will lead to low accuracy when predicting based solely on visits. For the predictive task the linear regression model setup is analogous to the one used to model visiting volume; this time the dependent variable is $\tau_{90}$. Our focus is again on the variables after 20 minutes. Running the first regression model (only visits) for this time period reveals differences for News and In- Depth stories (Table 5). For News stories, at least 9.2% of effective shelf- life variance can be described, while visits show no predictive information for In-Depth stories. Including social media variables changes this picture dramatically. Especially for In-Depth stories, a significant part of the variance can now be described. Stepwise fitting of the social media models shows that the number of Facebook shares and the traffic from external links are no reliable predictors for effective shelf-life. In contrast, all Tweet variables reach significant levels. For In-Depth articles corporate retweets and traffic from e-mail/IM also serve as reliable predictors. In a nutshell, using social media variables to model effective shelf-life of stories can increase the accuracy of early prediction significantly. This is a very promising result for future research given that we describe the effective shelf-life pattern with data from one single time point without the use of time series or other elaborate models. ### 5.3 Online predictions Figure 9: Screenshot of http://fast.qcri.org/ depicting predictions for four articles. Green bars indicate number of pageviews so far, gray bars indicate predictions. Exact numbers are business-sensitive so they are omitted. A live system implementing these ideas on data from the Al Jazeera English website is available online.101010http://fast.qcri.org/ This allows us to further test the effectiveness of our methods in an online setting, in addition to the off-line tests we have described so far. Figure 9 shows a screenshot of this application. The system collects data for all articles irrespective of their section, and produces predictions for all articles in the News section using one set of models, and for all the remaining articles (In-Depth, Videos, Programmes, etc.) using another set. In each model set there are models that are executed 1 hour, 6 hours, 12 hours and 24 hours after an article is published. The target variable in this live system is page-views after 3 days. Every 24 hours, it re-trains the models by adding the articles that have passed the 3-day deadline to the training set. After an initial warm up period of 3 weeks, we monitored all 350 article URLs published during a period of 1 week in July 2013 and kept all the predictions done by the system. First, we evaluated the coverage of our system, which as explained in Section 3.2 is designed to focus on the top 30 most visited URLs in every 5-minute period. In practice, we produce predictions within 6 hours for 194 (55%) of the articles seen. Taking as comparison Google Analytics, which is also used by this website,111111http://analytics.google.com/ we observe that this covers 65% of the page-views to Al Jazeera English articles. We remark that this partial coverage is not an intrinsic aspect of the system, but a limitation of using public (instead of paid) access to Twitter’s API. Second, we evaluated the quality of the predictions. In order to do so, we store the predictions done by the different models. Conceptually, each of the 350 articles is in the testing set, and the training set is composed of all the articles published in the period of 1 to 4 weeks before its publication day. Figure 10 compares the actual number of page-views with predictions done 1 hour and 6 hours after an article is published. The quality of the predictions after one hour is similar to off-line tests ($r^{2}=0.72$) even when we are mixing articles from other sections; 134 articles (38%) not in News or In-Depth – but we also remark the predictive horizon of the live system is shorter (3 days vs 7 days). Predictions after 6 hours have $r^{2}=0.85$. The location of the best trade-off between timeliness and accuracy in the range of 1 to 6 hours is an important problem, which requires understanding how editors react to the predictions and use them in practice. Figure 10: Predictions of visits after 3 days using the online system across all articles. Left: predictions 1 hour after publication. Right: predictions 6 hours after publication. ## 6 Conclusions Main findings. By adopting an integrated view of users’ behavior, we have observed that there are two classes of articles that generate qualitatively and quantitatively different responses from readers. News articles describing breaking news events tend to decay in attention shortly after they are published and thus have a shorter shelf-life. These articles also have more repetitive social media reactions, as most users simply repeat the news headlines without commenting on them. In-Depth items portraying or analyzing a topic tend to exhibit a longer shelf-life and a richer social media response, including more content-rich tweets in terms of vocabulary entropy and fraction of unique tweets, and more shares on Facebook for the same level of tweets. By going deeper into the first few hours after publication of News articles, we found three distinctive response patterns in a roughly 80:10:10 proportion: decreasing traffic, steady or increasing traffic, and rebounding traffic. We found that there can be multiple causes for non-decreasing traffic, including the addition of new content to articles, social media reactions, and other types of referrals. We have shown that social media signals can improve by a large margin the accuracy of predictions of future visits, as well as the accuracy of predictions of article shelf-life. In particular for In-Depth articles which exhibit more complex visit patterns over time, we have found that incorporating measures of the quantity and variety of social media reactions can lead to substantial gains in terms of prediction accuracy. Practical significance. From the perspective of a news provider, while no automatic system can replace editorial judgment, understanding and predicting the life cycle of stories has three main benefits: * • In the case of News stories, knowing how the audience is interacting with an article is not just “nice to have”, but increasingly a critical component in delivering timely and relevant content to an ever growing online audience. * • For In-Depth stories, which operate on a slower news cycle, knowing when to allocate additional time and resources can significantly improve the news planning process. This is particularly useful for an emerging class of news programmes that combine live online discussions with more traditional TV coverage. * • To a web producer, an article with a longer shelf-life means judicious time can be spent preparing backgrounder pieces which are valuable in providing context to a story. From a reach perspective, articles with steady or increasing levels of traffic translate into higher user engagement. Our work depends on having access to a large repository of social media reactions. As more people get into social media (e.g. Twitter), this line of work will become more relevant and will be able to produce even higher quality predictions. Limitations and future work. We combine findings from computer science, journalism, and media studies. The research presented here is more difficult to execute than the traditional single-discipline study, but we expect interdisciplinary work on this area to become increasingly common as our media and technology continue to converge. Our data gathering system collects only aggregate information and does not attempt to link actions across sessions or users across platforms; this prevents us from separating post-read from pre-read sharing, an important distinction explored in [1]. Another limitation of our work is that we used data from a single website, and we are in the process of gathering data from other sources in order to strengthen our claims. We also used a manual process for categorization of the article classes (decreasing/steady/increasing/rebounding), and we did not attempt a comprehensive content-based classification of articles inside each class. In this work, we used linear models and did not attempt anything more sophisticated. We do not claim that our models are the more accurate that can be built using this data, but used them to demonstrate in a clear way the importance of social media signals for the predictive tasks we undertake. Better models are definitively possible, and may yield even larger gains in accuracy when incorporating social media signals. We also used a data-driven approach in which shelf-life is derived from observations. Alternatively, shelf-life can be derived by fitting a visitation curve produced by a parametrized model [29]. This may lead to an improvement in the prediction accuracy. Reproducibility. The data sample used for this study, including feature vectors and the categorization of articles done during the qualitative analysis, is available for research purposes upon request. A live demo is available at http://fast.qcri.org/ Acknowledgments. The authors wish to thank Al Jazeera English for the data used for this study, Kiran Garimella from QCRI for his work in the live system, Janette Lehmann from Yahoo! Research for her valuable help and comments on an early version of this manuscript; Michael K. Martin and Ju-Sung Lee from Carnegie Mellon University for insightful discussions on regression models; and Edward Schiappa for his feedback on the methodology for the analysis of article classes. Key references: [7, 27] ## References * [1] Agarwal, D., Chen, B. C., and Wang, X. 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Toward predicting popularity of social marketing messages. In Social Computing, Behavioral-Cultural Modeling and Prediction, J. Salerno, S. J. Yang, D. Nau, and S. K. Chai, Eds., vol. 6589 of LNCS, Springer (2011), 317–324. ## Appendix A Example articles List of articles in the non-majority classes described in the qualitative assessment of Section 4.2. The data sample is available for research purposes upon request. Delayed decreasing: Hurricane Sandy moves up US Atlantic coast - Americas Skydiver lands safely after record jump - Americas Third-party candidates spar in US debate - Americas Arrests by French police foiled ’bomb plot’ - Europe Scotland’s independence referendum signed - Europe Rival protesters clash in Egypt’s capital - Middle East Syria opposition ’captures’ Assad soldiers - Middle East Steady: Bomb attack hits northern Nigerian church - Africa Libya assembly elects new prime minister - Africa Police admit ’overreacting’ at Marikana - Africa Marking the Cuban missile crisis - Americas Obama and Romney face off in final debate - Americas Obama and Romney meet in combative debate - Americas Poll finds fresh increase in US racism - Americas US exports to Iran soar despite sanctions - Americas Asad Hashim: Ask Me Anything on Malala - Central & South Asia Clerics declare Malala shooting ’un-Islamic’ - Central & South Asia India suspends Kingfisher licence - Central & South Asia Pakistani schoolgirl Malala arrives to UK - Central & South Asia Profile: Malala Yousafzai - Central & South Asia Teenage rights activist shot in Pakistan - Central & South Asia Italian seismologists could face jail term - Europe Karadzic to begin Srebrenica defence at Hague - Europe Russia says fighters killed in North Caucasus - Europe Scientists found guilty in Italy quake trial - Europe Bomb blast hits Damascus’ Old City - Middle East Fatah claims victory in West Bank poll - Middle East Fighting dims hopes for Syria Eid truce - Middle East Hariri calls on Lebanese to attend funeral - Middle East Israel strikes Gaza after Hamas retaliation - Middle East Marginalisation of disabled people in Egypt - Middle East Palestinians vote in municipal elections - Middle East Rights group says Syria used cluster bombs - Middle East Syrian children killed in Idlib air raids - Middle East US and EU urge political stability in Lebanon - Middle East Increasing: Colombia and FARC rebels launch negotiations - Americas Immigrant family in pursuit of American Dream - Americas Living the modern ’American Dream’ - Americas Man charged over attempted US bank bomb plot - Americas Minors flee Central American violence - Americas Anti-austerity protests erupt in Athens - Europe Lithuanians vote out austerity government - Europe Scientists await verdict in Italy quake trial - Europe Assault on Yemen base blamed on al-Qaeda - Middle East Qatari emir in historic Gaza visit - Middle East Rebounding: African and EU leaders to hold Mali summit - Africa Evidence of mass murder after Gaddafi’s death - Africa Nigerian soldiers kill dozens of civilians - Africa State-linked Libyan militias shell Bani Walid - Africa Tunisia clash leaves opposition official dead - Africa UN urges military action plan for Mali - Africa Wounded Mauritania president flown to Paris - Africa Argentine crew to vacate ship seized in Ghana - Americas Armstrong ’unaffected’ by doping report - Americas Biden and Ryan set for crucial VP debate - Americas Brazil forces set for raid on Rio slums - Americas Candidates spar in US vice president debate - Americas Cuba’s Castro appears in public - Americas First planet with four suns discovered - Americas Forecasters predict ’serious’ Hurricane Sandy - Americas Hurricane Sandy approaches eastern US - Americas Tsunami warning for Hawaii lifted - Americas US deficit tops $1 trillion for fourth year - Americas US East Coast prepares for Hurricane Sandy - Americas Dozens dead in Afghanistan Eid suicide blast - Central & South Asia Pakistan court probes bartering of girls - Central & South Asia Pakistan teen activist in critical condition - Central & South Asia Berlusconi vows to remain in political arena - Europe Boxer a big hit as Ukraine readies for vote - Europe EU leaders agree on banking supervisor - Europe Germany’s Merkel reassures Greece - Europe Merkel arrives in Greece amid tight security - Europe Russia demands Turkey explain intercepted jet - Europe Russian opposition aide arrested - Europe Baghdad area hit by more deadly Eid attacks - Middle East Eid truce awaits Syrian government response - Middle East Kuwait police fire tear gas at protesters - Middle East Syrian forces continue to shell Aleppo - Middle East
arxiv-papers
2013-04-10T16:04:42
2024-09-04T02:49:44.089700
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Carlos Castillo, Mohammed El-Haddad, J\\\"urgen Pfeffer and Matt\n Stempeck", "submitter": "Carlos Castillo", "url": "https://arxiv.org/abs/1304.3010" }
1304.3035
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-048 LHCb-PAPER-2013-005 April 10, 2013 Measurement of the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ branching fraction at low dilepton mass The LHCb collaboration†††Authors are listed on the following pages. The branching fraction of the rare decay $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ in the dilepton mass region from 30 to 1000 ${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ has been measured by the LHCb experiment, using $pp$ collision data, corresponding to an integrated luminosity of 1.0 $\mbox{\,fb}^{-1}$, at a centre-of-mass energy of 7 $\mathrm{\,Te\kern-1.00006ptV}$. The decay mode $B^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ is utilized as a normalization channel. The branching fraction ${{\cal B}(B^{0}\rightarrow K^{*0}e^{+}e^{-}})$ is measured to be ${\cal B}(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})^{30-1000{\mathrm{\,Me\kern-0.70004ptV\\!/}c^{2}}}=(3.1\,^{+0.9\mbox{ }+0.2}_{-0.8\mbox{ }-0.3}\pm 0.2)\times 10^{-7},$ where the first error is statistical, the second is systematic, and the third comes from the uncertainties on the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ and ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\\!\rightarrow e^{+}e^{-}$ branching fractions. Submitted to JHEP © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen56, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 34, M. Artuso57, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso58, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, M. Benayoun8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani44, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk57, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia57, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton57, N.H. Brook45, H. Brown51, I. Burducea28, A. Bursche39, G. Busetto21,q, J. Buytaert37, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez35,n, A. Camboni35, P. Campana18,37, D. Campora Perez37, A. Carbone14,c, G. Carboni23,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia49, L. Carson52, K. Carvalho Akiba2, G. Casse51, M. Cattaneo37, Ch. Cauet9, M. Charles54, Ph. Charpentier37, P. Chen3,38, N. Chiapolini39, M. Chrzaszcz 25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco40, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15,37, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, B. Couturier37, G.A. Cowan49, D.C. Craik47, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, P. David8, P.N.Y. David40, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian39, J.M. De Miranda1, L. De Paula2, W. De Silva56, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, D. Derkach14, O. Deschamps5, F. Dettori41, A. Di Canto11, H. Dijkstra37, M. Dogaru28, S. Donleavy51, F. Dordei11, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, R. Dzhelyadin34, A. Dziurda25, A. Dzyuba29, S. Easo48,37, U. Egede52, V. Egorychev30, S. Eidelman33, D. van Eijk40, S. Eisenhardt49, U. Eitschberger9, R. Ekelhof9, L. Eklund50,37, I. El Rifai5, Ch. Elsasser39, D. Elsby44, A. Falabella14,e, C. Färber11, G. Fardell49, C. Farinelli40, S. Farry12, V. Fave38, D. Ferguson49, V. Fernandez Albor36, F. Ferreira Rodrigues1, M. Ferro-Luzzi37, S. Filippov32, M. Fiore16, C. Fitzpatrick37, M. Fontana10, F. Fontanelli19,i, R. Forty37, O. Francisco2, M. Frank37, C. Frei37, M. Frosini17,f, S. Furcas20, E. Furfaro23,k, A. Gallas Torreira36, D. Galli14,c, M. Gandelman2, P. Gandini57, Y. Gao3, J. Garofoli57, P. Garosi53, J. Garra Tico46, L. Garrido35, C. Gaspar37, R. Gauld54, E. Gersabeck11, M. Gersabeck53, T. Gershon47,37, Ph. Ghez4, V. Gibson46, V.V. Gligorov37, C. Göbel58, D. Golubkov30, A. Golutvin52,30,37, A. Gomes2, H. Gordon54, M. Grabalosa Gándara5, R. Graciani Diaz35, L.A. Granado Cardoso37, E. Graugés35, G. Graziani17, A. Grecu28, E. Greening54, S. Gregson46, O. Grünberg59, B. Gui57, E. Gushchin32, Yu. Guz34,37, T. Gys37, C. Hadjivasiliou57, G. Haefeli38, C. Haen37, S.C. Haines46, S. Hall52, T. Hampson45, S. Hansmann-Menzemer11, N. Harnew54, S.T. Harnew45, J. Harrison53, T. Hartmann59, J. He37, V. Heijne40, K. Hennessy51, P. Henrard5, J.A. Hernando Morata36, E. van Herwijnen37, E. Hicks51, D. Hill54, M. Hoballah5, C. Hombach53, P. Hopchev4, W. Hulsbergen40, P. Hunt54, T. Huse51, N. Hussain54, D. Hutchcroft51, D. Hynds50, V. Iakovenko43, M. Idzik26, P. Ilten12, R. Jacobsson37, A. Jaeger11, E. Jans40, P. Jaton38, F. Jing3, M. John54, D. Johnson54, C.R. Jones46, B. Jost37, M. Kaballo9, S. Kandybei42, M. Karacson37, T.M. Karbach37, I.R. Kenyon44, U. Kerzel37, T. Ketel41, A. Keune38, B. Khanji20, O. Kochebina7, I. Komarov38, R.F. Koopman41, P. Koppenburg40, M. Korolev31, A. Kozlinskiy40, L. Kravchuk32, K. Kreplin11, M. Kreps47, G. Krocker11, P. Krokovny33, F. Kruse9, M. Kucharczyk20,25,j, V. Kudryavtsev33, T. Kvaratskheliya30,37, V.N. La Thi38, D. Lacarrere37, G. Lafferty53, A. Lai15, D. Lambert49, R.W. Lambert41, E. Lanciotti37, G. Lanfranchi18, C. Langenbruch37, T. Latham47, C. Lazzeroni44, R. Le Gac6, J. van Leerdam40, J.-P. Lees4, R. Lefèvre5, A. Leflat31, J. Lefrançois7, S. Leo22, O. Leroy6, T. Lesiak25, B. Leverington11, Y. Li3, L. Li Gioi5, M. Liles51, R. Lindner37, C. Linn11, B. Liu3, G. Liu37, S. Lohn37, I. Longstaff50, J.H. Lopes2, E. Lopez Asamar35, N. Lopez-March38, H. Lu3, D. Lucchesi21,q, J. Luisier38, H. Luo49, F. Machefert7, I.V. Machikhiliyan4,30, F. Maciuc28, O. Maev29,37, S. Malde54, G. Manca15,d, G. Mancinelli6, U. Marconi14, R. Märki38, J. Marks11, G. Martellotti24, A. Martens8, L. Martin54, A. Martín Sánchez7, M. Martinelli40, D. Martinez Santos41, D. Martins Tostes2, A. Massafferri1, R. Matev37, Z. Mathe37, C. Matteuzzi20, E. Maurice6, A. Mazurov16,32,37,e, J. McCarthy44, R. McNulty12, A. Mcnab53, B. Meadows56,54, F. Meier9, M. Meissner11, M. Merk40, D.A. Milanes8, M.-N. Minard4, J. Molina Rodriguez58, S. Monteil5, D. Moran53, P. Morawski25, M.J. Morello22,s, R. Mountain57, I. Mous40, F. Muheim49, K. Müller39, R. Muresan28, B. Muryn26, B. Muster38, P. Naik45, T. Nakada38, R. Nandakumar48, I. Nasteva1, M. Needham49, N. Neufeld37, A.D. Nguyen38, T.D. Nguyen38, C. Nguyen-Mau38,p, M. Nicol7, V. Niess5, R. Niet9, N. Nikitin31, T. Nikodem11, A. Nomerotski54, A. Novoselov34, A. Oblakowska-Mucha26, V. Obraztsov34, S. Oggero40, S. Ogilvy50, O. Okhrimenko43, R. Oldeman15,d, M. Orlandea28, J.M. Otalora Goicochea2, P. Owen52, A. Oyanguren 35,o, B.K. Pal57, A. Palano13,b, M. Palutan18, J. Panman37, A. Papanestis48, M. Pappagallo50, C. Parkes53, C.J. Parkinson52, G. Passaleva17, G.D. Patel51, M. Patel52, G.N. Patrick48, C. Patrignani19,i, C. Pavel-Nicorescu28, A. Pazos Alvarez36, A. Pellegrino40, G. Penso24,l, M. Pepe Altarelli37, S. Perazzini14,c, D.L. Perego20,j, E. Perez Trigo36, A. Pérez-Calero Yzquierdo35, P. Perret5, M. Perrin-Terrin6, G. Pessina20, K. Petridis52, A. Petrolini19,i, A. Phan57, E. Picatoste Olloqui35, B. Pietrzyk4, T. Pilař47, D. Pinci24, S. Playfer49, M. Plo Casasus36, F. Polci8, G. Polok25, A. Poluektov47,33, E. Polycarpo2, D. Popov10, B. Popovici28, C. Potterat35, A. Powell54, J. Prisciandaro38, C. Prouve7, V. Pugatch43, A. Puig Navarro38, G. Punzi22,r, W. Qian4, J.H. Rademacker45, B. Rakotomiaramanana38, M.S. Rangel2, I. Raniuk42, N. Rauschmayr37, G. Raven41, S. Redford54, M.M. Reid47, A.C. dos Reis1, S. Ricciardi48, A. Richards52, K. Rinnert51, V. Rives Molina35, D.A. Roa Romero5, P. Robbe7, E. Rodrigues53, P. Rodriguez Perez36, S. Roiser37, V. Romanovsky34, A. Romero Vidal36, J. Rouvinet38, T. Ruf37, F. Ruffini22, H. Ruiz35, P. Ruiz Valls35,o, G. Sabatino24,k, J.J. Saborido Silva36, N. Sagidova29, P. Sail50, B. Saitta15,d, C. Salzmann39, B. Sanmartin Sedes36, M. Sannino19,i, R. Santacesaria24, C. Santamarina Rios36, E. Santovetti23,k, M. Sapunov6, A. Sarti18,l, C. Satriano24,m, A. Satta23, M. Savrie16,e, D. Savrina30,31, P. Schaack52, M. Schiller41, H. Schindler37, M. Schlupp9, M. Schmelling10, B. Schmidt37, O. Schneider38, A. Schopper37, M.-H. Schune7, R. Schwemmer37, B. Sciascia18, A. Sciubba24, M. Seco36, A. Semennikov30, K. Senderowska26, I. Sepp52, N. Serra39, J. Serrano6, P. Seyfert11, M. Shapkin34, I. Shapoval16,42, P. Shatalov30, Y. Shcheglov29, T. Shears51,37, L. Shekhtman33, O. Shevchenko42, V. Shevchenko30, A. Shires52, R. Silva Coutinho47, T. Skwarnicki57, N.A. Smith51, E. Smith54,48, M. Smith53, M.D. Sokoloff56, F.J.P. Soler50, F. Soomro18, D. Souza45, B. Souza De Paula2, B. Spaan9, A. Sparkes49, P. Spradlin50, F. Stagni37, S. Stahl11, O. Steinkamp39, S. Stoica28, S. Stone57, B. Storaci39, M. Straticiuc28, U. Straumann39, V.K. Subbiah37, S. Swientek9, V. Syropoulos41, M. Szczekowski27, P. Szczypka38,37, T. Szumlak26, S. T’Jampens4, M. Teklishyn7, E. Teodorescu28, F. Teubert37, C. Thomas54, E. Thomas37, J. van Tilburg11, V. Tisserand4, M. Tobin38, S. Tolk41, D. Tonelli37, S. Topp-Joergensen54, N. Torr54, E. Tournefier4,52, S. Tourneur38, M.T. Tran38, M. Tresch39, A. Tsaregorodtsev6, P. Tsopelas40, N. Tuning40, M. Ubeda Garcia37, A. Ukleja27, D. Urner53, U. Uwer11, V. Vagnoni14, G. Valenti14, R. Vazquez Gomez35, P. Vazquez Regueiro36, S. Vecchi16, J.J. Velthuis45, M. Veltri17,g, G. Veneziano38, M. Vesterinen37, B. Viaud7, D. Vieira2, X. Vilasis-Cardona35,n, A. Vollhardt39, D. Volyanskyy10, D. Voong45, A. Vorobyev29, V. Vorobyev33, C. Voß59, H. Voss10, R. Waldi59, R. Wallace12, S. Wandernoth11, J. Wang57, D.R. Ward46, N.K. Watson44, A.D. Webber53, D. Websdale52, M. Whitehead47, J. Wicht37, J. Wiechczynski25, D. Wiedner11, L. Wiggers40, G. Wilkinson54, M.P. Williams47,48, M. Williams55, F.F. Wilson48, J. Wishahi9, M. Witek25, S.A. Wotton46, S. Wright46, S. Wu3, K. Wyllie37, Y. Xie49,37, F. Xing54, Z. Xing57, Z. Yang3, R. Young49, X. Yuan3, O. Yushchenko34, M. Zangoli14, M. Zavertyaev10,a, F. Zhang3, L. Zhang57, W.C. Zhang12, Y. Zhang3, A. Zhelezov11, A. Zhokhov30, L. Zhong3, A. Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57Syracuse University, Syracuse, NY, United States 58Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 59Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ## 1 Introduction The $b\\!\rightarrow s\gamma$ transition proceeds through flavour changing neutral currents, and thus is sensitive to the effects of physics beyond the Standard Model (BSM). Although the branching fraction of the $B^{0}\\!\rightarrow K^{*0}\gamma$ decay has been measured [1, 2, 3] to be consistent with the Standard Model (SM) prediction [4], BSM effects could still be present and detectable through more detailed studies of the decay process. In particular, in the SM the photon helicity is predominantly left- handed, with a small right-handed current arising from long distance effects and from the non-zero value of the ratio of the $s$-quark mass to the $b$-quark mass. Information on the photon polarisation can be obtained with an angular analysis of the $B^{0}\\!\rightarrow K^{*0}\ell^{+}\ell^{-}$ decay ($\ell=e,\mu$) in the low dilepton invariant mass squared ($q^{2}$) region where the photon contribution dominates. The inclusion of charge-conjugate modes is implied throughout the paper. The low $q^{2}$ region also has the benefit of reduced theoretical uncertainties due to long distance contributions compared to the full $q^{2}$ region [5]. The more precise SM prediction allows for increased sensitivity to contributions from BSM. In the low $q^{2}$ interval there is a contribution from $B^{0}\rightarrow K^{*0}V(V\rightarrow\ell^{+}\ell^{-})$ where $V$ is one of the vector resonances $\rho$, $\omega$ or $\phi$; however this contribution has been calculated to be at most 1% [6]. The diagrams contributing to the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ decay are shown in Fig. 1. Figure 1: Dominant Standard Model diagrams contributing to the decay ${B^{0}\rightarrow K^{*0}e^{+}e^{-}}$. With the LHCb detector, the $B^{0}\\!\rightarrow K^{*0}\ell^{+}\ell^{-}$ analysis can be carried out using either muons [7] or electrons. Experimentally, the decay with muons in the final state produces a much higher yield per unit integrated luminosity than electrons, primarily due to the clean trigger signature. In addition, the much smaller bremsstrahlung radiation leads to better momentum resolution, allowing a more efficient selection. On the other hand, the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ decay probes lower dilepton invariant masses, thus providing greater sensitivity to the photon polarisation [5]. Furthermore, the formalism is greatly simplified due to the negligible lepton mass [8]. It is therefore interesting to carry out an angular analysis of the decay $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ in the region where the dilepton mass is less than 1000${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The lower limit is set to 30${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ since below this value the sensitivity for the angular analysis decreases because of a degradation in the precision of the orientation of the $e^{+}e^{-}$ decay plane due to multiple scattering. Furthermore, the contamination from the $B^{0}\\!\rightarrow K^{*0}\gamma$ decay, with the photon converting into an $e^{+}e^{-}$ pair in the detector material, increases significantly as $q^{2}\rightarrow 0$. The first step towards performing the angular analysis is to measure the branching fraction in this very low dilepton invariant mass region. Indeed, even if there is no doubt about the existence of this decay, no clear $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ signal has been observed in this region and therefore the partial branching fraction is unknown. The only experiments to have observed $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ to date are BaBar [9] and Belle [10], which have collected about 30 $B^{0}\\!\rightarrow K^{*0}\ell^{+}\ell^{-}$ events each in the region $q^{2}<2{\mathrm{\,Ge\kern-1.00006ptV^{2}\\!/}c^{4}}$, summing over electron and muon final states. ## 2 The LHCb detector, dataset and analysis strategy The study reported here is based on $pp$ collision data, corresponding to an integrated luminosity of 1.0 $\mbox{\,fb}^{-1}$, collected at the Large Hadron Collider (LHC) with the LHCb detector [11] at a centre-of-mass energy of 7 TeV during 2011. The LHCb detector is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. It includes a high precision tracking system consisting of a silicon-strip vertex detector (VELO) surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system has momentum resolution $(\Delta p/p)$ that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter (IP) resolution of 20$\,\upmu\rm m$ for tracks with high transverse momentum ($p_{\rm T}$). Charged hadrons are identified using two ring-imaging Cherenkov detectors. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad (SPD) and preshower (PS) detectors, an electromagnetic calorimeter (ECAL) and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The trigger [12] consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage which applies a full event reconstruction. For signal candidates to be considered in this analysis, at least one of the electrons from the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ decay must pass the hardware electron trigger, or the hardware trigger must be satisfied independently of any of the daughters of the signal $B^{0}$ candidate (usually triggering on the other $b$-hadron in the event). The hardware electron trigger requires the presence of an ECAL cluster with a transverse energy greater than 2.5 GeV. An energy deposit is also required in one of the PS cells in front of the ECAL cluster, where the threshold corresponds to the energy that would be deposited by the passage of five minimum ionising particles. Finally, at least one SPD hit is required among the SPD cells in front of the cluster. The software trigger requires a two-, three- or four- track secondary vertex with a high sum of the $p_{\rm T}$ of the tracks and a significant displacement from the primary $pp$ interaction vertices (PVs). At least one track should have $\mbox{$p_{\rm T}$}>1.7{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and IP $\chi^{2}$ with respect to the primary interaction greater than 16. The IP $\chi^{2}$ is defined as the difference between the $\chi^{2}$ of the PV reconstructed with and without the considered track. A multivariate algorithm is used for the identification of secondary vertices consistent with the decay of a $b$-hadron. The strategy of the analysis is to measure a ratio of branching fractions in which most of the potentially large systematic uncertainties cancel. The decay $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ is used as normalization mode, since it has the same final state as the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ decay and has a well measured branching fraction [13, 14], approximately 300 times larger than ${\cal B}(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})$ in the $e^{+}e^{-}$ invariant mass range 30 to 1000 ${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. Selection efficiencies are determined using data whenever possible, otherwise simulation is used, with the events weighted to match the relevant distributions in data. The $pp$ collisions are generated using Pythia 6.4 [15] with a specific LHCb configuration [16]. Hadron decays are described by EvtGen [17] in which final state radiation is generated using Photos [18]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [19, *Agostinelli:2002hh] as described in Ref. [21]. ## 3 Selection and backgrounds The candidate selection is divided into three steps: a loose selection, a multivariate algorithm to suppress the combinatorial background, and additional selection criteria to remove specific backgrounds. Candidate $K^{*0}$ mesons are reconstructed in the $K^{*0}\rightarrow K^{+}\pi^{-}$ mode. The $p_{\rm T}$ of the charged $K$ ($\pi$) mesons must be larger than 400 (300) ${\mathrm{\,Me\kern-1.00006ptV\\!/}c}$. Particle identification (PID) information is used to distinguish charged pions from kaons [22]. The difference between the logarithms of the likelihoods of the kaon and pion hypotheses is required to be larger than 0 for kaons and smaller than 5 for pions; the combined efficiency of these cuts is 88%. Candidates with a $K^{+}\pi^{-}$ invariant mass within 130 ${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the nominal $K^{*0}$ mass and a good quality vertex fit are retained for further analysis. To remove background from $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})\phi$ and $B^{0}_{s}\\!\rightarrow\phi e^{+}e^{-}$ decays, where one of the kaons is misidentified as a pion, the mass computed under the $K^{+}K^{-}$ hypothesis is required to be larger than 1040 ${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. Bremsstrahlung radiation, if not accounted for, would worsen the $B^{0}$ mass resolution. If the radiation occurs downstream of the dipole magnet the momentum of the electron is correctly measured and the photon energy is deposited in the same calorimeter cell as the electron. In contrast, if photons are emitted upstream of the magnet, the measured electron momentum will be that after photon emission, and the measured $B^{0}$ mass will be degraded. In general, these bremsstrahlung photons will deposit their energy in different calorimeter cells than the electron. In both cases, the ratio of the energy detected in the ECAL to the momentum measured by the tracking system, an important variable in identifying electrons, is unbiased. To improve the momentum reconstruction, a dedicated bremsstrahlung recovery procedure is used, correcting the measured electron momentum by the bremsstrahlung photon energy. As there is little material within the magnet, the bremsstrahlung photons are searched for among neutral clusters with an energy larger than 75 $\mathrm{\,Me\kern-1.00006ptV}$ in a well defined position given by the electron track extrapolation from before the magnet. Oppositely-charged electron pairs with an electron $p_{\rm T}$ larger than 350 ${\mathrm{\,Me\kern-1.00006ptV\\!/}c}$ and a good quality vertex are used to form $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ and $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ candidates. The $e^{+}e^{-}$ invariant mass is required to be in the range 30 – 1000 ${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ or 2400 – 3400 ${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ for the two decay modes, respectively. Candidate $K^{*0}$ mesons and $e^{+}e^{-}$ pairs are combined to form $B^{0}$ candidates which are required to have a good-quality vertex. For each $B^{0}$ candidate, the production vertex is assigned to be that with the smallest IP $\chi^{2}$. The $B^{0}$ candidate is also required to have a direction that is consistent with coming from the PV as well as a reconstructed decay point that is significantly separated from the PV. In order to maximize the signal efficiency while still reducing the high level of combinatorial background, a multivariate analysis, based on a Boosted Decision Tree (BDT) [23, *Roe] with the AdaBoost algorithm [25], is used. The signal training sample is $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ simulated data. The background training sample is taken from the upper sideband ($m_{B^{0}}>5600{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$) from half of the data sample. The variables used in the BDT are the $p_{\rm T}$, the IP and track $\chi^{2}$ of the final state particles; the $K^{*0}$ candidate invariant mass, the vertex $\chi^{2}$ and flight distance $\chi^{2}$ (from the PV) of the $K^{*0}$ and $e^{+}e^{-}$ candidates; the $B^{0}$ $p_{\rm T}$, its vertex $\chi^{2}$, flight distance $\chi^{2}$ and IP $\chi^{2}$, and the angle between the $B^{0}$ momentum direction and its direction of flight from the PV. A comparison of the BDT output for the data and the simulation for $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ decays is shown in Fig. 2. The candidates for this test are reconstructed using a ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass constraint and the background is statistically subtracted using the sPlot technique [26] based on a fit to the $B^{0}$ invariant mass spectrum. The agreement between data and simulation confirms a proper modelling of the relevant variables. The optimal cut value on the BDT response is chosen by considering the combinatorial background yield ($b$) on the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ invariant mass distribution outside the signal region111The signal region is defined as $\pm 300{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ around the nominal $B^{0}$ mass. and evaluating the signal yield ($s$) using the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ simulation assuming a visible $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ branching fraction of $2.7\times 10^{-7}$. The quantity $s/\sqrt{s+b}$ serves as an optimisation metric, for which the optimal BDT cut is 0.96. The signal efficiency of this cut is about 93% while the background is reduced by two orders of magnitude. Figure 2: Output of the BDT for $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ data (points) and simulation (red line). After applying the BDT selection, specific backgrounds from decays that have the same visible final state particles as the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ signal remain. Since some of these backgrounds have larger branching fractions, additional requirements are applied to the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ and $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ candidates. A large non-peaking background comes from the $B^{0}\\!\rightarrow D^{-}e^{+}\nu$ decay, with ${D^{-}\rightarrow e^{-}{\overline{\nu}}K^{*0}}$. The branching fraction for this channel is about five orders of magnitude larger than that of the signal. When the neutrinos have low energies, the signal selections are ineffective at rejecting this background. Therefore, the $K^{*0}e^{-}$ invariant mass is required to be larger than 1900 ${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, which is 97% efficient on signal decays. Another important source of background comes from the $B^{0}\\!\rightarrow K^{*0}\gamma$ decay, where the photon converts into an $e^{+}e^{-}$ pair. In LHCb, approximately 40% of the photons convert before the calorimeter, and although only about 10% are reconstructed as an $e^{+}e^{-}$ pair, the resulting mass of the $B^{0}$ candidate peaks in the signal region. This background is suppressed by a factor 23 after the selection cuts (including the 30${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ minimum requirement on the $e^{+}e^{-}$ invariant mass). The fact that signal $e^{+}e^{-}$ pairs are produced at the $B^{0}$ decay point, whereas conversion electrons are produced in the VELO detector material, is exploited to further suppress this background. The difference in the $z$ coordinates, $\Delta z$, between the first VELO hit and the expected position of the first hit, assuming the electron was produced at the $K^{*0}$ vertex, should satisfy $|\Delta z|<30$ mm. In addition, we require that the calculated uncertainty on the $z$-position of the $e^{+}e^{-}$ vertex be less than 30 mm, since a large uncertainty makes it difficult to determine if the $e^{+}e^{-}$ pair originates from the same vertex as the $K^{*0}$ meson, or from a point inside the detector material. These two additional requirements reject about 2/3 of the remaining $B^{0}\\!\rightarrow K^{*0}\gamma$ background, while retaining about 90% of the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ signal. After applying these cuts, the $B^{0}\\!\rightarrow K^{*0}\gamma$ contamination under the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ signal peak is estimated to be $(10\pm 3)\%$ of the expected signal yield. Other specific backgrounds have been studied using either simulated data or analytical calculations and include the decays $B\rightarrow K^{\ast}\eta,K^{\ast}\eta^{\prime},K^{\ast}\pi^{0}$ and $\mathchar 28931\relax^{0}_{b}\rightarrow\mathchar 28931\relax^{\ast}\gamma$, where $\mathchar 28931\relax^{\ast}$ represents a high mass resonance decaying into a proton and a charged kaon. The main source of background is found to be the $B\rightarrow K^{\ast}\eta$ mode, followed by a Dalitz decay ($\eta\rightarrow\gamma e^{+}e^{-}$). These events form an almost flat background in the mass range $4300-5250{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. None of these backgrounds contribute significantly in the $B^{0}$ mass region, and therefore are not specifically modelled in the mass fits described later. More generally, partially reconstructed backgrounds arise from $B$ decays with one or more decay products in addition to a $K^{*0}$ meson and an $e^{+}e^{-}$ pair. In the case of the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ decay, there are two sources for these partially reconstructed events: those from the hadronic part, such as events with higher $K^{*}$ resonances (partially reconstructed hadronic background), and those from the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ part (partially reconstructed $J/\psi$ background), such as events coming from $\psi{(2S)}$ decays. For the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ decay mode, only the partially reconstructed hadronic background has to be considered. ## 4 Fitting procedure Since the signal resolution, type and rate of backgrounds depend on whether the hardware trigger was caused by a signal electron or by other activity in the event, the data sample is divided into two mutually exclusive categories: events triggered by an extra particle $(e,\gamma,h,\mu)$ excluding the four final state particles (called HWTIS, since they are triggered independently of the signal) and events for which one of the electrons from the $B^{0}$ decay satisfies the hardware electron trigger (HWElectron). Events satisfying both requirements (20%) are assigned to the HWTIS category. The numbers of reconstructed signal candidates are determined from unbinned maximum likelihood fits to their mass distributions separately for each trigger category. The mass distribution of each category is fitted to a sum of probability density functions (PDFs) modelling the different components. 1. 1. The signal is described by the sum of two Crystal Ball functions [27] (CB) sharing all their parameters but with different widths. 2. 2. The combinatorial background is described by an exponential function. 3. 3. The shapes of the partially reconstructed hadronic and ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ backgrounds are described by non-parametric PDFs [28] determined from fully simulated events. The signal shape parameters are fixed to the values obtained from simulation, unless otherwise specified. There are seven free parameters for the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ fit for each trigger category. These include the peak value of the $B^{0}$ candidate mass, a scaling factor applied to the widths of the CB functions to take into account small differences between simulation and data, and the exponent of the combinatorial background. The remaining four free parameters are the yields for each fit component. The invariant mass distributions together with the PDFs resulting from the fit are shown in Fig. 3. The number of signal events in each category is summarized in Table 1. A fit to the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ candidates is then performed, with several parameters fixed to the values found from the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ fit. These fixed parameters are the scaling factor applied to the widths of the CB functions, the peak value of the $B^{0}$ candidate mass and the ratio of the partially reconstructed hadronic background to the signal yield. The $B^{0}\\!\rightarrow K^{*0}\gamma$ yield is fixed in the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ mass fit using the fitted $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ signal yield, the ratio of efficiencies of the $B^{0}\\!\rightarrow K^{*0}\gamma$ and $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ modes, and the ratio of branching fractions ${\cal B}(B^{0}\\!\rightarrow K^{*0}\gamma)/{\cal B}(B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0})$. Hence there are three free parameters for the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ fit for each trigger category: the exponent and yield of the combinatorial background and the signal yield. The invariant mass distributions together with the PDFs resulting from the fit are shown in Fig. 4. The signal yield in each trigger category is summarized in Table 1. The probability of the background fluctuating to obtain the observed signal corresponds to 4.1 standard deviations for the HWElectron category and 2.4 standard deviations for the HWTIS category, as determined from the change in the value of twice the natural logarithm of the likelihood of the fit with and without signal. Combining the two results, the statistical significance of the signal corresponds to 4.8 standard deviations. Figure 3: Invariant mass distributions for the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ decay mode for the (left) HWElectron and (right) HWTIS trigger categories. The dashed line is the signal PDF, the light grey area corresponds to the combinatorial background, the medium grey area is the partially reconstructed hadronic background and the dark grey area is the partially reconstructed ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ background component. Figure 4: Invariant mass distributions for the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ decay mode for the (left) HWElectron and (right) HWTIS trigger categories. The dashed line is the signal PDF, the light grey area corresponds to the combinatorial background, the medium grey area is the partially reconstructed hadronic background and the black area is the $B^{0}\\!\rightarrow K^{*0}\gamma$ component. Table 1: Signal yields with their statistical uncertainties. Trigger category | $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ | $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ ---|---|--- HWElectron | $5082\pm 104$ | $15.0\,^{+5.1}_{-4.5}$ HWTIS | $4305\pm 101$ | $14.1\,^{+7.0}_{-6.3}$ ## 5 Results The $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ branching fraction is calculated in each trigger category using the measured signal yields and the ratio of efficiencies $\displaystyle{\cal B}(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})^{30-1000{\mathrm{\,Me\kern-0.70004ptV\\!/}c^{2}}}=$ $\displaystyle\frac{N(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})}{N(B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0})}\times r_{\rm sel}\times r_{\rm PID}\times r_{\rm HW}$ $\displaystyle\times{\cal B}(B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0})\times{\cal B}({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\\!\rightarrow e^{+}e^{-}),$ where the ratio of efficiencies is sub-divided into the contributions arising from the selection requirements (including acceptance effects, but excluding PID), $r_{\rm sel}$, the PID requirements $r_{\rm PID}$ and the trigger requirements $r_{\rm HW}$. The values of $r_{\rm sel}$ are determined using simulated data, while $r_{\rm PID}$ and $r_{\rm HW}$ are obtained directly from calibration data samples: ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\\!\rightarrow e^{+}e^{-}$ and $D^{0}\rightarrow K^{-}\pi^{+}$ from $D^{*+}$ decays for $r_{\rm PID}$ and $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ decays for $r_{\rm HW}$. The values are summarized in Table 2. The only ratio that is inconsistent with unity is the hardware trigger efficiency due to the different mean electron $p_{\rm T}$ for the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ and $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ decays. The branching fraction for the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ decay mode is taken from Ref. [14] and a correction factor of 1.02 has been applied to take into account the difference in the $K\pi$ invariant mass range used, and therefore the different S-wave contributions. Table 2: Ratios of efficiencies used for the measurement of the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ branching fraction. The ratio $r_{\rm HW}$ for the HWTIS trigger category is assumed to be equal to unity. The uncertainties are the total ones and are discussed in Sec. 6. | HWElectron category | HWTIS category ---|---|--- $r_{\rm sel}$ | $1.03\pm 0.02$ | $1.03\pm 0.02$ $r_{\rm PID}$ | $1.01\pm 0.02$ | $1.03\pm 0.02$ $r_{\rm HW}$ | $1.35\pm 0.03$ | 1 The $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ branching fraction, for each trigger category, is measured to be $\displaystyle{\cal B}(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})^{30-1000{\mathrm{\,Me\kern-0.70004ptV\\!/}c^{2}}}_{\text{HWElectron}}$ $\displaystyle=$ $\displaystyle(3.3\,^{+1.1}_{-1.0})\times 10^{-7}$ $\displaystyle{\cal B}(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})^{30-1000{\mathrm{\,Me\kern-0.70004ptV\\!/}c^{2}}}_{\text{HWTIS}}$ $\displaystyle=$ $\displaystyle(2.8\,^{+1.4}_{-1.2})\times 10^{-7},$ where the uncertainties are statistical only. ## 6 Systematic uncertainties Several sources of systematic uncertainty are considered, affecting either the determination of the number of signal events or the computation of the efficiencies. They are summarized in Table 3. The ratio of trigger efficiencies is determined using a $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ calibration sample from data, which is reweighted using the $p_{\rm T}$ of the triggering electron in order to model properly the kinematical properties of the two decays. The uncertainties due to the limited size of the calibration samples are propagated to get the related systematic uncertainty shown in Table 2. The PID calibration introduces a systematic uncertainty on the calculated PID efficiencies as given in Table 2. For the kaon and pion candidates this systematic uncertainty is estimated by comparing, in simulated events, the results obtained using a $D^{*+}$ calibration sample to the true simulated PID performance. For the $e^{+}e^{-}$ candidates, the systematic uncertainty is assessed ignoring the $p_{\rm T}$ dependence of the electron identification. The resulting effect is limited by the fact that the kinematic differences between the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ and the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ decays are small once the full selection chain is applied. The fit procedure is validated with pseudo-experiments. Samples are generated with different fractions or shapes for the partially reconstructed hadronic background, or different values for the fixed signal parameters and are then fitted with the standard PDFs. The corresponding systematic uncertainty is estimated from the bias in the results obtained by performing the fits described above. The resulting deviations from zero of each variation are added in quadrature to get the total systematic uncertainty due to the fitting procedure. The parameters of the signal shape are varied within their statistical uncertainties as obtained from the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ fit. An alternate signal shape, obtained by studying $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ signal decays in data both with and without a ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass constraint is also tried; the difference in the yields from that obtained using the nominal signal shape is taken as an additional source of uncertainty. The ratio of the partially reconstructed hadronic background to the signal yield is assumed to be identical to that determined from the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ fit. The systematic uncertainty linked to this hypothesis is evaluated by varying the ratio by $\pm 50\%$. The fraction of partially reconstructed hadronic background thus determined is in agreement within errors with the one found in $B^{0}\\!\rightarrow K^{*0}\gamma$ decays [29]. The shape of the partially reconstructed background used in the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ and the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ fits are the same. The related systematic uncertainty has been evaluated using an alternative shape obtained from charmless $b$-hadron decays. The $B^{0}\\!\rightarrow K^{*0}\gamma$ contamination in the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ signal sample is $1.2\pm 0.4$ and $1.5\pm 0.5$ events for the HWElectron and HWTIS signal samples, respectively. Combining the systematic uncertainties in quadrature, the branching fractions are found to be $\displaystyle{\cal B}(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})^{30-1000{\mathrm{\,Me\kern-0.70004ptV\\!/}c^{2}}}_{\rm HWElectron}$ $\displaystyle=$ $\displaystyle(3.3\,^{+1.1\mbox{ }+0.2}_{-1.0\mbox{ }-0.3}\pm 0.2)\times 10^{-7}$ $\displaystyle{\cal B}(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})^{30-1000{\mathrm{\,Me\kern-0.70004ptV\\!/}c^{2}}}_{\rm HWTIS}$ $\displaystyle=$ $\displaystyle(2.8\,^{+1.4\mbox{ }+0.2}_{-1.2\mbox{ }-0.3}\pm 0.2)\times 10^{-7},$ where the first error is statistical, the second systematic, and the third comes from the uncertainties on the $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ and ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\\!\rightarrow e^{+}e^{-}$ branching fractions [13, 14]. The branching ratios are combined assuming all the systematic uncertainties to be fully correlated between the two trigger categories except those related to the size of the simulation samples. The combined branching ratio is found to be ${\cal B}(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})^{30-1000{\mathrm{\,Me\kern-0.70004ptV\\!/}c^{2}}}=(3.1\,^{+0.9\mbox{ }+0.2}_{-0.8\mbox{ }-0.3}\pm 0.2)\times 10^{-7}.$ Table 3: Absolute systematic uncertainties on the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ branching ratio (in $10^{-7}$) . Source | HWElectron category | HWTIS category ---|---|--- Simulation sample statistics | 0.06 | 0.05 Trigger efficiency | 0.07 | - PID efficiency | 0.08 | 0.10 Fit procedure | ${}^{+0.09}_{-0.22}$ | ${}^{+0.07}_{-0.23}$ $B^{0}\\!\rightarrow K^{*0}\gamma$ contamination | 0.08 | 0.08 Total | ${}^{+0.17}_{-0.26}$ | ${}^{+0.16}_{-0.27}$ ## 7 Summary Using $pp$ collision data corresponding to an integrated luminosity of 1.0 $\mbox{\,fb}^{-1}$, collected by the LHCb experiment in 2011 at a centre-of- mass energy of 7$\mathrm{\,Te\kern-1.00006ptV}$, a sample of approximately 30 $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ events, in the dilepton mass range 30 to 1000${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, has been observed. The probability of the background to fluctuate upward to form the signal corresponds to 4.6 standard deviations including systematic uncertainties. The $B^{0}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}(e^{+}e^{-})K^{*0}$ decay mode is utilized as a normalization channel, and the branching fraction $\cal B$($B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$) is measured to be ${\cal B}(B^{0}\\!\rightarrow K^{*0}e^{+}e^{-})^{30-1000{\mathrm{\,Me\kern-0.70004ptV\\!/}c^{2}}}=(3.1\,^{+0.9\mbox{ }+0.2}_{-0.8\mbox{ }-0.3}\pm 0.2)\times 10^{-7}.$ This result can be compared to theoretical predictions. A simplified formula suggested in Ref. [5] takes into account only the photon diagrams of Fig. 1. When evaluated in the 30 to 1000${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ $e^{+}e^{-}$ invariant mass interval using $\cal B$($B^{0}\\!\rightarrow K^{*0}\gamma$) [1, 2, 3], it predicts a $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ branching fraction of $2.35\times 10^{-7}$. A full calculation has been recently performed [30] and the numerical result for the $e^{+}e^{-}$ invariant mass interval of interest is $(2.43^{+0.66}_{-0.47})\times 10^{-7}$. The consistency between the two values reflects the photon pole dominance. The result presented here is in good agreement with both predictions. Using the full LHCb data sample obtained in 2011 – 2012 it will be possible to do an angular analysis. The measurement of the $A_{\mathrm{T}}^{2}$ parameter [8] thus obtained, is sensitive to the existence of right handed currents in the virtual loops in diagrams similar to those of Fig. 1. For this purpose, the analysis of the $B^{0}\\!\rightarrow K^{*0}e^{+}e^{-}$ decay is complementary to that of the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ mode. Indeed, it is predominantly sensitive to a modification of $\mathcal{C}_{7}$ (the so-called $\mathcal{C}_{7}^{{}^{\prime}}$ terms) while, because of the higher $q^{2}$ in the decay, the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ $A_{\mathrm{T}}^{2}$ parameter has a larger possible contribution from the $\mathcal{C}_{9}^{{}^{\prime}}$ terms [31]. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are thankful for the computing resources put at our disposal by Yandex LLC (Russia), as well as to the communities behind the multiple open source software packages that we depend on. ## References * [1] BaBar collaboration, B. 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arxiv-papers
2013-04-10T17:42:51
2024-09-04T02:49:44.102935
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, M. Benayoun, G.\n Bencivenni, S. Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M.\n van Beuzekom, A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T.\n Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W.\n Bonivento, S. Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T.\n Brambach, J. van den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton,\n N.H. Brook, H. Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S.\n Cadeddu, O. Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, D.\n Campora Perez, A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H.\n Carranza-Mejia, L. Carson, K. Carvalho Akiba, G. Casse, M. Cattaneo, Ch.\n Cauet, M. Charles, Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K.\n Ciba, X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, B.\n Couturier, G.A. Cowan, D.C. Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P.\n David, P.N.Y. David, I. De Bonis, K. De Bruyn, S. De Capua, M. De Cian, J.M.\n De Miranda, L. De Paula, W. De Silva, P. De Simone, D. Decamp, M. Deckenhoff,\n L. Del Buono, D. Derkach, O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra,\n M. Dogaru, S. Donleavy, F. Dordei, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya,\n F. Dupertuis, R. Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U. Egede, V.\n Egorychev, S. Eidelman, D. van Eijk, S. Eisenhardt, U. Eitschberger, R.\n Ekelhof, L. Eklund, I. El Rifai, Ch. Elsasser, D. Elsby, A. Falabella, C.\n F\\\"arber, G. Fardell, C. Farinelli, S. Farry, V. Fave, D. Ferguson, V.\n Fernandez Albor, F. Ferreira Rodrigues, M. Ferro-Luzzi, S. Filippov, M.\n Fiore, C. Fitzpatrick, M. Fontana, F. Fontanelli, R. Forty, O. Francisco, M.\n Frank, C. Frei, M. Frosini, S. Furcas, E. Furfaro, A. Gallas Torreira, D.\n Galli, M. Gandelman, P. Gandini, Y. Gao, J. Garofoli, P. Garosi, J. Garra\n Tico, L. Garrido, C. Gaspar, R. Gauld, E. Gersabeck, M. Gersabeck, T.\n Gershon, Ph. Ghez, V. Gibson, V.V. Gligorov, C. G\\\"obel, D. Golubkov, A.\n Golutvin, A. Gomes, H. Gordon, M. Grabalosa G\\'andara, R. Graciani Diaz, L.A.\n Granado Cardoso, E. Graug\\'es, G. Graziani, A. Grecu, E. Greening, S.\n Gregson, O. Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C.\n Hadjivasiliou, G. Haefeli, C. Haen, S.C. Haines, S. Hall, T. Hampson, S.\n Hansmann-Menzemer, N. Harnew, S.T. Harnew, J. Harrison, T. Hartmann, J. He,\n V. Heijne, K. Hennessy, P. Henrard, J.A. Hernando Morata, E. van Herwijnen,\n E. Hicks, D. Hill, M. Hoballah, C. Hombach, P. Hopchev, W. Hulsbergen, P.\n Hunt, T. Huse, N. Hussain, D. Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik,\n P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, P. Jaton, F. Jing, M. John, D.\n Johnson, C.R. Jones, B. Jost, M. Kaballo, S. Kandybei, M. Karacson, T.M.\n Karbach, I.R. Kenyon, U. Kerzel, T. Ketel, A. Keune, B. Khanji, O. Kochebina,\n I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L.\n Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M.\n Kucharczyk, V. Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G.\n Lafferty, A. Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C.\n Langenbruch, T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees,\n R. Lef\\`evre, A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B.\n Leverington, Y. Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G.\n Liu, S. Lohn, I. Longstaff, J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H.\n Lu, D. Lucchesi, J. Luisier, H. Luo, F. Machefert, I.V. Machikhiliyan, F.\n Maciuc, O. Maev, S. Malde, G. Manca, G. Mancinelli, U. Marconi, R. M\\\"arki,\n J. Marks, G. Martellotti, A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M.\n Martinelli, D. Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev,\n Z. Mathe, C. Matteuzzi, E. Maurice, A. Mazurov, J. McCarthy, R. McNulty, A.\n Mcnab, B. Meadows, F. Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N.\n Minard, J. Molina Rodriguez, S. Monteil, D. Moran, P. Morawski, M.J. Morello,\n R. Mountain, I. Mous, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B.\n Muster, P. Naik, T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N.\n Neufeld, A.D. Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R.\n Niet, N. Nikitin, T. Nikodem, A. Nomerotski, A. Novoselov, A.\n Oblakowska-Mucha, V. Obraztsov, S. Oggero, S. Ogilvy, O. Okhrimenko, R.\n Oldeman, M. Orlandea, J.M. Otalora Goicochea, P. Owen, A. Oyanguren, B.K.\n Pal, A. Palano, M. Palutan, J. Panman, A. Papanestis, M. Pappagallo, C.\n Parkes, C.J. Parkinson, G. Passaleva, G.D. Patel, M. Patel, G.N. Patrick, C.\n Patrignani, C. Pavel-Nicorescu, A. Pazos Alvarez, A. Pellegrino, G. Penso, M.\n Pepe Altarelli, S. Perazzini, D.L. Perego, E. Perez Trigo, A. P\\'erez-Calero\n Yzquierdo, P. Perret, M. Perrin-Terrin, G. Pessina, K. Petridis, A.\n Petrolini, A. Phan, E. Picatoste Olloqui, B. Pietrzyk, T. Pila\\v{r}, D.\n Pinci, S. Playfer, M. Plo Casasus, F. Polci, G. Polok, A. Poluektov, E.\n Polycarpo, D. Popov, B. Popovici, C. Potterat, A. Powell, J. Prisciandaro, C.\n Prouve, V. Pugatch, A. Puig Navarro, G. Punzi, W. Qian, J.H. Rademacker, B.\n Rakotomiaramanana, M.S. Rangel, I. Raniuk, N. Rauschmayr, G. Raven, S.\n Redford, M.M. Reid, A.C. dos Reis, S. Ricciardi, A. Richards, K. Rinnert, V.\n Rives Molina, D.A. Roa Romero, P. Robbe, E. Rodrigues, P. Rodriguez Perez, S.\n Roiser, V. Romanovsky, A. Romero Vidal, J. Rouvinet, T. Ruf, F. Ruffini, H.\n Ruiz, P. Ruiz Valls, G. Sabatino, J.J. Saborido Silva, N. Sagidova, P. Sail,\n B. Saitta, C. Salzmann, B. Sanmartin Sedes, M. Sannino, R. Santacesaria, C.\n Santamarina Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta,\n M. Savrie, D. Savrina, P. Schaack, M. Schiller, H. Schindler, M. Schlupp, M.\n Schmelling, B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune, R.\n Schwemmer, B. Sciascia, A. Sciubba, M. Seco, A. Semennikov, K. Senderowska,\n I. Sepp, N. Serra, J. Serrano, P. Seyfert, M. Shapkin, I. Shapoval, P.\n Shatalov, Y. Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V.\n Shevchenko, A. Shires, R. Silva Coutinho, T. Skwarnicki, N.A. Smith, E.\n Smith, M. Smith, M.D. Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza\n De Paula, B. Spaan, A. Sparkes, P. Spradlin, F. Stagni, S. Stahl, O.\n Steinkamp, S. Stoica, S. Stone, B. Storaci, M. Straticiuc, U. Straumann, V.K.\n Subbiah, S. Swientek, V. Syropoulos, M. Szczekowski, P. Szczypka, T. Szumlak,\n S. T'Jampens, M. Teklishyn, E. Teodorescu, F. Teubert, C. Thomas, E. Thomas,\n J. van Tilburg, V. Tisserand, M. Tobin, S. Tolk, D. Tonelli, S.\n Topp-Joergensen, N. Torr, E. Tournefier, S. Tourneur, M.T. Tran, M. Tresch,\n A. Tsaregorodtsev, P. Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, D.\n Urner, U. Uwer, V. Vagnoni, G. Valenti, R. Vazquez Gomez, P. Vazquez\n Regueiro, S. Vecchi, J.J. Velthuis, M. Veltri, G. Veneziano, M. Vesterinen,\n B. Viaud, D. Vieira, X. Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D.\n Voong, A. Vorobyev, V. Vorobyev, C. Vo\\ss, H. Voss, R. Waldi, R. Wallace, S.\n Wandernoth, J. Wang, D.R. Ward, N.K. Watson, A.D. Webber, D. Websdale, M.\n Whitehead, J. Wicht, J. Wiechczynski, D. Wiedner, L. Wiggers, G. Wilkinson,\n M.P. Williams, M. Williams, F.F. Wilson, J. Wishahi, M. Witek, S.A. Wotton,\n S. Wright, S. Wu, K. Wyllie, Y. Xie, F. Xing, Z. Xing, Z. Yang, R. Young, X.\n Yuan, O. Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C.\n Zhang, Y. Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Marie-Helene Schune", "url": "https://arxiv.org/abs/1304.3035" }
1304.3054
# Friedmann equations from emergence of cosmic space Ahmad Sheykhi111 [email protected] Physics Department and Biruni Observatory, College of Sciences, Shiraz University, Shiraz 71454, Iran Center for Excellence in Astronomy and Astrophysics (CEAA-RIAAM) Maragha, P. O. Box 55134-441, Iran ###### Abstract Padmanabhan [arXiv:1206.4916] argues that the cosmic acceleration can be understood from the perspective that spacetime dynamics is an emergence phenomena. By calculating the difference between the surface degrees of freedom and the bulk degrees of freedom in a region of space, he also arrived at Friedmann equation in flat universe. In this paper, by modification his proposal, we are able to derive the Friedmann equation of the Friedmann- Robertson-Walker (FRW) Universe with any spatial curvature. We also extend the study to higher dimensional spacetime and derive successfully the Friedmann equations not only in Einstein gravity, but also in Gauss-Bonnet and more general Lovelock gravity with any spacial curvature. This is the first derivation of Friedmann equations in these gravity theories in a nonflat FRW Universe by using the novel idea proposed by Padmanabhan. Our study indicates that the approach presented here is enough powerful and further supports the viability of the Padmanabhan’s perspective of emergence gravity. PACS number:04.20.Cv, 04.50.-h, 04.70.Dy ## I Introduction Physicists have been speculating on the nature and origin of gravity for a long time. Newton believed that gravity is just a force like other forces of the nature and does not affect on the space. This was a general belief until Einstein presented his theory of general relativity in $1915$. According to Einstein’s theory, gravity is just the spacetime curvature. In this new picture, the matter field tells space (geometry) how to curve, and the geometry tells matter how to move. Also, according to the equivalence principle of general relativity, gravity is just the dynamics of spacetime. This implies that gravity is an emergent phenomenon. In $1970^{\prime}s$ thermodynamics of black holes were studied. According to laws of black holes mechanics, a black hole can be regarded as a thermodynamical system which has temperature proportional to its surface gravity and an entropy proportional to its horizon area. This indicates that geometrical quantities such as horizon area and surface gravity are closely related to the thermodynamic quantities like temperature and entropy. Are there a direct connection between gravitational field equations describing the geometry of spacetime and the first law of thermodynamics? Jacobson Jac was indeed the first who answered this question by disclosing that the Einstein field equations can be derived by applying the Clausius relation $\delta Q=T\delta S$ on the horizon of spacetime, here $\delta S$ is the change in the entropy and $\delta Q$ and $T$ are, respectively, the energy flux across the horizon and the Unruh temperature seen by an accelerating observer just inside the horizon. The next great step toward understanding the nature of gravity put forwarded by Verlinde Ver in $2010$ who claimed that gravity is not a fundamental interaction but should be interpreted as an entropic force caused by changes of entropy associated with the information on the holographic screen. Applying the first principles, namely the holographic principle and the equipartition law of energy, Verlinde derived the Newton’s law of gravitation, the Poisson equation and in the relativistic regime the Einstein field equations. Although in Pad0 Padmanabhan observed that the equipartition law of energy for the horizon degrees of freedom combining with the thermodynamic relation $S=E/2T$, leads to the Newton’s law of gravity, however, the idea that gravity is not a fundamental force and can be interpreted as the entopic force was first pointed by Verlinde Ver . Following Ver , some attempts have been done to investigate the entropic origin of gravity in different setups (see Cai4 ; Other ; newref ; sheyECFE ; Ling ; Modesto ; Yi ; Sheykhi2 and references therein). Nevertheless, there are some critical comments on Verlinde’s proposal crit . Strong criticism against the entropic origin of gravity was presented by Visser Vis who claimed that the interpretation of gravity as an entropic force is untenable. According to Visser arguments Vis , if one would like to reformulate classical Newtonian gravity in terms of an entropic force, then the fact that Newtonian gravity is described by a conservative force places significant constraints on the form of the entropy and temperature functions. Although Verlinde’s proposal has changed our understanding on the origin and nature of gravity, but it considers the gravitational field equations as the equations of emergent phenomenon and leave the spacetime as a background geometric which has already exist. Is it possible to regard the spacetime itself as an emergent structure? Recently, by calculating the difference between the surface degrees of freedom and the bulk degrees of freedom in a region of space, Padmanabhan Pad1 argued that spacetime dynamics can be emerged. As a result, he is able to explain the origin of the acceleration of the universe expansion from his new perspective Pad1 . According to Padmanabhan, the spatial expansion of our universe can be regarded as the consequence of emergence of space and the cosmic space is emergent as the cosmic time progresses. Using this new idea, Padmanabhan Pad1 derived the Friedmann equation of a flat FRW Universe. Following Pad1 , Cai obtained the Friedmann equation of a higher dimensional FRW Universe in Einstein, Gauss- Bonnet and Lovelock theory Cai1 . Similar derivation were also made by the authors of Yang . Instead of modifying the number of degrees of freedom on the holographic surface of the Hubble sphere, and the volume increase, the authors of Yang , assumed that $(dV/dt)$ is proportional to a function $f(\triangle N)$. Here $\triangle N=N_{\mathrm{sur}}-N_{\mathrm{bulk}}$, where $N_{\mathrm{sur}}$ is the number of degrees of freedom on the boundary and $N_{\mathrm{bulk}}$ is the number of degrees of freedom in the bulk. When the volume of the spacetime is constant, the function $f(\triangle N)$ is equal to zero. It is worth mentioning that the authors of Cai1 ; Yang only derived the Friedmann equations of the spatially flat FRW Universe in Gauss-Bonnet and Lovelock gravities, and failed to arrive at Friedmann equations with any spacial curvature in these gravity theories. For this purpose, they proposed the Hawking temperature associated with the Hubble horizon to be $T=H/2\pi$ and the volume of the universe is $V=4\pi H^{-3}/3$. In this paper, by modifying the original proposal of Padmanabhan Pad1 , we are able to derive the Friedmann equation of the FRW Universe with any spacial curvature. Note that in a nonflat universe, the Hawking temperature and the volume are usually taken as $T=1/2\pi\tilde{r}_{A}$ and $V=4\pi\tilde{r}^{3}_{A}/3$, respectively, where $\tilde{r}_{A}$ is the apparent horizon radius CaiKim . We also generalize the study to the higher dimensional spacetime and higher order gravities, and derive the corresponding dynamical equations governing the evolution of the universe with any spacial curvature not only in Einstein gravity, but also in Gauss-Bonnet and more general lovelock gravity. For consistency, in all cases we set the integration constant equal to zero. In the next section we extract the Friedmann equation by properly modifying the proposal of Pad1 . In section III, we extend our study to higher order gravity theory in arbitrary dimension. We summarize our results in section IV. ## II Friedmann equation in 4D Einstein gravity We assume the background spacetime is spatially homogeneous and isotropic which is described by the line element $ds^{2}={h}_{ab}dx^{a}dx^{b}+\tilde{r}^{2}(d\theta^{2}+\sin^{2}\theta d\phi^{2}),$ (1) where $\tilde{r}=a(t)r$, $x^{0}=t,x^{1}=r$, the two dimensional metric is $h_{ab}$=diag $(-1,a^{2}/(1-kr^{2}))$. Here $k$ denotes the curvature of space with $k=0,1,-1$ corresponding to flat, closed, and open universes, respectively. The dynamical apparent horizon, a marginally trapped surface with vanishing expansion, is determined by the relation $h^{ab}\partial_{a}\tilde{r}\partial_{b}\tilde{r}=0$. For a dynamical spacetime, the apparent horizon has been argued to be a causal horizon and is associated with the gravitational entropy and surface gravity Bak . A simple calculation gives the apparent horizon radius for the FRW Universe as Hay $\tilde{r}_{A}=\frac{1}{\sqrt{H^{2}+k/a^{2}}},$ (2) where $H=\dot{a}/a$ is the Hubble parameter. It is widely accepted that the apparent horizon is a suitable boundary of our universe, from thermodynamic viewpoint, for which all laws of thermodynamics are hold on it. Thermodynamical properties of the apparent horizon has been studied in different setups SheyW1 ; Wang2 ; Shey3 . Following Pad1 , we assume the number of degrees of freedom on the spherical surface of apparent horizon with radius $\tilde{r}_{A}$ is proportional to its area and is given by $N_{\mathrm{sur}}=4S=\frac{4\pi\tilde{r}^{2}_{A}}{L_{p}^{2}},$ (3) where $L_{p}$ is the Planck length, $A=4\pi\tilde{r}^{2}_{A}$ represents the area of the apparent horizon and $S$ is the entropy which obeys the area law. Assume the temperature associated with the apparent horizon is the Hawking temperature CaiKim $T=\frac{1}{2\pi\tilde{r}_{A}},$ (4) and the energy contained inside the sphere with volume $V=4\pi\tilde{r}^{3}_{A}/3$ is the Komar energy $E_{\mathrm{Komar}}=|(\rho+3p)|V.$ (5) According to the equipartition law of energy, the bulk degrees of freedom obey $N_{\mathrm{bulk}}=\frac{2|E_{\mathrm{Komar}}|}{T}.$ (6) Through this paper we set $k_{B}=1=c=\hbar$ for simplicity. The novel idea of Padmanabhan is that the cosmic expansion, conceptually equivalent to the emergence of space, is being driven towards holographic equipartition, and the basic law governing the emergence of space must relate the emergence of space to the difference between the number of degrees of freedom in the holographic surface and the one in the emerged bulk Pad1 . He proposed that in an infinitesimal interval $dt$ of cosmic time, the increase $dV$ of the cosmic volume, in flat universe, is given by $\frac{dV}{dt}=L_{p}^{2}(N_{\mathrm{sur}}-N_{\mathrm{bulk}}).$ (7) In general, one may expect ${dV}/{dt}$ to be some function of $(N_{\mathrm{sur}}-N_{\mathrm{bulk}})$ which vanishes when the latter does. In this case one may regard Eq. (7) as a Taylor series expansion of this function truncated at the first order Pad1 . This approach was studied recently Yang . Motivated by (7), we propose the volume increase, in a nonflat FRW Universe, is still proportional to the difference between the number of degrees of freedom on the apparent horizon and in the bulk, but the function of proportionality is not just a constant, and it equals to the ratio of the apparent horizon and Hubble radius. Therefore we write down $\frac{dV}{dt}=L_{p}^{2}\frac{\tilde{r}_{A}}{H^{-1}}(N_{\mathrm{sur}}-N_{\mathrm{bulk}}).$ (8) It is well known that for pure de Sitter spacetime the number of degrees of freedom in a bulk and the number of degrees of freedom on the boundary surface are equal, namely $N_{\rm sur}=N_{\rm bulk}$ Pad1 . Since our universe, is not exactly de Sitter but it is asymptotically de Sitter, thus for our universe, Padmanabhan proposed Pad1 $\frac{dV}{dt}\propto(N_{\mathrm{sur}}-N_{\mathrm{bulk}}).$ (9) In order to arrive at the desired dynamical equations for the FRW Universe, in Einstein gravity, he assumed the constant of proportionality to be $L_{p}^{2}$. For a nonflat Universe and other gravity theories, the assumption (7) does not work and we found out that it should be modified as in Eq. (8). One may regard the assumption (8) to the status of a postulate and verify whether it can lead to the correct Friedmann equations describing the evolution of the Universe. In this paper, we will show that with this modification, we are able to extract the Friedmann equations with any spacial curvature in Einstein, Gauss-Bonnet and more general Lovelock gravity. This may justify the correctness of our assumption in (8). For spatially flat universe, $\tilde{r}_{A}=H^{-1}$, and one recovers the proposal (7). Taking the time derivative of the cosmic volume $V=4\pi\tilde{r}^{3}_{A}/3$, we have $\frac{dV}{dt}=4\pi\tilde{r}^{2}_{A}\dot{\tilde{r}}_{A}.$ (10) Substituting the cosmic volume $V$ and the temperature (4) in Eq. (6), we find the numbers of degrees of freedom in the bulk as $N_{\mathrm{bulk}}=-\frac{16\pi^{2}}{3}(\rho+3p)\tilde{r}_{A}^{4}.$ (11) In order to have $N_{\rm bulk}>0$, we take $\rho+3p<0$ Pad1 . Substituting Eqs. (3), (10), (11) into (8), we arrive at $4\pi\tilde{r}^{2}_{A}\dot{\tilde{r}}_{A}=L_{p}^{2}\frac{\tilde{r}_{A}}{H^{-1}}\left[\frac{4\pi\tilde{r}^{2}_{A}}{L_{p}^{2}}+\frac{16\pi^{2}}{3}(\rho+3p)\tilde{r}^{4}_{A}\right].$ (12) Rearranging the terms we obtain $4\pi\tilde{r}^{2}_{A}\left(\dot{\tilde{r}}_{A}H^{-1}-\tilde{r}_{A}\right)=\frac{16\pi^{2}L_{p}^{2}}{3}(\rho+3p)\tilde{r}^{5}_{A},$ (13) which can be simplified as $\tilde{r}^{-3}_{A}(\dot{\tilde{r}}_{A}H^{-1}-\tilde{r}_{A})=\frac{4\pi L_{p}^{2}}{3}\left[3(\rho+p)-2\rho\right].$ (14) Using the continuity equation, $\dot{\rho}+3H(\rho+p)=0,$ we reach $\tilde{r}^{-3}_{A}(\dot{\tilde{r}}_{A}H^{-1}-\tilde{r}_{A})=-\frac{4\pi L_{p}^{2}}{3}\left[\dot{\rho}H^{-1}+2\rho\right].$ (15) Multiplying the both hand side of (15) by factor $2\dot{a}a$, and using the fact that $H^{-1}=a/\dot{a}$, we get $2\dot{a}a\tilde{r}^{-2}_{A}-2a^{2}\dot{\tilde{r}}_{A}\tilde{r}^{-3}_{A}=\frac{8\pi L_{p}^{2}}{3}\left[\dot{\rho}a^{2}+2\rho\dot{a}a\right].$ (16) The above equation can be further rewritten as $\frac{d}{dt}\left(a^{2}\tilde{r}_{A}^{-2}\right)=\frac{d}{dt}\left[a^{2}\left(H^{2}+\frac{k}{a^{2}}\right)\right]=\frac{8\pi L_{p}^{2}}{3}\frac{d}{dt}(\rho a^{2}),$ (17) where we have also used relation (2). Integrating, we obtain $H^{2}+\frac{k}{a^{2}}=\frac{8\pi L_{p}^{2}}{3}\rho,$ (18) where we have set the integration constant equal to zero. In this way we derive the Friedmann equation of the FRW Universe with any spacial curvature, by calculating the difference between the number of degrees of freedom in the bulk and on the apparent horizon. Let us stress here the difference between our derivation and ones presented in Cai1 ; Yang . The authors of Cai1 ; Yang arrived at (18), by using proposal Pad1 given by Eq. (7), and interpreting the integration constant as the special curvature, while we arrive at the same result by modifying the proposal of Pad1 in the form of (8), and setting the integration constant equal to zero. ## III Friedmann equation in Gauss-Bonnet and Lovelock gravity In this section, we apply the approach developed in the previous section to derive the Friedmann equations in Gauss-Bonnet and more general Lovelock gravity with any spacial curvature. This is the first derivation of Friedmann equations in these gravity theories in a nonflat FRW Universe by using the novel idea presented in Pad1 . We first extend the approach of the previous section to the $(n+1)$-dimensional spacetime. In this case the number of degrees of freedom on the apparent horizon turn out to be Cai1 $N_{\mathrm{sur}}=\alpha\frac{A}{L_{p}^{2}},$ (19) where $A=n\Omega_{n}\tilde{r}^{n-1}_{A}$ and $\alpha=(n-1)/2(n-2)$, with $\Omega_{n}$ is the volume of an unit $n$-sphere. We also modify our proposal in (8) a little as $\alpha\frac{dV}{dt}=L_{p}^{n-1}\frac{\tilde{r}_{A}}{H^{-1}}(N_{\mathrm{sur}}-N_{\mathrm{bulk}}),$ (20) where the volume of the $n$-sphere is $V=\Omega_{n}\tilde{r}^{n}_{A}$. The bulk Komar energy in $(n+1)$-dimensions is given by Cai2 $E_{\rm Komar}=\frac{(n-2)\rho+np}{n-2}V,$ (21) and hence the bulk degrees of freedom is obtained as $N_{\rm bulk}=-4\pi\Omega_{n}\tilde{r}^{n+1}_{A}\frac{(n-2)\rho+np}{n-2},$ (22) where we take $(n-2)\rho+np<0$ in order to have $N_{\rm bulk}>0$ Pad1 . Substituting Eqs. (19) and (22) in relation (20), one gets $\tilde{r}^{-2}_{A}-\dot{\tilde{r}}_{A}H^{-1}\tilde{r}^{-3}_{A}=-\frac{8\pi L_{p}^{n-1}}{n(n-1)}[(n-2)\rho+np].$ (23) Multiplying the both hand side by factor $2\dot{a}a$, after using the continuity equation in $(n+1)$-dimensions as $\dot{\rho}+nH(\rho+p)=0,$ (24) we arrive at $\frac{d}{dt}\left[a^{2}\left(H^{2}+\frac{k}{a^{2}}\right)\right]=\frac{16\pi L_{p}^{n-1}}{n(n-1)}\frac{d}{dt}(\rho a^{2}).$ (25) Integrating, we find $H^{2}+\frac{k}{a^{2}}=\frac{16\pi L_{p}^{n-1}}{n(n-1)}\rho,$ (26) where we have set the integration constant equal to zero. This is the Friedmann equation of $(n+1)$-dimensional FRW Universe with any spacial curvature CaiKim . Up to now we only considered Einstein gravity, and derive the corresponding Friedmann equations in a Universe with spacial curvature. Now we want to see whether the above procedure works or not in other gravity theories such as the Gauss-Bonnet and more general Lovelock gravity. Lovelock gravity is the most general lagrangian which keeps the field equations of motion for the metric of second order, as the pure Einstein-Hilbert action Lov . Let us first consider the Gauss-Bonnet theory. The key point which should be noticed here is that in Gauss-Bonnet gravity the entropy of the holographic screen does not obey the area law. Static black hole solutions of Gauss-Bonnet gravity have been found and their thermodynamics have been investigated in ample details Bou ; caigb . The entropy of the static spherically symmetric black hole in Gauss-Bonnet theory has the following expression caigb $S=\frac{A_{+}}{4L_{p}^{n-1}}\left[1+\frac{n-1}{n-3}\frac{2\tilde{\alpha}}{r_{+}^{2}}\right],$ (27) where $A_{+}=n\Omega_{n}r^{n-1}_{+}$ is the horizon area and $r_{+}$ is the horizon radius. In the above expression $\tilde{\alpha}=(n-2)(n-3)\alpha$, where $\alpha$ is the Gauss-Bonnet coefficient which is positive Bou . For $n=3$ we have $\tilde{\alpha}=0$, thus the Gauss-Bonnet correction term contributes only for $n\geq 4$. We assume the entropy expression (27) also holds for the apparent horizon of the FRW Universe in Gauss-Bonnet gravity. The only change we need to apply is the replacement of the horizon radius $r_{+}$ with the apparent horizon radius $\tilde{r}_{A}$, namely $S=\frac{A}{4L_{p}^{n-1}}\left[1+\frac{n-1}{n-3}\frac{2\tilde{\alpha}}{\tilde{r}_{A}^{2}}\right],$ (28) where $A=n\Omega_{n}\tilde{r}_{A}^{n-1}$ is the apparent horizon area. We define the effective area of the holographic surface corresponding to the entropy (28) as $\displaystyle\widetilde{A}=n\Omega_{n}\tilde{r}_{A}^{n-1}\left[1+\frac{n-1}{n-3}\frac{2\tilde{\alpha}}{\tilde{r}_{A}^{2}}\right].$ (29) Now we calculate the increasing in the effective volume as $\displaystyle\frac{d\widetilde{V}}{dt}$ $\displaystyle=$ $\displaystyle\frac{\tilde{r}_{A}}{(n-1)}\frac{d\widetilde{A}}{dt}=n\Omega_{n}\dot{\tilde{r}}_{A}\tilde{r}^{n-1}_{A}(1+2\tilde{\alpha}\tilde{r}^{-2}_{A})$ (30) $\displaystyle=$ $\displaystyle-\frac{n\Omega_{n}\tilde{r}^{n+2}_{A}}{2}\frac{d}{dt}\left(\tilde{r}^{-2}_{A}+\tilde{\alpha}\tilde{r}^{-4}_{A}\right).$ (31) Inspired by (31), we propose that the number of degrees of freedom on the apparent horizon, in Gauss-Bonnet gravity, is given by $N_{\mathrm{sur}}=\frac{\alpha n\Omega_{n}\tilde{r}^{n+1}_{A}}{L_{p}^{n-1}}\left(\tilde{r}^{-2}_{A}+\tilde{\alpha}\tilde{r}^{-4}_{A}\right).$ (32) The bulk degrees of freedom is still given by (22). Inserting Eqs. (22), (30) and (32) in relation (20), with replacing $V\rightarrow\tilde{V}$, we obtain $\displaystyle(\tilde{r}^{-2}_{A}+\tilde{\alpha}\tilde{r}^{-4}_{A})-\dot{\tilde{r}}_{A}H^{-1}\tilde{r}^{-3}_{A}(1+2\tilde{\alpha}\tilde{r}^{-2}_{A})$ (33) $\displaystyle=$ $\displaystyle-\frac{8\pi L_{p}^{n-1}}{n(n-1)}[(n-2)\rho+np].$ (34) Multiplying the both hand side of (34) by factor $2\dot{a}a$, with help of continuity equation (24) and relation (2), we get $\frac{d}{dt}\Bigg{\\{}a^{2}\left[H^{2}+\frac{k}{a^{2}}+\tilde{\alpha}\left(H^{2}+\frac{k}{a^{2}}\right)^{2}\right]\Bigg{\\}}=\frac{16\pi L_{p}^{n-1}}{n(n-1)}\frac{d}{dt}(\rho a^{2}).$ (35) Integrating, we find $H^{2}+\frac{k}{a^{2}}+\tilde{\alpha}\left(H^{2}+\frac{k}{a^{2}}\right)^{2}=\frac{16\pi L_{p}^{n-1}}{n(n-1)}\rho,$ (36) where again we have set the integration constant equal to zero. This is indeed, the corresponding Friedmann equation of the FRW Universe with any spacial curvature in Gauss-Bonnet gravity CaiKim . Note that the authors of Refs. Cai1 ; Yang could derive the above equation only in a flat FRW Universe, while we derive it with arbitrary spacial curvature. This may show the viability of our proposal (20). Finally, we consider the more general Lovelock gravity. The entropy of the spherically symmetric black hole solutions in Lovelock theory can be expressed as caiLo $S=\frac{A_{+}}{4L_{p}^{n-1}}\sum_{i=1}^{m}\frac{i(n-1)}{(n-2i+1)}{\hat{c}_{i}}{{r}_{+}}^{2-2i},$ (37) where $m=[n/2]$ and the coefficients ${\hat{c}_{i}}$ are given by ${\hat{c}_{0}}=\frac{{c_{0}}}{n(n-1)},\ \ {\hat{c}_{1}}=1,\ \ {\hat{c}_{i}}=c_{i}\prod_{j=3}^{2m}(n+1-j)\ \ i>1.$ (38) We further assume the entropy expression (37) are valid for a FRW Universe bounded by the apparent horizon in the Lovelock gravity provided we replace the horizon radius $r_{+}$ with the apparent horizon radius $\tilde{r}_{A}$, namely $S=\frac{A}{4L_{p}^{n-1}}\sum_{i=1}^{m}\frac{i(n-1)}{(n-2i+1)}{\hat{c}_{i}}{\tilde{r}_{A}}^{2-2i}.$ (39) It is easy to show that, the first term in the above expression leads to the well known area law. The second term yields the apparent horizon entropy in Gauss-Bonnet gravity. We suppose from the entropy expression that the effective area of the apparent horizon in Lovelock gravity is given by $\displaystyle\widetilde{A}=n\Omega_{n}\tilde{r}^{n-1}_{A}\sum_{i=1}^{m}\frac{i(n-1)}{(n-2i+1)}{\hat{c}_{i}}{\tilde{r}_{A}}^{2-2i},$ (40) and the increase of the effective volume is then given by $\displaystyle\frac{d\widetilde{V}}{dt}$ $\displaystyle=$ $\displaystyle\frac{\tilde{r}_{A}}{(n-1)}\frac{d\widetilde{A}}{dt}=n\Omega_{n}\tilde{r}^{n+1}_{A}\left(\sum_{i=1}^{m}i\hat{c}_{i}{\tilde{r}_{A}}^{-2i}\right)\dot{\tilde{r}}_{A}$ (41) $\displaystyle=$ $\displaystyle-\frac{n\Omega_{n}\tilde{r}^{n+2}_{A}}{2}\frac{d}{dt}\left(\sum_{i=1}^{m}\hat{c}_{i}{\tilde{r}_{A}}^{-2i}\right).$ (42) In this case, we assume from (42) that the number of degrees of freedom on the apparent horizon, in Lovelock gravity, is $N_{\mathrm{sur}}=\frac{\alpha n\Omega_{n}}{L_{p}^{n-1}}\tilde{r}^{n+1}_{A}\sum_{i=1}^{m}\hat{c}_{i}{\tilde{r}_{A}}^{-2i}.$ (43) Substituting (22), (41) and (43) into (20), we reach $\displaystyle\sum_{i=1}^{m}\hat{c}_{i}{\tilde{r}_{A}}^{-2i}-\dot{\tilde{r}}_{A}H^{-1}\sum_{i=1}^{m}i\hat{c}_{i}{\tilde{r}_{A}}^{-2i-1}$ (44) $\displaystyle=$ $\displaystyle-\frac{8\pi L_{p}^{n-1}}{n(n-1)}[(n-2)\rho+np].$ (45) Multiplying the both hand side by factor $2\dot{a}a$, after using the continuity equation (24) as well as definition (2), we obtain $\frac{d}{dt}\left[a^{2}\sum_{i=1}^{m}\hat{c}_{i}\left(H^{2}+\frac{k}{a^{2}}\right)^{i}\right]=\frac{16\pi L_{p}^{n-1}}{n(n-1)}\frac{d}{dt}(\rho a^{2}).$ (46) After integrating and setting the constant of integration equal to zero, we find the corresponding Friedmann equation of the FRW Universe with any spacial curvature in Lovelock gravity, $\sum_{i=1}^{m}\hat{c}_{i}\left(H^{2}+\frac{k}{a^{2}}\right)^{i}=\frac{16\pi L_{p}^{n-1}}{n(n-1)}\rho.$ (47) This is exactly the result obtained in CaiKim by applying the first law of thermodynamics on the apparent horizon of the FRW Universe in Lovelock gravity. Here we arrived at the same result by using quite different approach. This indicates that, given the entropy expression at hand, one is able to reproduce the corresponding dynamical equation with any spacial curvature, by applying the proposal (20). ## IV Summary and discussion We have investigated the novel idea recently proposed by Padmanabhan Pad1 , which states that the emergence of space and Universe expansion can be understood by calculating the difference between the number of degrees of freedom on the Hubble horizon and the one in the emerged bulk. Applying this idea to a flat FRW Universe with Hubble horizon, he derived the dynamical equation describing the evolution of the Universe Pad1 . In this paper, by properly modification his idea, we derived the Friedmann equation of a FRW Universe with any spacial curvature. Our approach not only works in Einstein gravity, but also works very well in Gauss-Bonnet and more general Lovelock gravity. The key assumption here is that in a nonflat Universe, the volume increase, is still proportional to the difference between the number of degrees of freedom on the apparent horizon and in the bulk, but the function of proportionality is not just the constant $L_{p}^{2}$, instead it equals to the ratio of the apparent horizon radius and the Hubble radius, i.e., $L_{p}^{2}\tilde{r}_{A}/H^{-1}$. It is important to note that Padmanabhan’s proposal (7) can lead to the Friedmann equation with spacial curvature only in Einstein gravity Cai1 ; Yang . The main result of the present work is that the modified proposal (8) can lead to the Friedmann equations of the FRW Universe with any spacial curvature in higher order gravity theories. Indeed, while the authors of Cai1 ; Yang interpreted the integration constant as the spatial curvature $k$ in Einstein gravity, they failed to interpret the constant of integration as the spatial curvature in the cases of Gauss-Bonnet and Lovelock gravities. This is due to the fact that, in Einstein gravity, the de Sitter Universe can be described either by $k=0$ or $k=1$. As a result, in Gauss-Bonnet and Lovelock gravity, with proposal (7), they could only derive the Friedmann equations of the flat Universe. In summary, given the entropy expression at hand, one is able to reproduce the corresponding dynamical equation of the FRW Universe with any spacial curvature, by calculating the difference between the horizon degrees of freedom and the bulk degrees of freedom in a region of space and applying the proposal (8). The results obtained in this paper together with those of Cai1 ; Yang further support the new proposal of Padmanabhan Pad1 and its modification as (8) and show that this approach is powerful enough to apply for deriving the dynamical equations describing the evolution of the Universe in other gravity theories with any spacial curvature. ###### Acknowledgements. 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arxiv-papers
2013-04-10T19:01:19
2024-09-04T02:49:44.114397
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Ahmad Sheykhi", "submitter": "Ahmad Sheykhi", "url": "https://arxiv.org/abs/1304.3054" }
1304.3057
# Rotating black strings in $f(R)$-Maxwell theory A. Sheykhi1,[email protected], S. Salarpour 3 and Y. Bahrampour [email protected] 1 Physics Department and Biruni Observatory, College of Sciences, Shiraz University, Shiraz 71454, Iran 2 Research Institute for Astrophysics and Astronomy of Maragha (RIAAM), P.O. Box 55134-441, Maragha, Iran 3 Department of Physics, Shahid Bahonar University, P.O. Box 76175, Kerman, Iran 4 Department of Mathematics, Shahid Bahonar University, P.O. Box 76175, Kerman, Iran ###### Abstract In general, the field equations of $f(R)$ theory coupled to a matter field are very complicated and hence it is not easy to find exact analytical solutions. However, if one considers traceless energy-momentum tensor for the matter source as well as constant scalar curvature, one can derive some exact analytical solutions from $f(R)$ theory coupled to a matter field. In this paper, by assuming constant curvature scalar, we construct a class of charged rotating black string solutions in $f(R)$-Maxwell theory. We study the physical properties and obtain the conserved quantities of the solutions. The conserved and thermodynamic quantities computed here depend on function $f^{\prime}(R_{0})$ and differ completely from those of Einstein theory in AdS spaces. Besides, unlike Einstein gravity, the entropy does not obey the area law. We also investigate the validity of the first law of thermodynamics as well as the stability analysis in the canonical ensemble, and show that the black string solutions are always thermodynamically stable in $f(R)$-Maxwell theory with constant curvature scalar. Finally, we extend the study to the case where the Ricci scalar is not a constant and in particular $R=R(r)$. In this case, by using the Lagrangian multipliers method, we derive an analytical black string solution from $f(R)$ gravity and reconstructed the function $R(r)$. We find that this class of solutions has an additional logaritmic term in the metric function which incorporates the effect of the $f(R)$ theory in the solutions. Keywords: modified gravity; string; thermodynamics. ## I Introduction There has been considerable attentions in the past years in modified gravity theories, specially $f(R)$ theory which is one of the encouraging candidates for explaining the current accelerating of the universe expansion Odin ; Capo (see also Anto for a comprehensive review on $f(R)$ theories). In fact $f(R)$ theories can be regarded as the simplest extension of general relativity. Many $f(R)$ models have passed all the available experimental tests and fit the cosmological data. To prevent a ghost state, $f^{\prime}(R)>0$ for $R\geq R_{0}$ is required Nun ; Fara . $f^{\prime\prime}(R)>0$ for $R\geq R_{0}$, is needed to avoid the negative mass squared of a scalar-field degree of freedom (tachyon) Anto . $f(R)\rightarrow R-2\Lambda$ for $R\geq R_{0}$, is required for the presence of the matter era and for consistency with local gravity constraints Anto . It was shown that $f(R)$ theories can be considered as general relativity with an additional scalar field that provide new insight in the two cases of Brans-Dicke theory with ${\omega}_{0}=0$ and ${\omega}_{0}=-3/2$ Soti . There have been a lot of works in the literature attempting to construct static and stationary black hole solutions in $f(R)$ gravity theories. One may expect that some signatures of black holes in $f(R)$ theories will be in disagreement with the expected physical results of Einstein’s gravity. In Cruz the authors studied general solutions in $f(R)$ theory using a perturbation approach around the Einstein-Hilbert action. In Psal black hole solutions were found by adding dynamical vector and tensor degrees of freedom to the Einstein-Hilbert action. Also, the transition from neutron stars to a strong scalar- field state in $f(R)$ gravity has been studied in Nova . Physical properties of the matter forming an accretion disk in the spherically symmetric background in $f(R)$ theories were explored in Pun . In Ref. Lobo the construction of traversable wormhole geometries was discussed in $f(R)$ gravity. The Schwarzschild-de Sitter black hole like solutions of $f(R)$ gravity were obtained for a positively constant and a non-constant curvature scalar in Cogn and Sebas , respectively. A black hole solution was obtained from $f(R)$ theories by requiring the negative constant curvature scalar Cruz . If $1+f^{\prime}(R_{0})>0$, this black hole is similar to the Schwarzschild- AdS (SAdS) black hole. It was argued that $f(R)$ and SAdS black holes have no big difference in thermodynamic quantities when using the Euclidean action approach and replacing the Newtonian constant $G$ by $G_{\rm eff}=G/(1+f^{\prime}(R_{0}))$ Cruz . It is also interesting to study black hole solutions in $f(R)$ theory coupled to a matter field. In general, the field equations of $f(R)$ theory coupled to the matter field are very complicated and hence it is not easy to find exact analytical solutions. In order to construct the constant curvature scalar black hole solutions from $f(R)$ gravity coupled to the matter, the trace of its energy-momentum tensor $T_{\mu\nu}$ should be zero Moon . Two examples for the traceless $T_{\mu\nu}$ are Maxwell and Yang-Mills fields which were studied in Moon ; Habib . Thermodynamics and properties of these solutions were also studied in ample details Moon . It was found that these solutions are similar to the Reissner- Nordström–AdS (RNAdS) black hole when making appropriate replacements Moon . The Kerr-Newman black hole solutions with non-zero constant scalar curvature in $f(R)$-Maxwell theory, their thermodynamics, as well as their local and global stability were also studied in Alex . In this paper we would like to continue the investigation on the $f(R)$ black holes, by constructing a new class of charged rotating black string solutions in $R+f(R)$-Maxwell theory with constant curvature scalar. The traceless property of the energy-momentum tensor of the Maxwell field plays a crucial role in our derivation. With assumptions $R_{0}<0$ and $1+f^{\prime}(R_{0})>0$ our solution is similar to charged black string solution in AdS space with suitable replacing the parameters. We will also suggest the suitable counterterm which removes the divergences of the action. We calculate the conserved and thermodynamic quantities of these black strings by using the counterterm method. We obtain a Smarr-type formula for the mass of the black string and check the validity of the first law of thermodynamics. We perform the stability analysis in the canonical ensemble and show that the black strings are always thermodynamically stable in $f(R)$-Maxwell theory with constant curvature scalar. Finally, we extend the study to the case where the Ricci scalar is not constant and in particular $R=R(r)$ and derive an analytical black string solution. ## II Field Equations and solutions We start from the four-dimensional $R+f(R)$ theory coupled to the Maxwell field $\displaystyle I_{G}$ $\displaystyle=$ $\displaystyle-\frac{1}{16\pi}\int_{\mathcal{M}}d^{4}x\sqrt{-g}\left(R+f(R)-F_{\mu\nu}F^{\mu\nu}\right)-\frac{1}{8\pi}\int_{\partial\mathcal{M}}d^{3}x\sqrt{-h}\Theta(h),$ (1) where ${R}$ is the Ricci scalar curvature, $F_{\mu\nu}=\partial_{\mu}A_{\nu}-\partial_{\nu}A_{\mu}$ is the electromagnetic field tensor, and $A_{\mu}$ is the electromagnetic potential. The last term in Eq. (1) is the Gibbons-Hawking boundary term. It is required for the variational principle to be well-defined. The factor $\Theta$ represents the trace of the extrinsic curvature for the boundary ${\partial\mathcal{M}}$ and $h$ is the induced metric on the boundary. The equations of motion can be obtained by varying the action (1) with respect to the gravitational field $g_{\mu\nu}$ and the gauge field $A_{\mu}$ which yields the following field equations $\displaystyle{R}_{\mu\nu}\left(1+f^{\prime}(R)\right)-\frac{1}{2}g_{\mu\nu}(R+f(R))+\left(g_{\mu\nu}\nabla^{2}-\nabla_{\mu}\nabla_{\nu}\right)f^{\prime}(R)=8\pi T_{\mu\nu},$ (2) $\displaystyle\nabla_{\mu}F^{\mu\nu}=0,$ (3) with the energy-momentum tensor $T_{\mu\nu}=\frac{1}{4\pi}\left(F_{\mu\eta}F_{\nu}^{\text{ }\eta}-\frac{1}{4}g_{\mu\nu}F_{\lambda\eta}F^{\lambda\eta}\right).$ (4) The above energy-momentum tensor is traceless in four dimension, i. e., $T^{\mu}_{\text{ }\ \mu}=0$. As we mentioned already this property plays an important role in our derivation. In Eq. (2) the “prime” denotes differentiation with respect to curvature scalar $R$. Assuming the constant curvature scalar $R=R_{0}$, the trace of Eq. (2) yields $\displaystyle R_{0}\left(1+f^{\prime}(R_{0})\right)-2\left(R_{0}+f(R_{0})\right)=0,$ (5) Solving the above equation for negative $R_{0}$, gives $\displaystyle R_{0}=\frac{2f(R_{0})}{f^{\prime}(R_{0})-1}\equiv 4{\Lambda_{\rm f}}<0.$ (6) Substituting the above relation into Eq. (2), we obtain the following equation for Ricci tensor ${R}_{\mu\nu}=\frac{1}{2}g_{\mu\nu}\left(\frac{f(R_{0})}{f^{\prime}(R_{0})-1}\right)+\frac{2}{1+f^{\prime}(R_{0})}T_{\mu\nu}.$ (7) Now, we want to construct charged rotating black string solutions of the field equations (2) and (3) and investigate their properties. We are looking for the four-dimensional rotating solution with cylindrical or toroidal horizons. The metric which describes such a spacetime can be written in the following form Lem ; shey $\displaystyle ds^{2}$ $\displaystyle=$ $\displaystyle-N(r)\left(\Xi dt- ad\phi\right)^{2}+r^{2}\left(\frac{a}{l^{2}}dt-\Xi d\phi\right)^{2}+\frac{dr^{2}}{N(r)}+\frac{r^{2}}{l^{2}}dz^{2},$ $\displaystyle\Xi^{2}$ $\displaystyle=$ $\displaystyle 1+\frac{a^{2}}{l^{2}},$ (8) where $a$ is the rotation parameter. The function $N(r)$ should be determined and $l$ has the dimension of length which is related to the constant $\Lambda_{\rm f}$ by the relation $l^{2}=-3/\Lambda_{\rm f}$. The two dimensional space, $t$=constant and $r$ =constant, can be (i) the flat torus model $T^{2}$ with topology $S^{1}\times S^{1}$, and $0\leq\phi<2\pi$, $0\leq z<2\pi l$, (ii) the standard cylindrical model with topology $R\times S^{1}$, and $0\leq\phi<2\pi$, $-\infty<z<\infty$, and (iii) the infinite plane $R^{2}$ with $-\infty<\phi<\infty$ and $-\infty<z<\infty$. We will focus upon (i) and (ii). The Maxwell equation (3) can be integrated immediately to give $\displaystyle F_{tr}$ $\displaystyle=$ $\displaystyle\frac{q\Xi}{r^{2}},$ $\displaystyle F_{\phi r}$ $\displaystyle=$ $\displaystyle-\frac{a}{\Xi}F_{tr},$ (9) where $q$ is the charge parameter of the black string. Substituting the Maxwell fields (II) as well as the metric (II) in the field equation (2) with constant curvature, the non-vanishing independent components of the field equations for $a=0$ reduce to $\displaystyle\left(1+{\it f^{\prime}(R_{0})}\right)\left(2r^{4}\frac{d^{2}N(r)}{dr^{2}}+4r^{3}\frac{dN(r)}{dr}+R_{0}r^{4}\right)-4q^{2}=0,$ (10) $\displaystyle\left(1+{\it f^{\prime}(R_{0})}\right)\left(4r^{3}\frac{dN(r)}{dr}+4r^{2}N(r)+R_{0}r^{4}\right)+4q^{2}=0.$ (11) One can easily show that the above equations have the following solution $N(r)=-\frac{2m}{r}+\frac{q^{2}}{(1+f^{\prime}(R_{0}))r^{2}}-\frac{R_{0}}{12}r^{2},$ (12) where $m$ is an integration constant which is related to the mass of the string. One can also check that these solutions satisfy equations (2)-(3) in the rotating case where $a\neq 0$. It is apparent that this spacetime is similar with asymptotically AdS black string. Indeed, with the following replacement $\displaystyle\frac{q^{2}}{\left(1+f^{\prime}(R_{0})\right)}\rightarrow Q^{2}$ (13) $\displaystyle\frac{R_{0}}{4}\rightarrow\Lambda$ (14) the solution reduces to the asymptotically AdS charged black string for $\Lambda=-3/l^{2}$ Lem . Next we study the physical properties of the solutions. The Kretschmann scalar for this solution is given by $\displaystyle R_{\mu\nu\lambda\kappa}R^{\mu\nu\lambda\kappa}=\frac{8}{3r^{8}(1+f^{\prime}(R_{0}))^{2}}\left[r^{2}(\frac{1}{16}{R_{0}}^{2}r^{6}+18m^{2})(1+f^{\prime}(R_{0}))^{2}-36mrq^{2}(1+f^{\prime}(R_{0}))+21q^{4}\right].$ (15) Figure 1: The function $N(r)$ versus $r$ for $m=2$, $f^{\prime}(R_{0})=2$ and $q=1$. $R_{0}=12$ (bold line) and $R_{0}=-12$ (continuous line). Figure 2: The function $N(r)$ versus $r$ for $m=2$, $q=1$ and $R_{0}=-12$. $f^{\prime}(R_{0})=0.5$ (bold line), $f^{\prime}(R_{0})=0$ (continuous line) and $f^{\prime}(R_{0})=-0.5$ (dashed line). Figure 3: The function $N(r)$ versus $r$ for $m=2$, $f^{\prime}(R_{0})=-2$ and $q=1$. $R_{0}=12$ (bold line) and $R_{0}=-12$ (continuous line). When $r\rightarrow 0$, the dominant term in the Kretschmann scalar is ${56q^{4}}/[(1+f^{\prime}(R_{0}))^{2}r^{8}]$. Therefore we have an essential singularity located at $r=0$. The Kretschmann scalar also approaches ${R_{0}}^{2}/6$ as $r\rightarrow\infty$. As one can see from Eq. (12), the solution is ill-defined for $f^{\prime}(R_{0})=-1$. The cases with $f^{\prime}(R_{0})>-1$ and $f^{\prime}(R_{0})<-1$ should be considered separately. In the first case where $f^{\prime}(R_{0})>-1$, there exist a cosmological horizon for $R_{0}>0$, while there is no cosmological horizons if $R_{0}<0$ (see fig. 1). Indeed, for $1+f^{\prime}(R_{0})>0$ and $R_{0}<0$ the black string can have two inner and outer horizons provided the parameters of the solutions are chosen suitably (see fig. 2). In the latter case ($f^{\prime}(R_{0})<-1$), the signature of the spacetime changes and the conserved quantities such as mass and angular momenta become negative, as we will see in the next section, thus this is not a physical case and we rule it out from our consideration (see fig. 3 ). ## III Conserved and Thermodynamic quantities Next, we calculate the conserved quantities of the solutions by using the counterterm method inspired by (A)dS/CFT correspondence Mal . The spacetimes under consideration in this paper has zero curvature boundary, $R_{abcd}(h)=0$, and therefore the counterterm for the stress energy tensor should be proportional to $h^{ab}$. We find the suitable counterterm which removes the divergences of the action in the form $I_{\rm ct}=-\frac{1}{8\pi}\int_{\partial\mathcal{M}}d^{3}x\sqrt{-h}\sqrt{-\frac{R_{0}}{3}},$ (16) where $R_{0}<0$. Having the total finite action $I=I_{G}+I_{\mathrm{ct}}$ at hand, one can use the quasilocal definition to construct a divergence free stress-energy tensor BY . Thus the finite stress-energy tensor can be written as $T^{ab}=\frac{1}{8\pi}\left[\Theta^{ab}-\Theta h^{ab}-\sqrt{-\frac{R_{0}}{3}}h^{ab}\right].$ (17) The first two terms in Eq. (17) are the variation of the action (1) with respect to $h_{ab}$, and the last term is the variation of the boundary counterterm (16) with respect to $h_{ab}$. To compute the conserved charges of the spacetime, one should choose a spacelike surface $\mathcal{B}$ in $\partial\mathcal{M}$ with metric $\sigma_{ij}$, and write the boundary metric in ADM (Arnowitt-Deser-Misner) form: $h_{ab}dx^{a}dx^{a}=-N^{2}dt^{2}+\sigma_{ij}\left(d\varphi^{i}+V^{i}dt\right)\left(d\varphi^{j}+V^{j}dt\right),$ where the coordinates $\varphi^{i}$ are the angular variables parameterizing the hypersurface of constant $r$ around the origin, and $N$ and $V^{i}$ are the lapse and shift functions respectively. When there is a Killing vector field $\mathcal{\xi}$ on the boundary, then the quasilocal conserved quantities associated with the stress tensors of Eq. (17) can be written as $Q(\mathcal{\xi)}=\int_{\mathcal{B}}d^{2}x\sqrt{\sigma}T_{ab}n^{a}\mathcal{\xi}^{b},$ (18) where $\sigma$ is the determinant of the metric $\sigma_{ij}$, $\mathcal{\xi}$ and $n^{a}$ are, respectively, the Killing vector field and the unit normal vector on the boundary $\mathcal{B}$. The first Killing vector of the spacetime is $\xi=\partial/\partial t$, and therefore its associated conserved charge of the string is the mass per unit volume. A simple calculation gives $\displaystyle M$ $\displaystyle=$ $\displaystyle\int_{\mathcal{B}}d^{2}x\sqrt{\sigma}T_{ab}n^{a}\xi^{b}=\frac{(3\Xi^{2}-1)m}{8\pi l}\left[1+f^{\prime}(R_{0})\right].$ (19) The second conserved quantity is the angular momentum per unit volume associated with the rotational Killing vectors $\varsigma=\partial/\partial\phi$ which can be calculated as $\displaystyle J=\int_{\mathcal{B}}d^{2}x\sqrt{\sigma}T_{ab}n^{a}\varsigma^{b}=\frac{3\Xi m\sqrt{\Xi^{2}-1}}{8\pi}\left[1+f^{\prime}(R_{0})\right].$ (20) For $a=0$ ($\Xi=1$), the angular momentum per unit volume vanishes, and therefore $a$ is the rotational parameters of the spacetime. Next we calculate the entropy of the black string. Let us first give a brief discussion regarding the entropy of the black hole solutions in $f(R)$ gravity. To this aim, we follow the arguments presented in Brevik . If one use the Noether charge method for evaluating the entropy associated with black hole solutions in $f(R)$ theory with constant curvature, one finds Cogn ${S}=\frac{A}{4G}f^{\prime}(R_{0}),$ (21) where $A=4\pi r_{+}^{2}$ is the horizon area. As a result, in $f(R)$ gravity, the entropy does not obey the area law and one obtains a modification of the “ area law”. Motivated by the above argument, for the rotating black string solution in $R+f(R)$ gravity, we find the entropy per unit length of the string as ${S}=\frac{r_{+}^{2}\Xi}{4l}\left[1+f^{\prime}(R_{0})\right].$ (22) Then we obtain the temperature and angular velocity of the horizon by analytic continuation of the metric. Although our solution is not static, the Killing vector $\chi=\partial_{t}+\Omega\partial_{\phi}$ (23) is the null generator of the event horizon where $\Omega$ is the angular velocity of the outer horizon. The analytical continuation of the Lorentzian metric by $t\rightarrow i\tau$ and $a\rightarrow ia$ yields the Euclidean section, whose regularity at $r=r_{+}$ requires that we should identify $\tau\sim\tau+\beta_{+}$ and $\phi\sim\phi+i\beta_{+}\Omega_{+}$ where $\beta_{+}$ and $\Omega_{+}$ are the inverse Hawking temperature and the angular velocity of the horizon. We find $\displaystyle T$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi\Xi}\left(\frac{dN(r)}{dr}\right)_{r=r_{+}}=-\frac{\left[R_{0}r_{+}^{4}(1+f^{\prime}(R_{0}))+4q^{2}\right]}{16\pi\Xi[1+f^{\prime}(R_{0})]r_{+}^{3}},$ (24) $\displaystyle\Omega$ $\displaystyle=$ $\displaystyle\frac{a}{\Xi l^{2}},$ (25) where we have used equation $N(r_{+})=0$ for omitting the mass parameter $m$ from temperature expression. Since $1+f^{\prime}(R_{0})>0$, therefore the temperature is non negative provided $\displaystyle R_{0}r_{+}^{4}(1+f^{\prime}(R_{0}))\leq-4q^{2}\rightarrow R_{0}\leq-\frac{4q^{2}}{r_{+}^{4}(1+f^{\prime}(R_{0}))},$ (26) where the equality holds for extremal black string with zero temperature. The next quantity we are going to calculate is the electric charge of the string. To determine the electric field we should consider the projections of the electromagnetic field tensor on special hypersurface. The normal vectors to such hypersurface are $u^{0}=\frac{1}{N},\text{ \ }u^{r}=0,\text{ \ }u^{i}=-\frac{V^{i}}{N},$ (27) where $N$ and $V^{i}$ are the lapse function and shift vector. Then the electric field is $E^{\mu}=g^{\mu\rho}F_{\rho\nu}u^{\nu}$, and the electric charge per unit length of the string can be found by calculating the flux of the electric field at infinity, ${Q}=\frac{\Xi q}{4\pi l\sqrt{1+f^{\prime}(R_{0})}}.$ (28) The electric potential $U$, measured at infinity with respect to the horizon, is defined by Cal $U=A_{\mu}\chi^{\mu}\left|{}_{r\rightarrow\infty}-A_{\mu}\chi^{\mu}\right|_{r=r_{+}},$ (29) where $\chi$ is the null generator of the event horizon given in Eq. (23). One can easily obtain the electric potential as $U=\frac{q}{\Xi r_{+}}\sqrt{1+f^{\prime}(R_{0})}.$ (30) Then, we consider the first law of thermodynamics for the black string. In order to do this, we obtain the mass $M$ as a function of extensive quantities $S$, ${J}$ and $Q$. Using the expression for the mass, the angular momenta, the entropy and the charge given in Eqs. (19), (20), (22) and (28) and the fact that $N(r_{+})=0$, one can obtain a Smarr-type formula as $M(S,J,Q)=\frac{J(3Z-1)}{3l\sqrt{Z(Z-1)}},$ (31) where $Z=\Xi^{2}$ is the positive real root of the following equation: $\displaystyle\frac{3\sqrt{Z-1}\pi^{2}Q^{2}l^{2}[1+f^{\prime}(R_{0})]^{2}-2J\pi\sqrt{\sqrt{Z}(1+f^{\prime}(R_{0}))Sl}+3S^{2}\sqrt{Z-1}}{2\pi\sqrt{\sqrt{Z}(1+f^{\prime}(R_{0}))Sl}}=0.$ (32) One may then regard the parameters $S$, ${J}$ and $Q$ as a complete set of extensive parameters for the mass $M(S,{J},Q)$ and define the intensive parameters conjugate to $S$, ${J}$ and $Q$. These quantities are the temperature, the angular velocities and the electric potential $\displaystyle T$ $\displaystyle=$ $\displaystyle\left(\frac{\partial M}{\partial S}\right)_{J,Q}=-\frac{J\left\\{\left[\pi Ql(1+f^{\prime}(R_{0}))\right]^{2}-3S^{2}\right\\}}{3Sl\sqrt{Z(Z-1)}\left\\{\left[\pi Ql(1+f^{\prime}(R_{0}))\right]^{2}+S^{2}\right\\}},$ (33) $\displaystyle\Omega$ $\displaystyle=$ $\displaystyle\left(\frac{\partial M}{\partial J}\right)_{S,Q}$ (34) $\displaystyle=$ $\displaystyle\frac{3\left(3Z-1\right)\left\\{\left[\pi Ql(1+f^{\prime}(R_{0}))\right]^{2}+S^{2}\right\\}-4\pi J\sqrt{\sqrt{Z}(Z-1)(1+f^{\prime}(R_{0}))Sl}}{9l\sqrt{Z(Z-1)}\left\\{\left[\pi Ql(1+f^{\prime}(R_{0}))\right]^{2}+S^{2}\right\\}},$ $\displaystyle U$ $\displaystyle=$ $\displaystyle\left(\frac{\partial M}{\partial Q}\right)_{S,J}=\frac{4\pi^{2}QlJ[1+f^{\prime}(R_{0})]^{2}}{3\sqrt{Z(Z-1)}\left\\{\left[\pi Ql(1+f^{\prime}(R_{0}))\right]^{2}+S^{2}\right\\}}.$ (35) Numerical calculations show that the intensive quantities calculated by Eqs. (33)-(35) coincide with Eqs. (24), (25) and (30), respectively. Thus, these thermodynamics quantities satisfy the first law of thermodynamics $dM=TdS+\Omega d{J}+Ud{Q}.$ (36) ## IV Thermal Stability of black string Figure 4: The function $(\partial^{2}M/\partial S^{2})_{J,Q}$ versus $q$ for $l=1$, $\Xi=1.25$, $r_{+}=0.7$ and $R_{0}=-12$. $f^{\prime}(R_{0})=0$ (bold line), $f^{\prime}(R_{0})=1$ (continuous line) and $f^{\prime}(R_{0})=2$ (dashed line). Figure 5: The function $(\partial^{2}M/\partial S^{2})_{J,Q}$ versus $r_{+}$ for $l=1$, $\Xi=1.25$, $R_{0}=-12$ and $f^{\prime}(R_{0})=1$. $q=0.5$ (bold line), $q=1$ (continuous line) and $q=1.5$ (dashed line). Figure 6: The function $(\partial^{2}M/\partial S^{2})_{J,Q}$ versus $q$ for $l=1$, $f^{\prime}(R_{0})=1$ and $R_{0}=-12$. $\Xi=1.25$, (bold line), $\Xi=1.75$, (continuous line) and $\Xi=2.25$, (dashed line). Finally, we investigate the thermal stability of rotating black string solutions in $f(R)$ gravity coupled to a matter field. The stability of a thermodynamic system with respect to small variations of the thermodynamic coordinates is usually performed by analyzing the behavior of the entropy $S(M,J,Q)$ around the equilibrium. The local stability in any ensemble requires that $S(M,{J},Q)$ be a convex function of the extensive variables or its Legendre transformation must be a concave function of the intensive variables. The stability can also be studied by the behavior of the energy $M(S,J,Q)$ which should be a convex function of its extensive variables. Thus, the local stability can in principle be carried out by finding the determinant of the Hessian matrix of $M(S,{J},Q)$ with respect to its extensive variables $X_{i}$, $\mathbf{H}_{X_{i}X_{j}}^{M}=[\partial^{2}M/\partial X_{i}\partial X_{j}]$ Cal ; Gub . In our case the mass $M$ is a function of entropy, angular momenta, and charge. The number of thermodynamic variables depends on the ensemble that is used. In the canonical ensemble, the charge and the angular momenta are fixed parameters, and therefore the positivity of the $(\partial^{2}M/\partial S^{2})_{{J},Q}$ is sufficient to ensure local stability. We find that the black string solutions are always thermally stable independent of the value of the parameters $q$ and $\Xi$. We have shown the behavior of $(\partial^{2}M/\partial S^{2})_{{J},Q}$ as a function $q$ and $r_{+}$ for different value of $\Xi$ and $f^{\prime}(R_{0})$ in figures 4-6. These figures show that the black string solutions in $f(R)$-Maxwell theory with constant curvature scalar are always thermally stable. ## V Solution with non constant Ricci scalar In this section we would like to extend the study to the case where the Ricci scalar is not a constant, instead we reconstruct it as $R=R(r)$ as a result of our calculations. In this case, we find out that we can obtain solution only in the absence of the matter field. As we mentioned in the introduction, in general, the field equations of $f(R)$ theory coupled to the matter field are very complicated and hence it is not easy to find exact analytical solutions. Thus we only consider the uncharged black string solution. We start with the following action $S=\frac{1}{16\pi}\int d^{4}x\sqrt{-g}f(R)\,,$ (37) where $f(R)$ is a generic function of the Ricci scalar $R$. We also modify our metric (II) a bit as follow $\displaystyle ds^{2}$ $\displaystyle=$ $\displaystyle-N(r)\mathrm{e}^{2\alpha(r)}\left(\Xi dt- ad\phi\right)^{2}+r^{2}\left(\frac{a}{l^{2}}dt-\Xi d\phi\right)^{2}+\frac{dr^{2}}{N(r)}+\frac{r^{2}}{l^{2}}dz^{2},$ (38) where we have added an additional function $\alpha(r)$ in the metric coefficients. For simplicity we only consider the non-rotating black string with $a=0$, thus the above metric reduces to $\displaystyle ds^{2}=-N(r)\mathrm{e}^{2\alpha(r)}dt^{2}+\frac{dr^{2}}{N(r)}+r^{2}d\phi^{2}+\frac{r^{2}}{l^{2}}dz^{2}.$ (39) The scalar curvature for metric (39) reads $\displaystyle R$ $\displaystyle=$ $\displaystyle-3\,{\frac{dN\left(r\right)}{dr}}{\frac{d\alpha\left(r\right)}{dr}}-2\,N\left(r\right)\left[{\frac{d}{dr}}\alpha\left(r\right)\right]^{2}-{\frac{d^{2}N\left(r\right)}{d{r}^{2}}}-2\,N\left(r\right){\frac{d^{2}\alpha\left(r\right)}{d{r}^{2}}}$ (40) $\displaystyle-\frac{4}{r}\frac{dN\left(r\right)}{dr}-\frac{4N\left(r\right)}{r}\frac{d\alpha\left(r\right)}{dr}-\frac{2N\left(r\right)}{{r}^{2}}\,.$ We use the Lagrangian multipliers method. In the framework of Friedmann- Robertson-Walker universe this method was studied in vile ; Capozziello ; Monica , while for static spherically symmetric black hole solutions it was investigated in Sebas ; Capozziello2 . In this approach one may consider the scalar curvature $R$ as independent Lagrangian coordinates in addition to the functions $\alpha(r)$ and $N(r)$, which appear from the metric line element. Introducing the Lagrangian multipliers $\lambda$, after using (40), the action (37) can be written $\displaystyle S$ $\displaystyle\equiv$ $\displaystyle\frac{1}{16\pi}\int dt\int d{r}\left(e^{\alpha(r)}r^{2}\right)\left\\{f(R)-\lambda\left\\{R+\left\\{3\,\left[{\frac{d}{dr}}N\left(r\right)\right]{\frac{d}{dr}}\alpha\left(r\right)\right.\right.\right.$ (41) $\displaystyle+2\,N\left(r\right)\left[{\frac{d}{dr}}\alpha\left(r\right)\right]^{2}+{\frac{d^{2}N\left(r\right)}{d{r}^{2}}}+2\,N\left(r\right)\frac{d^{2}\alpha\left(r\right)}{d{r}^{2}}+\frac{4}{r}\frac{dN\left(r\right)}{dr}$ $\displaystyle+\frac{4N\left(r\right)}{r}\frac{d\alpha\left(r\right)}{dr}+{\frac{2N\left(r\right)}{{r}^{2}}}\left.\left.\left.\right\\}\right\\}\right\\}\,.$ Varying the above action with respect to $R$, one gets $\lambda=f^{\prime}(R),$ (42) where the prime denotes the derivative with respect to the scalar curvature $R$. Substituting this value and integrating by part, the Lagrangian takes the form $\displaystyle L(\alpha,d\alpha/dr,N,dN/dr,R,dR/dr)$ $\displaystyle=$ $\displaystyle e^{\alpha}\left\\{r^{2}\left[f(R)-Rf^{\prime}(R)\right]-2f^{\prime}(R)\left(r\frac{dN(r)}{dr}+N(r)\right)\right.$ (43) $\displaystyle+\left.f^{\prime\prime}(R)\frac{dR}{dr}r^{2}\left(\frac{dN(r)}{dr}+2N(r)\frac{d\alpha(r)}{dr}\right)\right\\}\,.$ Making the variation with respect to $\alpha$, one gets the first equation of motion $\displaystyle\frac{Rf^{\prime}(R)-f(R)}{f^{\prime}(R)}+\frac{2}{r^{2}}\left[N(r)+r\frac{dN(r)}{dr}\right]$ (44) $\displaystyle+\frac{2N(r)f^{\prime\prime}(R)}{f^{\prime}(R)}\left[\frac{d^{2}R}{dr^{2}}+\left(\frac{dN(r)/dr}{2N(r)}\right)\frac{dR}{dr}+\frac{f^{\prime\prime\prime}(R)}{f^{\prime\prime}(R)}\left(\frac{dR}{dr}\right)^{2}\right]=0\,.$ The variation with respect to $N(r)$ leads the second equation of motion $\left[\frac{d\alpha(r)}{dr}\left(\frac{f^{\prime\prime}(R)}{f^{\prime}(R)}\frac{dR}{dr}\right)-\frac{f^{\prime\prime}(R)}{f^{\prime}(R)}\frac{d^{2}R}{dr^{2}}-\frac{f^{\prime\prime\prime}(R)}{f^{\prime}(R)}\left(\frac{dR}{dr}\right)^{2}\right]=0\,,$ (45) while by making the variation with respect to $R$, we recover Eq. (40). Given $f(R)$, together with equation (40), the above equations form a system of three differential equations for the three unknown quantities $\alpha(r),N(r)$ and $R(r)$. We would like to note that one advantage of this approach is that $\alpha$ does not appear in Eq.(44). In what follow, we will find exact solutions of the above system of differential equations. In the special case of constant curvature $R=R_{0}$ and $\alpha=\rm constant$, it is easy to show that the only solution of Eqs. (40) and(44) is the Schwarzshild de Sitter black string solution with flat horizon, $N(r)=-\frac{2m}{r}-\frac{\Lambda}{3}r^{2},$ (46) where $m$ is a constant of integration which can be interpreted as the mass parameter of the black string and we have defined $2\Lambda\equiv R_{0}-f(R_{0})/f^{\prime}(R_{0})$ and $R_{0}=4\Lambda$. Notice that in the absence of the matter field, $q=0$, solution (12) coincides with the result obtained in (46), as expected. Next, we consider the case of non constant Ricci curvature, but still with $\alpha=\rm constant$. From Eq. (45) we have $f^{\prime\prime\prime}\left(\frac{dR}{dr}\right)^{2}+f^{\prime\prime}\left(\frac{d^{2}R}{dr^{2}}\right)=\frac{d^{2}}{dr^{2}}f^{\prime}(R)=0,$ (47) which has the following solution, $f^{\prime}(R)=mr+n,$ (48) where $m$ and $n$ are two integration constants. Given the explicit form of $R$, we may find $r$ as a function of Ricci scalar and reconstruct $f^{\prime}(R)$ realizing such solution. From Eq. (40) with constant $\alpha$, one gets $R=-{\frac{d^{2}N\left(r\right)}{d{r}^{2}}}-\frac{4}{r}\frac{dN\left(r\right)}{dr}-\,{\frac{2N\left(r\right)}{{r}^{2}}}.$ (49) Using the fact that $(f^{\prime\prime}(R))dR/dr=df^{\prime}(R)/dr=m$ and $df(R)/dr=f^{\prime}(R)dR/dr$, and multiplying Eq. (44) by $f^{\prime}(R)$, we arrive at $-\frac{d^{2}N(r)}{dr^{2}}\left(m+\frac{n}{r}\right)+\frac{4mN(r)}{r^{2}}+\frac{2nN(r)}{r^{3}}-\frac{m}{r}\frac{dN(r)}{dr}=0\,.$ (50) When $m=0$, the solution of the above equation is ones obtained in (46). For $n=0$, the general solution is $N(r)=-C_{1}r^{2}+\frac{C_{2}}{r^{2}}.$ (51) Substituting in Eq. (49) we again arrive at constant Ricci scalar, $R=12C_{1}$. Although in this case $f^{\prime}(R)=df(R)/dR=mr$ is not a constant, but still we have $df(R)/dr=0$, which implies that $f(R)=\rm constant$. Next we look for the most general solution of Eq.(50) with $n\neq 0$ and $m\neq 0$. Solving (50), we find $\displaystyle N\left(r\right)=-C_{1}{r}^{2}+\frac{C_{2}}{r}\left[2\,{n}^{3}-3mn^{2}r+6\,{m}^{2}{r}^{2}n-6{m}^{3}r^{3}\ln\left(m+\frac{n}{r}\right)\right],$ (52) where $C_{1}$ and $C_{2}$ are two arbitrary constants. Given solution (52) one can basically construct $f(R)$ by using Eqs. (48) and (49). In order to simplify the above solution, we choose $n=1$ and $C_{2}=-1/m$, $N\left(r\right)=3-\frac{2}{mr}-6\,{mr}-C_{1}{r}^{2}+6{m}^{2}r^{2}\ln\left(m+\frac{1}{r}\right).$ (53) For this general case the Ricci scalar becomes ${R(r)}=12C_{1}-72m^{2}\ln\left(m+\frac{1}{r}\right)+\frac{6\left(12m^{3}r^{3}+18m^{2}r^{2}+4mr-1\right)}{r^{2}(mr+1)^{2}}.$ (54) which is clearly not a constant. Now we want to reconstruct the corresponding $f(R)$ theory. From Eq.(48), for $n=1$ one has $f^{\prime}(R)=\frac{df(R)}{dR}=\frac{df(R)}{dr}\frac{dr}{dR}=mr+1.$ (55) Integrating (55), by using (54), we get $f[R(r)]=-36m^{2}\ln\left(m+\frac{1}{r}\right)+\frac{3\left(12m^{3}r^{3}+18m^{2}r^{2}+4mr-2\right)}{r^{2}(ar+1)^{2}}.$ (56) Combining Eqs. (54), (55) and (56), one gets the following differential equation for function $f(R)$, $\frac{3m^{2}}{[f^{\prime}(R)]^{2}[f^{\prime}(R)-1]^{2}}+f(R)-\frac{R}{2}+6C_{1}=0.$ (57) This equation has a simple solution as $f(R)=\frac{R}{2}-6C_{1}-48m^{2},$ (58) but it has also another complicated solution which we have not presented it here. Thus we have found a black string solution in $f(R)$ gravity with non constant Ricci scalar. This approach also leads to construct Ricci scalar as a function of $r$, as given in Eq. (54). The obtained solutions in this section differ from that presented in Capozziello2 for axially symmetric solutions in $f(R)$ gravity. It is worth mentioning that metric (38) has a good property for which its static and rotating solutions coincide and so in this section we only study the static case. Following the approach of this section, one can easily check that solution (52) can be deduced for rotating case where $a\neq 0$. Besides, in this section we only considered the case with $\alpha=\rm constant$, and derived the metric function (52) as well as $R(r)$. The study can also be generalized to the case where $\alpha=\alpha(r)$. We leave it and also thermodynamic considerations of the obtained solution in this section, for future investigations. ## VI Conclusions In order to obtain the constant curvature black hole solution in $f(R)$ gravity theory coupled to a matter field, the trace of the energy-momentum tensor of the matter field should be zero Moon . Since the energy-momentum tensor of Maxwell field is traceless in four dimensions, therefore spherically symmetric black hole solutions from $f(R)$ theory coupled to Maxwell field was derived in four dimensional spacetime Moon . In this paper we continued the study by constructing a new class of charged rotating solutions in $f(R)$-Maxwell theory with constant curvature scalar. This class of solutions describe the four dimensional charged rotation black string with cylindrical or toroidal horizons with zero curvature boundary. These solutions are similar to asymptotically AdS black string of Einstein- Maxwell gravity with suitably replacement of the parameters. However, the solution presented in this paper has at least two differences from AdS black string solutions of Einstein-Maxwell gravity. First, the conserved and thermodynamic quantities computed here depend on function $f^{\prime}(R_{0})$ and differ completely from those of Einstein theory in AdS spaces. Clearly the presence of the general function $f^{\prime}(R_{0})$ changes the physical values of conserved and thermodynamic quantities. Second, unlike Einstein gravity, the entropy does not obey the area law for black string solutions in $f(R)$-Maxwell theory as one can see from Eq (22). We studied the physical properties of the solutions and found a suitable conterterm which removes the divergence of the action. We obtained mass and angular momenta of the string through the use of conterterm method. We also derived the entropy of the black string in $f(R)$ gravity which has a modification from the area law. We obtained a Smarr-type formula for the mass namely $M(S,J,Q)$ and checked that the obtained conserved and thermodynamic quantities satisfy the first law of black hole thermodynamics. Finally, we explored the thermal stability of the solutions in the canonical ensemble and showed that the black strings derived from $f(R)$\- Maxwell theory are always thermally stable. This is commensurate with the fact that there is no Hawking-Page phase transition for black objects with zero curvature horizon Wit . We also extend the study to the case where the Ricci scalar is not a constant. For this purpose we used the Lagrangian multipliers method and found an exact black string solution in $f(R)$ gravity. In this approach one may consider the scalar curvature $R(r)$ as an independent Lagrangian coordinates in addition to the metric functions and deduce $R(r)$ as a solution of the field equations. We found the explicit form of $R(r)$ as well as the metric function which has a logaritmic term. It is worth noting that since for the non constant Ricci scalar, the field equations of $f(R)$ theory coupled to the matter field become very complicated, in this case, we could only derived analytical solution in the absence of the matter field. ###### Acknowledgements. We thank the referee for constructive comments which helped us to improve the paper significantly. We also grateful to S. H. Hendi for useful comments and helpful discussions. The work of A. Sheykhi has been supported financially by Research Institute for Astronomy & Astrophysics of Maragha (RIAAM), Iran. A. Sheykhi also thank from the Research Council of Shiraz University. ## References * (1) S. Nojiri and S. D. Odintsov, Phys. Rev. D 74, 086005 (2006); S. Nojiri and S. D. Odintsov, Int. J. Geom. Meth. Mod. Phys. 4, 115 (2007); S. Nojiri and S. D. Odintsov, J. Phys. Conf. Ser. 66, 012005 (2007); S. Nojiri and S. D. Odintsov, Phys. Rept.505, 59 (2011); S. Capozziello, S. Nojiri, S. D. Odintsov and A. Troisi, Phys. Lett. B 639, 135 (2006); S. Nojiri and S. D. Odintsov, Phys. Rev. D 78, 046006 (2008). * (2) S. Capozziello, V. F. Cardone, and A. Troisi, J. Cosmol. Astropart. Phys. 08, 001 (2006); S. Capozziello, V. F. Cardone, and A. Troisi, Mon. Not. R. Astron. Soc. 375, 1423 (2007); K. Atazadeh, M. Farhoudi and H. R. Sepangi, Phys. Lett. B 660, 275 (2008); C. Corda, Astropart. Phys. 34, 587 (2011). * (3) A. De Felice, S. Tsujikawa, Living Rev. Rel. 13 (2010) 3. * (4) A. Nunez and S. Solganik, hep-th/0403159. * (5) V. Faraoni, Phys. Rev. D 74, 104017 (2006). * (6) T. P. Sotiriou and V. 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arxiv-papers
2013-04-10T19:14:32
2024-09-04T02:49:44.122032
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "S. Salarpour, A. Sheykhi and Y. Bahrampour", "submitter": "Ahmad Sheykhi", "url": "https://arxiv.org/abs/1304.3057" }
1304.3139
# The Complexity of Approximating Vertex Expansion Anand Louis Georgia Tech [email protected] Supported by National Science Foundation awards AF-0915903 and AF-0910584. Prasad Raghavendra UC Berkeley [email protected] Supported by NSF Career Award and Alfred. P. Sloan Fellowship Santosh Vempala 11footnotemark: 1 Georgia Tech [email protected] We study the complexity of approximating the vertex expansion of graphs $G=(V,E)$, defined as $\phi^{\sf V}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\min_{S\subset V}n\cdot\frac{\left\lvert N(S)\right\rvert}{\left\lvert S\right\rvert\left\lvert V\setminus S\right\rvert}.$ We give a simple polynomial-time algorithm for finding a subset with vertex expansion $\mathcal{O}\left(\sqrt{\phi^{\sf V}\log d}\right)$ where $d$ is the maximum degree of the graph. Our main result is an asymptotically matching lower bound: under the Small Set Expansion (SSE) hypothesis, it is hard to find a subset with expansion less than $C\sqrt{\phi^{\sf V}\log d}$ for an absolute constant $C$. In particular, this implies for all constant $\varepsilon>0$, it is ${\sf SSE}$-hard to distinguish whether the vertex expansion $<\varepsilon$ or at least an absolute constant. The analogous threshold for edge expansion is $\sqrt{\phi}$ with no dependence on the degree (Here $\phi$ denotes the optimal edge expansion). Thus our results suggest that vertex expansion is harder to approximate than edge expansion. In particular, while Cheeger’s algorithm can certify constant edge expansion, it is SSE-hard to certify constant vertex expansion in graphs. Our proof is via a reduction from the Unique Games instance obtained from the SSE hypothesis to the vertex expansion problem. It involves the definition of a smoother intermediate problem we call Balanced Analytic Vertex Expansion which is representative of both the vertex expansion and the conductance of the graph. Both reductions (from the UGC instance to this problem and from this problem to vertex expansion) use novel proof ideas. ## 1 Introduction Vertex expansion is an important parameter associated with a graph, one that has played a major role in both algorithms and complexity. Given a graph $G=(V,E)$, the vertex expansion of a set $S\subseteq V$ of vertices is defined as $\phi^{\sf V}(S)\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\left\lvert V\right\rvert\cdot\frac{\left\lvert N(S)\right\rvert}{\left\lvert S\right\rvert\left\lvert V\setminus S\right\rvert}$ Here $N(S)$ denotes the outer boundary of the set $S$, i.e. $N(S)=\left\\{i\in V\backslash S|\exists u\in S\textrm{ such that }\left\\{u,v\right\\}\in E\right\\}$. The vertex expansion of the graph is given by $\phi^{\sf V}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\min_{S\subset V}\phi^{\sf V}(S)$. The problem of computing $\phi^{\sf V}$ is a major primitive for many graph algorithms specifically for those that are based on the divide and conquer paradigm [LR99]. It is NP-hard to compute the vertex expansion $\phi^{\sf V}$ of a graph exactly. In this work, we study the approximability of vertex expansion $\phi^{\sf V}$ of a graph. A closely related notion to vertex expansion is that of edge expansion. The edge expansion of a set $S$ is defined as $\phi(S)\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\frac{\mu(E(S,\bar{S}))}{\mu(S)}$ and the edge expansion of the graph is $\phi=\min_{S\subset V}\phi(S)$. Graph expansion problems have received much attention over the past decades, with applications to many algorithmic problems, to the construction of pseudorandom objects and more recenlty due to their connection to the unique games conjecture. The problem of approximating edge or vertex expansion can be studied at various regimes of parameters of interest. Perhaps the simplest possible version of the problem is to distinguish whether a given graph is an expander. Fix an absolute constant $\delta_{0}$. A graph is a $\delta_{0}$-vertex (edge) expander if its vertex (edge) expansion is at least $\delta_{0}$. The problem of recognizing a vertex expander can be stated as follows: ###### Problem 1.1. Given a graph $G$, distinguish between the following two cases (Non-Expander) the vertex expansion is $<\varepsilon$ (Expander) the vertex expansion is $>\delta_{0}$ for some absolute constant $\delta_{0}$. Similarly, one can define the problem of recognizing an edge expander graph. Notice that if there is some sufficiently small absolute constant $\varepsilon$ (depending on $\delta_{0}$), for which the above problem is easy, then we could argue that it is easy to “recognize” a vertex expander. For the edge case, the Cheeger’s inequality yields an algorithm to recognize an edge expander. In fact, it is possible to distinguish a $\delta_{0}$ edge expander graph, from a graph whose edge expansion is $<\delta_{0}^{2}/2$, by just computing the second eigenvalue of the graph Laplacian. It is natural to ask if there is an efficient algorithm with an analogous guarantee for vertex expansion. More precisely, is there some sufficiently small $\varepsilon$ (an arbitrary function of $\delta_{0}$), so that one can efficiently distinguish between a graph with vertex expansion $>\delta_{0}$ from one with vertex expansion $<\varepsilon$. In this work, we show a hardness result suggesting that there is no efficient algorithm to recognize vertex expanders. More precisely, our main result is a hardness for the problem of approximating vertex expansion in graphs of bounded degree $d$. The hardness result shows that the approximability of vertex expansion degrades with the degree, and therefore the problem of recognizing expanders is hard for sufficiently large degree. Furthermore, we exhibit an approximation algorithm for vertex expansion whose guarantee matches the hardness result up to constant factors. #### Related Work The first approximation for conductance was obtained by discrete analogues of the Cheeger inequality shown by Alon-Milman [AM85] and Alon [Alo86]. Specifically, Cheeger’s inequality relates the conductance $\phi$ to the second eigenvalue of the adjacency matrix of the graph – an efficiently computable quantity. This yields an approximation algorithm for $\phi$, one that is used heavily in practice for graph partitioning. However, the approximation for $\phi$ obtained via Cheeger’s inequality is poor in terms of a approximation ratio, especially when the value of $\phi$ is small. An $\mathcal{O}\left(\log n\right)$ approximation algorithm for $\phi$ was obtained by Leighton and Rao [LR99]. Later work by Linial et al. [LLR95] and Aumann and Rabani [AR98] established a strong connection between the Sparsest Cut problem and the theory of metric spaces, in turn spurring a large and rich body of literature. The current best algorithm for the problem is an $O(\sqrt{\log n})$ approximation for due to Arora et al. [ARV04] using semidefinite programming techniques. Ambühl, Mastrolilli and Svensson [AMS07] showed that $\phi^{\sf V}$ and $\phi$ have no PTAS assuming that SAT does not have sub-exponential time algorithms. The current best approximation factor for $\phi^{\sf V}$ is $\mathcal{O}\left(\sqrt{\log n}\right)$ obtained using a convex relaxation [FHL08]. Beyond this, the situation is much less clear for the approximability of vertex expansion. Applying Cheeger’s method leads to a bound of $\mathcal{O}\left(\sqrt{d\operatorname{{\sf OPT}}}\right)$ [Alo86] where $d$ is the maximum degree of the input graph. #### Small Set Expansion Hypothesis A more refined measure of the edge expansion of a graph is its expansion profile. Specifically, for a graph $G$ the expansion profile is given by the curve $\phi(\delta)=\min_{\mu(S)\leqslant\delta}\phi(S)\qquad\qquad\forall\delta\in[0,\nicefrac{{1}}{{2}}]\,.$ The problem of approximating the expansion profile has received much less attention, and is seemingly far less tractable. In summary, the current state- of-the-art algorithms for approximating the expansion profile of a graph are still far from satisfactory. Specifically, the following hypothesis is consistent with the known algorithms for approximating expansion profile. ###### Hypothesis (Small-Set Expansion Hypothesis, [RS10]). For every constant $\eta>0$, there exists sufficiently small $\delta>0$ such that given a graph $G$ it is NP-hard to distinguish the cases, Yes: there exists a vertex set $S$ with volume $\mu(S)=\delta$ and expansion $\phi(S)\leqslant\eta$, No: all vertex sets $S$ with volume $\mu(S)=\delta$ have expansion $\phi(S)\geqslant 1-\eta$. Apart from being a natural optimization problem, the Small-Set Expansion problem is closely tied to the Unique Games Conjecture. Recent work by Raghavendra-Steurer [RS10] established reduction from the Small-Set Expansion problem to the well known Unique Games problem, thereby showing that Small-Set Expansion Hypothesis implies the Unique Games Conjecture. This result suggests that the problem of approximating expansion of small sets lies at the combinatorial heart of the Unique Games problem. In a breakthrough work, Arora, Barak, and Steurer [ABS10] showed that the problem $\textsc{Small-Set Expansion}(\eta,\delta)$ admits a subexponential algorithm, namely an algorithm that runs in time $\exp(n^{\eta}/\delta)$. However, such an algorithm does not refute the hypothesis that the problem $\textsc{Small-Set Expansion}(\eta,\delta)$ might be hard for every constant $\eta>0$ and sufficiently small $\delta>0$. The Unique Games Conjecture is not known to imply hardness results for problems closely tied to graph expansion such as Balanced Separator. The reason being that the hard instances of these problems are required to have certain global structure namely expansion. Gadget reductions from a unique games instance preserve the global properties of the unique games instance such as lack of expansion. Therefore, showing hardness for graph expansion problems often required a stronger version of the Expanding Unique Games, where the instance is guaranteed to have good expansion. To this end, several such variants of the conjecture for expanding graphs have been defined in literature, some of which turned out to be false [AKK+08]. The Small-Set Expansion Hypothesis could possibly serve as a natural unified assumption that yields all the implications of expanding unique games and, in addition, also hardness results for other fundamental problems such as Balanced Separator. In fact, Raghavendra, Steurer and Tulsiani [RST12] show that the the SSE hypothesis implies that the Cheeger’s algorithm yields the best approximation for the balanced separator problem. #### Formal Statement of Results Our first result is a simple polynomial-time algorithm to obtain a subset of vertices $S$ whose vertex expansion is at most $\mathcal{O}\left(\sqrt{\phi^{\sf V}\log d}\right)$. Here $d$ is the largest vertex degree of $G$. The algorithm is based on a Poincairé-type graph parameter called $\lambda_{\infty}$ defined by Bobkov, Houdré and Tetali [BHT00], which approximates $\phi^{\sf V}$. While $\lambda_{\infty}$ also appears to be hard to compute, its natural SDP relaxation gives a bound that is within $\mathcal{O}\left(\log d\right)$, as observed by Steurer and Tetali [ST12], which inspires our first Theorem. ###### Theorem 1.2. There exists a polynomial time algorithm which given a graph $G=(V,E)$ having vertex degrees at most $d$, outputs a set $S\subset V$, such that $\phi^{\sf V}(S)=\mathcal{O}\left(\sqrt{\phi^{\sf V}_{G}\log d}\right)$. It is natural to ask if one can prove better inapproximability results for vertex expansion than those that follow from the inapproximability results for edge expansion. Indeed, the best one could hope for would be a lower bound matching the upper bound in the above theorem. Our main result is a reduction from SSE to the problem of distinguishing between the case when vertex expansion of the graph is at most $\varepsilon$ and the case when the vertex expansion is at least $\Omega(\sqrt{\varepsilon\log d})$. This immediately implies that it is SSE-hard to find a subset of vertex expansion less than $C\sqrt{\phi^{\sf V}\log d}$ for some constant $C$. To the best of our knowledge, our work is the first evidence that vertex expansion might be harder to approximate than edge expansion. More formally, we state our main theorem below. ###### Theorem 1.3. For every $\eta>0$, there exists an absolute constant $C$ such that $\forall\varepsilon>0$ it is SSE-hard to distinguish between the following two cases for a given graph $G=(V,E)$ with maximum degree $d\geqslant 100/\varepsilon$. Yes : There exists a set $S\subset V$ of size $\left\lvert S\right\rvert\leqslant\left\lvert V\right\rvert/2$ such that $\phi^{\sf V}(S)\leqslant\varepsilon$ No : For all sets $S\subset V$, $\phi^{\sf V}(S)\geqslant\min\left\\{10^{-10},C\sqrt{\varepsilon\log d}\right\\}-\eta$ By a suitable choice of parameters in the above theorem, we obtain the main theorem of this work, Theorem 1.4. ###### Theorem 1.4. There exists an absolute constant $\delta_{0}>0$ such that for every constant $\varepsilon>0$ the following holds: Given a graph $G=(V,E)$, it is SSE-hard to distinguish between the following two cases: Yes : There exists a set $S\subset V$ of size $\left\lvert S\right\rvert\leqslant\left\lvert V\right\rvert/2$ such that $\phi^{\sf V}(S)\leqslant\varepsilon$ No : ($G$ is a vertex expander with constant expansion) For all sets $S\subset V$, $\phi^{\sf V}(S)\geqslant\delta_{0}$ In particular, the above result implies that it is SSE-hard to certify that a graph is a vertex expander with constant expansion. This is in contrast to the case of edge expansion, where the Cheeger’s inequality can be used to certify that a graph has constant edge expansion. At the risk of being redundant, we note that our main theorem implies that any algorithm that outputs a set having vertex expansion less than $C\sqrt{\phi^{\sf V}\log d}$ will disprove the SSE hypothesis; alternatively, to improve on the bound of $\mathcal{O}\left(\sqrt{\phi^{\sf V}\log d}\right)$, one has to disprove the SSE hypothesis. From an algorithmic standpoint, we believe that Theorem 1.4 exposes a clean algorithmic challenge of recognizing a vertex expander – a challenging problem that is not only interesting on its own right, but whose resolution would probably lead to a significant advance in approximation algorithms. At a high level, the proof is as follows. We introduce the notion of Balanced Analytic Vertex Expansion for Markov chains. This quantity can be thought of as a ${\sf CSP}$ on $(d+1)$-tuples of vertices. We show a reduction from Balanced Analytic Vertex Expansion of a Markov chain, say $H$, to vertex expansion of a graph, say $H_{1}$ (Section 7). Our reduction is generic and works for any Markov chain $H$. Surprisingly, the ${\sf CSP}$-like nature of Balanced Analytic Vertex Expansion makes it amenable to a reduction from Small-Set Expansion (Section 6). We construct a gadget for this reduction and study its embedding into the Gaussian graph to analyze its soundness (Section 4 and Section 5). The gadget involves a sampling procedure to generate a bounded-degree graph. ## 2 Proof Overview Figure 1: Reduction from SSE to Vertex Expansion #### Balanced Analytic Vertex Expansion To exhibit a hardness result, we begin by defining a combinatorial optimization problem related to the problem of approximating vertex expansion in graphs having largest degree $d$. This problem referred to as Balanced Analytic Vertex Expansion can be motivated as follows. Fix a graph $G=(V,E)$ and a subset of vertices $S\subset V$. For any vertex $v\in V$, $v$ is on the boundary of the set $S$ if and only if $\max_{u\in N(v)}\left\lvert\varmathbb{I}_{S}\left[u\right]-\varmathbb{I}_{S}\left[v\right]\right\rvert=1$, where $N(v)$ denotes the neighbourhood of vertex $v$. In particular, the fraction of vertices on the boundary of $S$ is given by $\operatorname*{\varmathbb{E}}_{v}\max_{u\in N(v)}\left\lvert\varmathbb{I}_{S}\left[u\right]-\varmathbb{I}_{S}\left[v\right]\right\rvert$. The symmetric vertex expansion of the set $S\subseteq V$ is given by, $n\cdot\frac{\left\lvert N(S)\cup N(V\backslash S)\right\rvert}{\left\lvert S\right\rvert\left\lvert V\backslash S\right\rvert}=\frac{\operatorname*{\varmathbb{E}}_{v}\max_{u\in N(v)}\left\lvert\varmathbb{I}_{S}\left[u\right]-\varmathbb{I}_{S}\left[v\right]\right\rvert}{\operatorname*{\varmathbb{E}}_{u,v}\left\lvert\varmathbb{I}_{S}\left[u\right]-\varmathbb{I}_{S}\left[v\right]\right\rvert}\,.$ Note that for a degree $d$ graph, each of the terms in the numerator is maximization over the $d$ edges incident at the vertex. The formal definition of Balanced Analytic Vertex Expansion is as shown below. ###### Definition 2.1. An instance of Balanced Analytic Vertex Expansion, denoted by $(V,\mathcal{P})$, consists of a set of variables $V$ and a probability distribution $\mathcal{P}$ over $(d+1)$-tuples in $V^{d+1}$. The probability distribution $\mathcal{P}$ satisfies the condition that all its $d+1$ marginal distributions are the same (denoted by $\mu$). The goal is to solve the following optimization problem $\Phi({V,\mathcal{P}})\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\min_{F:V\to\left\\{0,1\right\\}|\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F(X)-F(Y)\right\rvert\geqslant\frac{1}{100}}\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F(Y_{i})-F(X)\right\rvert}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F(X)-F(Y)\right\rvert}$ For constant $d$, this could be thought of as a constraint satisfaction problem (CSP) of arity $d+1$. Every $d$-regular graph $G$ has an associated instance of Balanced Analytic Vertex Expansion whose value corresponds to the vertex expansion of $G$. Conversly, we exhibit a reduction from Balanced Analytic Vertex Expansion to problem of approximating vertex expansion in a graph of degree $\operatorname{{\sf poly}}(d)$ (Section 7 for details). #### Dictatorship Testing Gadget As with most hardness results obtained via the label cover or the unique games problem, central to our reduction is an appropriate dictatorship testing gadget. Simply put, a dictatorship testing gadget for Balanced Analytic Vertex Expansion is an instance $\mathcal{H}^{R}$ of the problem such that, on one hand there exists the so-called dictator assignments with value $\varepsilon$, while every assignment far from every dictator incurs a cost of at least $\Omega(\sqrt{\varepsilon\log d})$. The construction of the dictatorship testing gadget is as follows. Let $H$ be a Markov chain on vertices $\\{s,t,t^{\prime},s^{\prime}\\}$ connected to form a path of length three. The transition probabilities of the Markov chain $\mathcal{H}$ are so chosen to ensure that if $\mu_{H}$ is the stationary distribution of $H$ then $\mu_{H}(t)=\mu_{H}(t^{\prime})=\varepsilon/2$ and $\mu_{H}(s)=\mu_{H}(s^{\prime})=(1-\varepsilon)/2$. In particular, $H$ has a vertex separator $\\{t,t^{\prime}\\}$ whose weight under the stationary distribution is only $\varepsilon$. The dictatorship testing gadget is over the product Markov chain $H^{R}$ for some large constant $R$. The constraints $\mathcal{P}$ of the dictatorship testing gadget $H^{R}$ are given by the following sampling procedure, * – Sample $x\in H^{R}$ from the stationary distribution of the chain. * – Sample $d$-neighbours $y_{1},\ldots,y_{d}\in H^{R}$ of $x$ independently from the transition probabilities of the chain $H^{R}$. Output the tuple $(x,y_{1},\ldots,y_{d})$. For every $i\in[R]$, the $i^{th}$ dictator solution to the above described gadget is given by the following function, $F(x)=\begin{cases}1&\text{ if }x_{i}\in\\{s,t\\}\\\ 0&\text{ otherwise}\end{cases}$ It is easy to see that for each constraint $(x,y_{1},\ldots,y_{d})\sim\mathcal{P}$, $\max_{j}\left\lvert F(x)-F(y_{j})\right\rvert=0$ unless $x_{i}=t$ or $x_{i}=t^{\prime}$. Since $x$ is sampled from the stationary distribution for $\mu_{H}$, $x_{i}\in\\{t,t^{\prime}\\}$ happens with probability $\varepsilon$. Therefore the expected cost incurred by the $i^{th}$ dictator assignment is at most $\varepsilon$. #### Soundness Analysis of the Gadget The soundness property desired of the dictatorship testing gadget can be stated in terms of influences. Specifically, given an assignment $F:V(H)^{R}\to[0,1]$, the influence of the $i^{th}$ coordinate is given by $\operatorname{{\sf Inf}}_{i}[F]=\operatorname*{\varmathbb{E}}_{x_{[R]\backslash i}}\mathsf{Var}_{x_{i}}[F(x)]$, i.e., the expected variance of the function after fixing all but the $i^{th}$ coordinate randomly. Henceforth, we will refer to a function $F:H^{R}\to[0,1]$ as far from every dictator if the influence of all of its coordinates are small (say $<\tau$). We show that the dictatorship testing gadget $H^{R}$ described above satisfies the following soundness – for every function $F$ that is far from every dictator, the cost of $F$ is at least $\Omega(\sqrt{\varepsilon\log d})$. To this end, we appeal to the invariance principle to translate the cost incurred to a corresponding isoperimetric problem on the Gaussian space. More precisely, given a function $F:H^{R}\to[0,1]$, we express it as a polynomial in the eigenfunctions over $H$. We carefully construct a Gaussian ensemble with the same moments up to order two, as the eigenfunctions at the query points $(x,y_{1},\ldots,y_{d})\in\mathcal{P}$. By appealing to the invariance principle for low degree polynomials, this translates in to the following isoperimetric question over Gaussian space $\mathcal{G}$., Suppose we have a subset $S\subseteq\mathcal{G}$ of the $n$-dimensional Gaussian space. Consider the following experiment: * – Sample a point $z\in\mathcal{G}$ the Gaussian space. * – Pick $d$ independent perturbations $z^{\prime}_{1},z^{\prime}_{2},\ldots,z^{\prime}_{d}$ of the point $z$ by $\varepsilon$-noise. * – Output $1$ if at least one of the edges $(z,z^{\prime}_{i})$ crosses the cut $(S,\bar{S})$ of the Gaussian space. Among all subsets $S$ of the Gaussian space with a given volume, which set has the least expected output in the above experiment? The answer to this isoperimetric question corresponds to the soundness of the dictatorship test. A halfspace of volume $\frac{1}{2}$ has an expected output of $\sqrt{\varepsilon\log d}$ in the above experiment. We show that among all subsets of constant volume, halfspaces acheive the least expected output value. This isoperimetric theorem proven in Section 4 yields the desired $\Omega(\sqrt{\varepsilon\log d})$ bound for the soundness of the dictatorship test constructed via the Markov chain $H$. Here the noise rate of $\varepsilon$ arises from the fact that all the eigenfunctions of the Markov chain $H$ have an eigenvalue smaller than $1-\varepsilon$. The details of the argument based on invariance principle is presented in Section 5 We show a $\Omega(\sqrt{\varepsilon\log d})$ lower bound for the isoperimetric problem on the Gaussian space. The proof of this isoperimetric inequality is included in Section 4 We would like to point out here that the traditional noisy cube gadget does not suffice for our application. This is because in the noisy cube gadget while the dictator solutions have an edge expansion of $\varepsilon$ they have a vertex expansion of $\varepsilon d$, yielding a much worse value than the soundness. #### Reduction from Small-Set Expansion problem Gadget reductions from the Unique Games problem cannot be used towards proving a hardness result for edge or vertex expansion problems. This is because if the underlying instance of Unique Games has a small vertex separator, then the graph produced via a gadget reduction would also have small vertex expansion. Therefore, we appeal to a reduction from the Small-Set Expansion problem (Section 6 for details). Raghavendra et al. [RST12] show optimal inapproximability results for the Balanced separator problem using a reduction from the Small-Set Expansion problem. While the overall approach of our reduction is similar to theirs, the details are subtle. Unlike hardness reductions from unique games, the reductions for expansion-type problems starting from Small-Set Expansion are not very well understood. For instance, the work of Raghavendra and Tan [RT12] gives a dictatorship testing gadget for the Max-Bisection problem, but a Small-Set Expansion based hardness for Max-Bisection still remains open. ### 2.1 Notation We use $\mu_{G}$ to denote a probability distribution on vertices of the graph $G$. We drop the subscript $G$, when the graph is clear from the context. For a set of vertices $S$, we define $\mu(S)=\int_{x\in S}\mu(x)$. We use $\mu_{|S}$ to denote the distribution $\mu$ restricted to the set $S\subset V(G)$. For the sake of simplicity, we sometimes say that vertex $v\in V(G)$ has weight $w(v)$, in which case we define $\mu(v)=w(v)/\sum_{u\in V}w(u)$. We denote the weight of a set $S\subseteq V$ by $w(S)$. We denote the degree of a vertex $v$ by $\deg(v)$. We denote the neighborhood of $S$ in $G$ by $N_{G}(S)$, i.e. $N_{G}(S)=\\{v\in\bar{S}|\exists u\in S\textrm{ such that }\left\\{u,v\right\\}\in E(G)\\}\,.$ We drop the subscript $G$ when the graph is clear from the context. ### 2.2 Organization We begin with some definitions and the statements of the SSEhypotheses in Section 3. In Section A, we show that the computation of vertex expansion and symmetric vertex expansion is equivalent upto constant factors. We prove a new Gaussian isoperimetry results in Section 4 that we use in our soundness analysis. In Section 5 we show the construction of our main gadget and analyze its soundness and completeness using Balanced Analytic Vertex Expansion as the test function. We show a reduction from a reduction from Balanced Analytic Vertex Expansion to vertex expansion in Section 7. In Section 6, we use this gadget to show a reduction SSE to Balanced Analytic Vertex Expansion. Finally, in Section 8, we show how to put all the reductions togethor to get optimal SSE-hardness for vertex expansion. Complimenting our lower bound, we give an algorithm that outputs a set having vertex expansion at most $\mathcal{O}\left(\sqrt{\phi^{\sf V}\log d}\right)$ in Section 9. ## 3 Preliminaries #### Symmetric Vertex Expansion For our proofs, the notion of Symmetric Vertex Expansion is useful. ###### Definition 3.1. Given a graph $G=(V,E)$, we define the the symmetric vertex expansion of a set $S\subset V$ as follows. $\Phi^{\sf V}_{G}(S)\stackrel{{\scriptstyle\mathrm{def}}}{{=}}n\cdot\frac{\left\lvert N_{G}(S)\cup N_{G}(V\backslash S)\right\rvert}{\left\lvert S\right\rvert\left\lvert V\backslash{S}\right\rvert}$ #### Balanced Vertex Expansion We define the balanced vertex expansion of a graph as follows. ###### Definition 3.2. Given a graph $G$ and balance parameter $b$, we define the $b$-balanced vertex expansion of $G$ as follows. $\phi^{\sf V,bal}_{b}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\min_{S:\left\lvert S\right\rvert\left\lvert V\backslash S\right\rvert\geqslant bn^{2}}\phi^{\sf V}(S).$ and $\Phi^{\sf V,bal}_{b}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\min_{S:\left\lvert S\right\rvert\left\lvert V\backslash S\right\rvert\geqslant bn^{2}}\Phi^{\sf V}(S).$ We define $\phi^{\sf V,bal}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\phi^{\sf V,bal}_{1/100}$ and $\Phi^{\sf V,bal}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\Phi^{\sf V,bal}_{1/100}$. #### Analytic Vertex Expansion Our reduction from SSE to vertex expansion goes via an intermediate problem that we call $d$-Balanced Analytic Vertex Expansion. We define the notion of $d$-Balanced Analytic Vertex Expansion as follows. ###### Definition 3.3. An instance of $d$-Balanced Analytic Vertex Expansion, denoted by $(V,\mathcal{P})$, consists of a set of variables $V$ and a probability distribution $\mathcal{P}$ over $(d+1)$-tuples in $V^{d+1}$. The probability distribution $\mathcal{P}$ satisfies the condition that all its $d+1$ marginal distributions are the same (denoted by $\mu$). The $d$-Balanced Analytic Vertex Expansion under a function $F:V\to\left\\{0,1\right\\}$ is defined as $\Phi({V,\mathcal{P}})(F)\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F(Y_{i})-F(X)\right\rvert}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F(X)-F(Y)\right\rvert}\,.$ The $d$-Balanced Analytic Vertex Expansion of $(V,\mathcal{P})$ is defined as $\Phi({V,\mathcal{P}})\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\min_{F:V\to\left\\{0,1\right\\}|\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F(X)-F(Y)\right\rvert\geqslant\frac{1}{100}}\Phi({V,\mathcal{P}})(F).$ When drop the degree $d$ from the notation, when it is clear from the context. For an instance $(V,\mathcal{P})$ of Balanced Analytic Vertex Expansion and an assignment $F:V\to\left\\{0,1\right\\}$ define $\operatorname{val}_{\mathcal{P}}(F)=\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F(Y_{i})-F(X)\right\rvert.$ #### Gaussian Graph Recall that two standard normal random variables $X,Y$ are said to be $\alpha$-correlated if there exists an independent standard normal random variable $Z$ such that $Y=\alpha X+\sqrt{1-\alpha^{2}}Z$. ###### Definition 3.4. The Gaussian Graph $\mathcal{G}_{\Lambda,\Sigma}$ is a complete weighted graph on the vertex set $V(\mathcal{G}_{\Lambda,\Sigma})=\varmathbb R^{n}$. The weight of the edge between two vertices $u,v\in V(\mathcal{G}_{\Lambda,\Sigma})$ is given by $w(\left\\{u,v\right\\})=\operatorname*{\varmathbb{P}}\left[X=u\textrm{ and }Y=v\right]$ where $Y\sim\mathcal{N}(\Lambda X,\Sigma)$, where $\Lambda$ is a diagonal matrix such that $\left\lVert\Lambda\right\rVert\leqslant 1$ and $\Sigma\succeq\varepsilon I$ is a diagonal matrix. ###### Remark 3.5. Note that for any two non-empty disjoint sets $S_{1},S_{2}\subset V(\mathcal{G}_{\Lambda,\Sigma})$, the total weight of the edges between $S_{1}$ and $S_{2}$ can be non-zero even though every single edge in the $\mathcal{G}_{\Lambda,\Sigma}$ has weight zero. ###### Definition 3.6. We say that a family of graphs $\mathcal{G}_{d}$ is $\Theta(d)$-regular, if there exist absolute constants $c_{1},c_{2}\in\varmathbb R^{+}$ such that for every $G\in\mathcal{G}_{d}$, all vertices $i\in V(G)$ have $c_{1}d\leqslant\deg(i)\leqslant c_{2}d$. We now formalize our notion of hardness. ###### Definition 3.7. A constrained minimization problem $\mathcal{A}$ with its optimal value denoted by $\operatorname{val}(\mathcal{A})$ is said to be c-vs-s hard if it is SSE-hard to distinguish between the following two cases. Yes: $\operatorname{val}(\mathcal{A})\leqslant c\,.$ No: $\operatorname{val}(\mathcal{A})\geqslant s\,.$ #### Variance For a random variable $X$, define the variance and $\ell_{1}$-variance as follows, $\mathsf{Var}[X]=\operatorname*{\varmathbb{E}}_{X_{1},X_{2}}[(X_{1}-X_{2})^{2}]\qquad\mathsf{Var}_{1}[X]=\operatorname*{\varmathbb{E}}_{X_{1},X_{2}}[|X_{1}-X_{2}|]$ where $X_{1},X_{2}$ are two independent samples of $X$. #### Small-Set Expansion Hypothesis ###### Problem 3.8 (Small-Set Expansion $(\gamma,\delta)$). Given a regular graph $G=(V,E)$, distinguish between the following two cases: Yes: There exists a non-expanding set $S\subset V$ with $\mu(S)=\delta$ and $\Phi_{G}(S)\leqslant\gamma$. No: All sets $S\subset V$ with $\mu(S)=\delta$ are highly expanding having $\Phi_{G}(S)\geqslant 1-\gamma$. ###### Hypothesis 3.9 (Hardness of approximating Small-Set Expansion). For all $\gamma>0$, there exists $\delta>0$ such that the promise problem Small-Set Expansion ($\gamma,\delta$) is NP-hard. For the proofs, it shall be more convenient to use the following version of the Small-Set Expansion problem, in which we high expansion is guaranteed not only for sets of measure $\delta$, but also within an arbitrary multiplicative factor of $\delta$. ###### Problem 3.10 (Small-Set Expansion $(\gamma,\delta,M)$). Given a regular graph $G=(V,E)$, distinguish between the following two cases: Yes: There exists a non-expanding set $S\subset V$ with $\mu(S)=\delta$ and $\Phi_{G}(S)\leqslant\gamma$. No: All sets $S\subset V$ with $\mu(S)\in\left(\tfrac{\delta}{M},M\delta\right)$ have $\Phi_{G}(S)\geqslant 1-\gamma$. The following stronger hypothesis was shown to be equivalent to Small-Set Expansion Hypothesis in [RST12]. ###### Hypothesis 3.11 (Hardness of approximating Small-Set Expansion). For all $\gamma>0$ and $M\geqslant 1$, there exists $\delta>0$ such that the promise problem Small-Set Expansion ($\gamma,\delta,M$) is NP-hard. ## 4 Isoperimetry of the Gaussian Graph In this section we bound the Balanced Analytic Vertex Expansion of the Gaussian graph. For the Gaussian Graph, we define the canonical probability distribution on $V^{d+1}$ as follows. The marginal distribution along any component $X$ or $Y_{i}$ is the standard Gaussian distribution in $\varmathbb R^{n}$, denoted here by $\mu=\mathcal{N}(0,1)^{n}$. $\mathcal{P}_{\mathcal{G}_{\Lambda,\Sigma}}(X,Y_{1},\ldots,Y_{d})=\frac{\Pi_{i=1}^{d}w(X,Y_{i})}{\mu(X)^{d-1}}=\mu(X)\Pi_{i=1}^{d}\operatorname*{\varmathbb{P}}\left[Y=Y_{i}\right].$ Here, random variable $Y$ is sampled from $\mathcal{N}(\Lambda X,\Sigma)$. ###### Theorem 4.1. For any closed set $S\subset ofV(\mathcal{G}_{\Lambda,\Sigma})$ with $\Lambda$ a diagonal matrix satisfying $\left\lVert\Lambda\right\rVert\leqslant 1$, and $\Sigma$ a diagonal matrix satisfying $\Sigma\succeq\varepsilon I$, we have $\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{\mathcal{G}_{\Lambda,\Sigma}}}\max_{i}\left\lvert\varmathbb{I}_{S}\left[X\right]-\varmathbb{I}_{S}\left[Y_{i}\right]\right\rvert}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert\varmathbb{I}_{S}\left[X\right]-\varmathbb{I}_{S}\left[Y\right]\right\rvert}=\frac{\operatorname*{\varmathbb{E}}_{X\sim\mu}\operatorname*{\varmathbb{E}}_{Y_{1},\ldots Y_{d}\sim\mathcal{N}(\Lambda X,\Sigma)}\max_{i}\left\lvert\varmathbb{I}_{S}\left[X\right]-\varmathbb{I}_{S}\left[Y_{i}\right]\right\rvert}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert\varmathbb{I}_{S}\left[X\right]-\varmathbb{I}_{S}\left[Y\right]\right\rvert}\geqslant c\sqrt{\varepsilon\log d}$ for some absolute constant $c$. ###### Lemma 4.2. Let $u,v\in\varmathbb R^{n}$ satisfy $\left\lvert u-v\right\rvert\leqslant\sqrt{\varepsilon\log d}$. Let $\Lambda$ be a diagonal matrix satisfying $\left\lVert\Lambda\right\rVert\leqslant 1$, and let $\Sigma$ a diagonal matrix satisfying $\Sigma\succeq\varepsilon I$. Let $P_{u},P_{v}$ be the distributions $\mathcal{N}(\Lambda u,\Sigma)$ and $\mathcal{N}(\Lambda v,\Sigma)$ respectively. Then, $d_{\sf TV}(P_{u},P_{v})\leqslant 1-\frac{1}{d}.$ ###### Proof. First, we note that that for the purpose of estimating their total variation distance, we can view $P_{u},P_{v}$ as one-dimensional Gaussians along the line $\Lambda u-\Lambda v$. Since $\left\lVert\Lambda\right\rVert\leqslant 1$, $\left\lVert\Lambda u-\Lambda v\right\rVert\leqslant\left\lVert u-v\right\rVert\leqslant\sqrt{\varepsilon\log d}\,.$ Wlog, we may take $\Lambda u=0$ and $\Lambda v=\sqrt{\varepsilon\log d}$. Next, by the definition of total variation distance, $\displaystyle d_{\sf TV}(P_{u},P_{v})$ $\displaystyle=$ $\displaystyle\int_{x:P_{v}(x)\geqslant P_{u}(x)}|P_{v}(x)-P_{u}(x)|dx$ $\displaystyle=$ $\displaystyle\int_{\Lambda v/2}^{\infty}(P_{v}(x)-P_{u}(x))dx$ $\displaystyle=$ $\displaystyle\frac{1}{\sqrt{2\pi\varepsilon}}\int_{\Lambda v/2}^{\infty}e^{-\frac{\|x-\Lambda v\|^{2}}{2\varepsilon}}\,dx-\frac{1}{\sqrt{2\pi\varepsilon}}\int_{\Lambda v/2}^{\infty}e^{-\frac{\|x\|^{2}}{2\varepsilon}}\,dx$ $\displaystyle=$ $\displaystyle\frac{1}{\sqrt{2\pi\varepsilon}}\int_{-\Lambda v/2}^{\Lambda v/2}e^{-\frac{\|x\|^{2}}{2\varepsilon}}\,dx$ $\displaystyle=$ $\displaystyle\frac{1}{\sqrt{2\pi}}\int_{-\sqrt{\log d}/2}^{\sqrt{\log d}/2}e^{-\frac{\|x\|^{2}}{2}}\,dx$ $\displaystyle=$ $\displaystyle 1-2\cdot\frac{1}{\sqrt{2\pi}}\int_{\sqrt{\log d}/2}^{\infty}e^{-\frac{\|x\|^{2}}{2}}\,dx$ $\displaystyle<$ $\displaystyle 1-\frac{1}{d}.$ where the last step uses a standard bound on the Gaussian tail. ∎ ###### Proof of Theorem 4.1.. Let $\mu_{X}$ denote the Gaussian distribution $\mathcal{N}(\Lambda X,\Sigma)$. Then the LHS is: $\int_{\varmathbb R^{n}\setminus S}\left(1-(1-\mu_{X}(S))^{d}\right)\,d\mu(X)+\int_{S}\left(1-(1-\mu_{X}(\varmathbb R^{n}\setminus S))^{d}\right)\,d\mu(X).$ To bound this, we will restrict ourselves to points $X$ for which the $\mu_{X}$ measure of the complementary set is at least $1/d$. Roughly speaking, these will be points near the boundary of $S$. Define: $S_{1}=\left\\{x\in S\,:\,\mu_{X}(\varmathbb R^{n}\setminus S)<\frac{1}{2d}\right\\},\ S_{2}=\left\\{x\in\varmathbb R^{n}\setminus S\,:\,\mu_{X}(S)<\frac{1}{2d}\right\\}$ and $S_{3}=\varmathbb R^{n}\setminus S_{1}\setminus S_{2}.$ For $u\in\varmathbb R^{n}$, let $P_{u}$ be the distribution $\mathcal{N}(\Lambda u,\Sigma)$. For any $u\in S_{1},v\in S_{2}$, we have $d_{\sf TV}(P_{u},P_{v})>1-\frac{1}{2d}-\frac{1}{2d}=1-\frac{1}{d}.$ Therefore, by Lemma 4.2, $\|u-v\|>\sqrt{\varepsilon\log d}$, i.e., $d(S_{1},S_{2})>\sqrt{\varepsilon\log d}$. Next we bound the measure of $S_{3}$. We can assume wlog that $\mu(S)\leqslant\mu(\varmathbb R^{n}\setminus S)$ and $\mu(S_{1})\geqslant\mu(S)/2$ (else $\mu(S_{3})\geqslant\mu(S)/2$ and we are done). Applying the isoperimetric inequaity for Gaussian space [Bor75, ST78], for subsets at this distance, $\mu(S_{3})\geqslant\sqrt{\frac{2}{\pi}}\sqrt{\varepsilon\log d}\cdot\mu(S_{1})\mu(S_{2})\geqslant\sqrt{\frac{\varepsilon\log d}{2\pi}}\cdot\mu(S)\mu(\varmathbb R^{n}\setminus S).$ We are now ready to complete the proof. $\displaystyle\frac{1}{2}\left(\int_{\varmathbb R^{n}\setminus S}(1-(1-\mu_{X}(S))^{d})\,d\mu(X)+\int_{S}(1-(1-\mu_{X}(\varmathbb R^{n}\setminus S))\,d\mu(X)\right)$ $\displaystyle\geqslant$ $\displaystyle\frac{1}{2}\left(\int_{X\in\varmathbb R^{n}\setminus S,\mu_{X}(S)\geqslant 1/d}(1-(1-\mu_{X}(S))^{d})\,d\mu(X)+\int_{X\in S,\mu_{X}(\varmathbb R^{n}\setminus S)\geqslant 1/d}(1-(1-\mu_{X}(\varmathbb R^{n}\setminus S))\,d\mu(X)\right)$ $\displaystyle\geqslant$ $\displaystyle\frac{e-1}{2e}\left(\int_{X\in\varmathbb R^{n}\setminus S,\mu_{X}(S)\geqslant 1/d}\,d\mu(X)+\int_{X\in S,\mu_{X}(\varmathbb R^{n}\setminus X)\geqslant 1/d}\,d\mu(X)\right)$ $\displaystyle\geqslant$ $\displaystyle\frac{e-1}{2e}\mu(S_{3})$ $\displaystyle\geqslant$ $\displaystyle c\sqrt{\varepsilon\log d}\cdot\mu(S)\mu(\varmathbb R^{n}\setminus S).$ ∎ We prove the following Theorem which helps us to bound the isoperimetry of the Gaussian graph for over all functions over the range $[0,1]$. ###### Theorem 4.3. Given an instance $(V,\mathcal{P})$ and a function $F:V\to[0,1]$, there exists a function $F^{\prime}:V\to\left\\{0,1\right\\}$, such that $\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F(X)-F(Y_{i})\right\rvert}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F(X)-F(Y)\right\rvert}\geqslant\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F^{\prime}(X)-F^{\prime}(Y_{i})\right\rvert}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F^{\prime}(X)-F^{\prime}(Y)\right\rvert}$ ###### Proof. For every $r\in[0,1]$, we define $F_{r}:V\to\left\\{0,1\right\\}$ as follows. $F_{r}(X)=\begin{cases}1&F(X)\geqslant r\\\ 0&F(X)<r\end{cases}$ Clearly, $F(X)=\int_{0}^{1}F_{r}(X)dr\,.$ Now, observe that if $F(X)-F(Y)\geqslant 0$ then $F_{r}(X)-F_{r}(Y)\geqslant 0\ \forall r\in[0,1]$ and similiarly, if $F(X)-F(Y)<0$ then $F_{r}(X)-F_{r}(Y)\leqslant 0\ \forall r\in[0,1]$. Therefore, $\left\lvert F(X)-F(Y)\right\rvert=\left\lvert\int_{0}^{1}\left(F_{r}(X)-F_{r}(Y)\right)dr\right\rvert=\int_{0}^{1}\left\lvert F_{r}(X)-F_{r}(Y)\right\rvert dr\,.$ Also, observe that if $\left\lvert F(X)-F(Y_{1})\right\rvert\geqslant\left\lvert F(Y_{i})-F(X)\right\rvert$ then $\left\lvert F_{r}(X)-F_{r}(Y_{1})\right\rvert\geqslant\left\lvert F_{r}(Y_{i})-F_{r}(X)\right\rvert\ \forall r\in[0,1]$ Therefore, $\displaystyle\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F(X)-F(Y_{i})\right\rvert}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F(X)-F(Y)\right\rvert}$ $\displaystyle=$ $\displaystyle\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\int_{0}^{1}\left\lvert F_{r}(X)-F_{r}(Y_{i})\right\rvert dr}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\int_{0}^{1}\left\lvert F_{r}(X)-F_{r}(Y)\right\rvert dr}$ $\displaystyle=$ $\displaystyle\frac{\int_{0}^{1}\left(\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F_{r}(X)-F_{r}(Y_{i})\right\rvert\right)dr}{\int_{0}^{1}\left(\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F_{r}(X)-F_{r}(Y)\right\rvert\right)dr}$ $\displaystyle\geqslant$ $\displaystyle\min_{r\in[0,1]}\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F_{r}(X)-F_{r}(Y_{i})\right\rvert}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F_{r}(X)-F_{r}(Y)\right\rvert}$ Let $r^{\prime}$ be the value of $r$ which minimizes the expression above. Taking $F^{\prime}$ to be $F_{r^{\prime}}$ finishes the proof. ∎ ###### Corollary 4.4 (Corollary to Theorem 4.1 and Theorem 4.3). Let $F:V(\mathcal{G}_{\Lambda,\Sigma})\to[0,1]$ be any function. Then, for some absolute constant $c$, $\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{\mathcal{G}_{\Lambda,\Sigma}}}\max_{i}\left\lvert F(X)-F(Y_{i})\right\rvert}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu}\left\lvert F(X)-F(Y)\right\rvert}\geqslant c\sqrt{\varepsilon\log d}\,.$ ## 5 Dictatorship Testing Gadget In this section we initiate the construction of the dictatorship testing gadget for reduction from SSE. Overall, the dictatorship testing gadget is obtained by picking an appropriately chosen constant sized Markov-chain $H$, and considering the product Markov chain $H^{R}$. Formally, given a Markov chain $H$, define an instance of Balanced Analytic Vertex Expansion with vertices as $V_{H}$ and the constraints given by the following canonical probability distribution over $V_{H}^{d+1}$. * – Sample $X\sim\mu_{H}$, the stationary distribution of the Markov chain $V_{H}$. * – Sample $Y_{1},\ldots,Y_{d}$ independently from the neighbours of $X$ in $V_{H}$ For our application, we use a specific Markov chain $H$ on four vertices. Define a Markov chain $H$ on $V_{H}=\\{s,t,t^{\prime},s^{\prime}\\}$ as follows,$p(s|s)=p(s^{\prime}|s^{\prime})=1-\frac{\varepsilon}{1-2\varepsilon}$, $p(t|s)=p(t^{\prime}|s^{\prime})=\frac{\varepsilon}{1-2\varepsilon}$, $p(s|t)=p(s^{\prime}|t^{\prime})=\frac{1}{2}$ and $p(t^{\prime}|t)=p(t|t^{\prime})=\frac{1}{2}$. It is easy to see that the stationary distribution of the Markov chain $H$ over $V_{H}$ is given by, $\mu_{H}(s)=\mu_{H}(s^{\prime})=\frac{1}{2}-\varepsilon\qquad\qquad\mu_{H}(t)=\mu_{H}(t^{\prime})=\varepsilon$ From this Markov chain, construct a dictatorship testing gadget $(V_{H}^{R},\mathcal{P}_{H}^{R})$ as described above. We begin by showing that this dictatorship testing gadget has small vertex separators corresponding to dictator functions. ###### Proposition 5.1 (Completeness). For each $i\in[R]$, the $i^{th}$-dictator set defined as $F(x)=1$ if $x_{i}\in\\{s,t\\}$ and $0$ otherwise satisfies, $\mathsf{Var}_{1}[F]=\frac{1}{2}\qquad\text{ and }\qquad\operatorname{val}_{\mathcal{P}_{H^{R}}}(F)\leqslant 2\varepsilon$ ###### Proof. Clearly, $\operatorname*{\varmathbb{E}}_{X,Y\sim\mu_{H}}\left\lvert F(X)-F(Y)\right\rvert=\frac{1}{2}$ Observe that for any choice of $(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H^{R}}$, $\max_{i}\left\lvert F(X)-F(Y_{i})\right\rvert$ is non-zero if and only if either $x_{i}=t$ or $x_{i}=t^{\prime}$. Therefore we have, $\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H}}\max_{i}\left\lvert F(X)-F(Y_{i})\right\rvert\leqslant\operatorname*{\varmathbb{P}}[x_{i}\in\\{t,t^{\prime}\\}])=2\varepsilon\,,$ which concludes the proof. ∎ ### 5.1 Soundness We will show a general soundness claim that holds for dictatorship testing gadgets $(V(H^{R}),\mathcal{P}_{H^{R}})$ constructed out of arbitrary Markov chains $H$ with a given spectral gap. Towards formally stating the soundness claim, we recall some background and notation about polynomials over the product Markov chain $H^{R}$. ### 5.2 Polynomials over $H^{R}$ In this section, we recall how functions over the product Markov chain $H^{R}$ can be written as multilinear polynomials over the eigenfunctions of $H$. Let $e_{0},e_{1},\ldots,e_{n}:V(H)\to\varmathbb R$ be an orthonormal basis of eigenvectors of $H$ and let $\lambda_{0},\ldots,\lambda_{n}$ be the corresponding eigenvalues. Here $e_{0}=1$ is the constant function whose eigenvalue $\lambda_{0}=1$. Clearly $e_{0},\ldots,e_{n}$ form an orthonormal basis for the vector space of functions from $V(H)$ to $\varmathbb R$. It is easy to see that the eigenvectors of the product chain $H^{R}$ are given by products of $e_{0},\dots,e_{n}$. Specifically, the eigenvectors of $H^{R}$ are indexed by $\sigma\in[n]^{R}$ as follows, $e_{\sigma}(x)=\prod_{i=1}^{R}e_{\sigma_{i}}(x_{i})$ Every function $f:H^{R}\to\varmathbb R$ can be written in this orthonormal basis $f(x)=\sum_{\sigma\in[n]^{R}}\hat{f}_{\sigma}e_{\sigma}(x)$. For a multi-index $\sigma\in[n]^{R}$, the function $e_{\sigma}$ is a monomial of degree $|\sigma|=|\\{i|\sigma_{i}\neq 0\\}|$. For a polynomial $Q=\sum_{\sigma}\hat{Q}_{\sigma}e_{\sigma}$, the polynomial $Q^{>p}$ denotes the projection on to degrees higher than $p$, i.e., $Q^{>p}=\sum_{\sigma,|\sigma|>p}\hat{Q}_{\sigma}e_{\sigma}$. The influences of a polynomial $Q=\sum_{\sigma}\hat{Q}_{\sigma}$ are defined as, $\operatorname{{\sf Inf}}_{i}(Q)=\sum_{\sigma:\sigma_{i}\neq 0}\hat{Q}_{\sigma}^{2}$ The above notions can be naturally extended to vectors of multilinear polynomials $Q=(Q_{0},Q_{1},\ldots,Q_{d})$. Note that every real-valued function on the vertices $V(H)$ of a Markov chain $H$ can be thought of as a random variable. For each $i>0$, the random variable $e_{i}(x)$ has mean zero and variance $1$. The same holds for all $e_{\sigma}(x)$ for all $|\sigma|\neq 0$. For a function $Q:V(H^{R})\to\varmathbb R$ (or equivalently a polynomial), $\mathsf{Var}[Q]$ denotes the variance of the random variable $Q(x)$ for a random $x$ from stationary distribution of $H^{R}$. It is an easy computation to check that this is given by, $\mathsf{Var}[Q]=\sum_{\sigma:|\sigma|\neq 0}\hat{Q}_{\sigma}^{2}$ We will make use of the following Invariance Principle due to Isaksson and Mossel [IM12]. ###### Theorem 5.2 ([IM12]). Let $X=(X_{1},\ldots,X_{n})$ be an independent sequence of ensembles, such that $\operatorname*{\varmathbb{P}}\left[X_{i}=x\right]\geqslant\alpha>0,\forall i,x$. Let $Q$ be a $d$-dimensional multilinear polynomial such that $\mathsf{Var}(Q_{j}(X))\leqslant 1$, $\mathsf{Var}(Q_{j}^{>p})\leqslant(1-\varepsilon\eta)^{2p}$ and $\operatorname{{\sf Inf}}_{i}(Q_{j})\leqslant\tau$ where $p=\frac{1}{18}\log(1/\tau)/\log(1/\alpha)$. Finally, let $\psi:\varmathbb R^{k}\to\varmathbb R$ be Lipschitz continuous. Then, $\left\lvert\operatorname*{\varmathbb{E}}\left[\psi(Q(X))\right]-\operatorname*{\varmathbb{E}}\left[\psi(Q(Z))\right]\right\rvert=\mathcal{O}\left(\tau^{\frac{\varepsilon\eta}{18}/\log\frac{1}{\alpha}}\right)$ where $Z$ is an independent sequence of Gaussian ensembles with the same covariance structure as $X$. ### 5.3 Noise Operator We define a noise operator $\Gamma_{1-\eta}$ on functions on the Markov chain $H$ as follows : $\Gamma_{1-\eta}F(X)\stackrel{{\scriptstyle\mathrm{def}}}{{=}}(1-\eta)F(X)+\eta\operatorname*{\varmathbb{E}}_{Y\sim X}F(Y)$ for every function $F:H\to\varmathbb R$. Similarly, one can define the noise operator $\Gamma_{1-\eta}$ on functions over $H^{R}$. Applying the noise operator $\Gamma_{1-\eta}$ on a function $F$, smoothens the function or makes it closer to a low-degree polynomial. This resulting function $\Gamma_{1-\eta}F$ is close to a low-degree polynomial, and therefore is amenable to applying an invariance principle. Formally, one can show the following decay of coefficients of high degree for $\Gamma_{1-\eta}F$. We defer the proof to the Appendix (Lemma C.1). ###### Lemma 5.3. (Decay of High degree Coefficients) Let $Q_{j}$ be the multi-linear polynomial representation of $\Gamma_{1-\eta}F(X)$, and let $\varepsilon$ be the spectral gap of the Markov chain $H$. Then, $\mathsf{Var}(Q_{j}^{>p})\leqslant(1-\varepsilon\eta)^{2p}$ Furthermore, on applying the noise operator $\Gamma_{1-\eta}$, the resulting function $\Gamma_{1-\eta}F$ can have a bounded number of influential coordinates as shown by the following lemma. ###### Lemma 5.4. (Sum of Influences Lemma) If the spectral gap of a Markov chain is at least $\varepsilon$ then for any function $F:V_{H}^{R}\to\varmathbb R$, $\sum_{i\in[R]}\operatorname{{\sf Inf}}_{i}(\Gamma_{1-\eta}F)\leqslant\frac{1}{\eta\varepsilon}\mathsf{Var}[F]$ ###### Proof. By suitable normalization, we may assume without loss of generality that $\mathsf{Var}[F]=1$. If $Q$ denotes the multilinear representation of $\Gamma_{1-\eta}F$, then the sum of influences can be written as, $\displaystyle\sum_{i\in[R]}\operatorname{{\sf Inf}}_{i}(\Gamma_{1-\eta}F)$ $\displaystyle\leqslant\sum_{|\sigma|\neq 0}|\sigma|\hat{Q}_{\sigma}^{2}$ $\displaystyle\leqslant\sum_{|\sigma|\neq 0}|\sigma|(1-\eta\varepsilon)^{2|\sigma|}\hat{F}_{\sigma}^{2}$ $\displaystyle\leqslant\left(\max_{k\in\varmathbb N}k(1-\eta\varepsilon)^{2k}\right)\sum_{|\sigma|\neq 0}\hat{F}_{\sigma}^{2}<\frac{1}{\eta\varepsilon}$ where we used the fact that the function $h(t)=t(1-\eta\varepsilon)^{2t}$ achieves its maximum value at $t=-\frac{1}{2}\ln(1-\eta\varepsilon)$. ∎ ### 5.4 Soundness Claim Now we are ready to formally state our soundness claim for a dictatorship test gadget constructed out of a Markov chain. ###### Proposition 5.5 (Soundness). For all $\varepsilon,\eta,\alpha,\tau>0$ the following holds. Let $H$ be a finite Markov-chain with a spectral gap of at least $\varepsilon$, and the probability of every state under stationary distribution is $\geqslant\alpha$. Let $F:V(H^{R})\to\left\\{0,1\right\\}$ be a function such that $\max_{i\in[R]}\operatorname{{\sf Inf}}_{i}(\Gamma_{1-\eta}F)\leqslant\tau$. Then we have $\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H^{R}}}[\max_{i}\left\lvert F(Y_{i})-F(X)\right\rvert]\geqslant\Omega(\sqrt{\varepsilon\log d})\operatorname*{\varmathbb{E}}_{X,Y\sim\mu_{H^{R}}}\left\lvert F(X)-F(Y)\right\rvert-O(\eta)-\tau^{\Omega(\varepsilon\eta/\log(1/\alpha))}$ For the sake of brevity, we define ${\sf soundness}(V(H^{R}),\mathcal{P}_{H^{R}})$ to be the following : ###### Definition 5.6. ${\sf soundness}(V(H^{R}),\mathcal{P}_{H^{R}})\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\min_{F:\max_{i\in[R]}\operatorname{{\sf Inf}}_{i}(F)\leqslant\tau}\frac{\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H^{R}}}[\max_{i}\left\lvert F(Y_{i})-F(X)\right\rvert]}{\operatorname*{\varmathbb{E}}_{X,Y\sim\mu_{H^{R}})}\left\lvert F(X)-F(Y)\right\rvert}$ In the rest of the section, we will present a proof of Proposition 5.5. First, we construct gaussian random variables with moments matching the eigenvectors of the chain $H$. #### Gaussian Ensembles Let $Q=(Q_{0},Q_{1},\ldots,Q_{d})$ be the multi-linear polynomial representation of the vector-valued function $\left(\Gamma_{1-\eta}F(X),\Gamma_{1-\eta}F(Y_{1}),\ldots,\Gamma_{1-\eta}F(Y_{d})\right)$. Let $E$ denote the ensemble of $nd$ random variables $(e_{0}(X),e_{1}(X),\ldots,e_{n}(X)),(e_{0}(Y_{1}),\ldots,e_{n}(Y_{1})),\ldots,(e_{0}(Y_{d}),\ldots,e_{n}(Y_{d}))$. Let $E_{1},\ldots,E_{R}$ be $R$ independent copies of the ensemble $E$. Clearly, the polynomial $Q$ can be thought of as a polynomial over $E_{1},\ldots,E_{R}$. For each random variable $x$ in $E_{1},\ldots,E_{R}$ and a value $\beta$ in its support, $\operatorname*{\varmathbb{P}}\left[x=\beta\right]$ is at least the minimum probability of a vertex in $H$ under its stationary distribution. This polynomial $Q$ satisfies the requirements of Theorem 5.2 because on the one hand, the influences of $F$ are $\leqslant\tau$ and on the other by Lemma 5.3, $\mathsf{Var}(Q^{\geqslant p})\leqslant(1-\varepsilon\eta)^{2p}$. Now we will apply the invariance principle to relate the soundness to the corresponding quantity on the gaussian graph, and then appeal to the isoperimetric result on the Gaussian graph (Theorem 4.1). The invariance principle translates the polynomial $(Q_{0}(X),Q_{1}(Y_{1}),\ldots Q_{d}(Y_{d}))$ on the sequence of independent ensembles $E_{1},\dots,E_{R}$, to a polynomial on a corresponding sequence of gaussian ensembles with the same moments up to degree two. Consider the ensemble $E$. For each $i\neq 0$, the expectation $\operatorname*{\varmathbb{E}}[e_{i}(X)]=\operatorname*{\varmathbb{E}}[e_{i}(Y_{1})=0]=\ldots\operatorname*{\varmathbb{E}}[e_{i}(Y_{d})]=0$. For each $i\neq j$, it is easy to see that, $\operatorname*{\varmathbb{E}}[e_{i}(X)e_{j}(X)]=\operatorname*{\varmathbb{E}}[e_{i}(Y_{1})e_{j}(Y_{1})]=\ldots\operatorname*{\varmathbb{E}}[e_{i}(Y_{d})e_{j}(Y_{d}]=0$. Moreover, $\operatorname*{\varmathbb{E}}[e_{i}(X)e_{j}(Y_{a})]=\operatorname*{\varmathbb{E}}[e_{i}(Y_{a})e_{j}(Y_{b})]=0$ whenever $i\neq j$ and all $a,b\in\\{1,\ldots d\\}$. The only non-trivial correlations are $\operatorname*{\varmathbb{E}}[e_{i}(X)e_{i}(Y_{a})]$ and $\operatorname*{\varmathbb{E}}[e_{i}(Y_{a})e_{i}(Y_{b})]$ for all $i\in[n]$ and $a,b\in[d]$. It is easy to check that $\operatorname*{\varmathbb{E}}[e_{i}(X)e_{i}(Y_{a})]=\lambda_{i}\qquad\qquad\operatorname*{\varmathbb{E}}[e_{i}(Y_{a})e_{i}(Y_{b})]=\lambda_{i}^{2}$ From the above discussion, we see that the following gaussian ensemble $z=(z_{X},z_{Y_{1}},\ldots,z_{Y_{d}})$ has the same covariance as the ensemble $E$. 1. 1. Sample $z_{X}$ and $n$-dimensional Gaussian random vector. 2. 2. Sample $z_{Y_{1}},\ldots,z_{Y_{d}}\in\varmathbb R^{n}$ i.i.d as follows : The $i^{th}$ coordinate of each $z_{Y_{a}}$ is sampled from $\lambda_{i}z_{X}(i)+\sqrt{1-\lambda_{i}^{2}}\xi_{a,i}$ where $\xi_{a,i}$ is a Gaussian random variable independent of $z_{X}$ and all other $\xi_{a,i}$. Let $Z_{X},Z_{Y_{1}},\ldots,Z_{Y_{d}}\in\varmathbb R^{nR}$ be the ensemble obtained by $R$ independent samples from $z_{X},z_{Y_{1}},\ldots,z_{Y_{d}}$. Let $\Sigma$ denote the $nR\times nR$ diagonal matrix whose entries are $1-\lambda^{2}_{1},\ldots,1-\lambda^{2}_{n}$ repeated $R$ times. Since the spectral gap of $H$ is $\varepsilon$, we have that $1-\lambda^{2}_{i}\geqslant 2\varepsilon-\varepsilon^{2}>\varepsilon$ for all $i\in\\{1,\ldots,n\\}$. Therefore, we have $\Sigma>\varepsilon I$. #### Proof of soundness Now we return to the proof of the main soundness claim for the dictatorship testing gadget ($V(H^{R})$, $\mathcal{P}_{\mathcal{H}^{R}}$) constructed out an arbitrary Markov chain. ###### Proof of Proposition 5.5. Let $Q=(Q_{0},Q_{1},\ldots,Q_{d})$ be the multi-linear polynomial representation of the vector-valued function $\left(\Gamma_{1-\eta}F(X),\Gamma_{1-\eta}F(Y_{1}),\ldots,\Gamma_{1-\eta}F(Y_{d})\right)$. Define a function $s:\varmathbb R\to\varmathbb R$ as follows $s(x)=\begin{cases}0&\text{ if }x<0\\\ x&\text{ if }x\in[0,1]\\\ 1&\text{ if }x>1\end{cases}$ Define a function $\Psi:\varmathbb R^{d+1}\to\varmathbb R$ as, $\Psi(x,y_{1},\ldots,y_{d})=\max_{i}|s(y_{i})-s(x)|$. Clearly, $\Psi$ is a Lipshitz function with a constant of 1. Using the fact that $F$ is bounded in $[0,1]$, $\displaystyle\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H^{R}}}\max_{a}\left\lvert F(X)-F(Y_{a})\right\rvert\geqslant\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H^{R}}}\max_{a}\left\lvert\Gamma_{1-\eta}F(X)-\Gamma_{1-\eta}F(Y_{a})\right\rvert-2\eta$ (5.1) Furthermore, since $\Gamma_{1-\eta}F$ is also bounded in $[0,1]$, we have $s(\Gamma_{1-\eta}F)=\Gamma_{1-\eta}F$. Therefore, $\displaystyle\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H^{R}}}\max_{a}\left\lvert\Gamma_{1-\eta}F(X)-\Gamma_{1-\eta}F(Y_{a})\right\rvert=\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H^{R}}}\max_{a}\left\lvert s\left(\Gamma_{1-\eta}F(X)\right)-s\left(\Gamma_{1-\eta}F(Y_{a})\right)\right\rvert$ (5.2) Apply the invariance principle to the polynomial $Q=\left(\Gamma_{1-\eta}F,\Gamma_{1-\eta}F,\ldots,\Gamma_{1-\eta}F\right)$ and Lipshitz function $\Psi$. By invariance principle Theorem 5.2, we get $\displaystyle\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H^{R}}}\max_{a}$ $\displaystyle\left\lvert s\left(\Gamma_{1-\eta}F(X)\right)-s\left(\Gamma_{1-\eta}F(Y_{a})\right)\right\rvert$ $\displaystyle\geqslant\operatorname*{\varmathbb{E}}_{(Z_{X},Z_{Y_{1}},\ldots,Z_{Y_{d}})\sim\mathcal{P}_{\mathcal{G}_{\Lambda,\Sigma}}}\max_{a}\left\lvert s\left(\Gamma_{1-\eta}F(Z_{X})\right)-s\left(\Gamma_{1-\eta}F(Z_{Y_{a}})\right)\right\rvert-\tau^{\Omega(\varepsilon\eta/\log(1/\alpha))}$ (5.3) Observe that $s\circ(\Gamma_{1-\eta}F)$ is bounded in $[0,1]$ even over the gaussian space. Hence, by using the isoperimetric result on gaussian graphs (Corollary 4.4), we know that $\displaystyle\operatorname*{\varmathbb{E}}_{(Z_{X},Z_{Y_{1}},\ldots,Z_{Y_{d}})\sim\mathcal{P}_{\mathcal{G}_{\Lambda,\Sigma}}}\max_{a}\left\lvert s\left(\Gamma_{1-\eta}F(Z_{X})\right)-s\left(\Gamma_{1-\eta}F(Z_{Y_{a}})\right)\right\rvert\geqslant c\sqrt{\varepsilon\log d}\operatorname*{\varmathbb{E}}_{Z_{X},Z_{Y}\sim\mu_{\mathcal{G}_{\Lambda,\Sigma}}}\left\lvert s\left(\Gamma_{1-\eta}F(Z_{X})\right)-s\left(\Gamma_{1-\eta}F(Z_{Y})\right)\right\rvert$ (5.4) Now we apply the invariance principle on the polynomial $(\Gamma_{1-\eta}F,\Gamma_{1-\eta}F)$ and the functional $\Psi:\varmathbb R^{2}\to\varmathbb R$ given by $\Psi(a,b)=|s(a)-s(b)|$. This yields, $\displaystyle\operatorname*{\varmathbb{E}}_{Z_{X},Z_{Y}\sim\mu_{\mathcal{G}_{\Lambda,\Sigma}}}\left\lvert s\left(\Gamma_{1-\eta}F(Z_{X})\right)-s\left(\Gamma_{1-\eta}F(Z_{Y})\right)\right\rvert$ $\displaystyle\geqslant\operatorname*{\varmathbb{E}}_{X,Y\sim\mu(H^{R})}\left\lvert s\left(\Gamma_{1-\eta}F(X)\right)-s\left(\Gamma_{1-\eta}F(Y)\right)\right\rvert-\tau^{\Omega(\varepsilon\eta/\log(1/\alpha))}$ (5.5) Over $H^{R}$, the function $\Gamma_{1-\eta}F$ is bounded in $[0,1]$, which implies that $s(\Gamma_{1-\eta}F(X))=\Gamma_{1-\eta}F(X)$ and $\Gamma_{1-\eta}F(X)\geqslant F(X)-\eta$. $\displaystyle\operatorname*{\varmathbb{E}}_{X,Y\sim\mu(H^{R})}\left\lvert s\left(\Gamma_{1-\eta}F(X)\right)-s\left(\Gamma_{1-\eta}F(Y)\right)\right\rvert$ $\displaystyle\geqslant\operatorname*{\varmathbb{E}}_{X,Y\sim\mu(H^{R})}\left\lvert F(X)-F(Y)\right\rvert-2\eta$ (5.6) From equations (5.1) to (5.6) we get, $\displaystyle\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}_{H^{R}}}\max_{a}\left\lvert F(X)-F(Y_{a})\right\rvert$ $\displaystyle\geqslant\Omega(\sqrt{\varepsilon\log d})\operatorname*{\varmathbb{E}}_{X,Y\sim\mu(H^{R})}\left\lvert F(X)-F(Y)\right\rvert-4\eta-\tau^{\Omega(\varepsilon\eta/\log(1/\alpha))}$ ∎ ## 6 Hardness Reduction from SSE In this section we will present a reduction from Small-Set Expansion problem to Balanced Analytic Vertex Expansion problem. Let $G=(V,E)$ be an instance of Small-Set Expansion $(\gamma,\delta,M)$. Starting with the instance $G=(V,E)$ of $\textsc{Small-Set Expansion}(\gamma,\delta,M)$, our reduction produces an instance $(\mathcal{V}^{\prime},\mathcal{P}^{\prime})$ of Balanced Analytic Vertex Expansion. To describe our reduction, let us fix some notation. For a set $A$, let ${A}^{\\{R\\}}$ denote the set of all multisets with $R$ elements from $A$. Let $G_{\eta}=(1-\eta)G+\eta K_{V}$ where $K_{V}$ denotes the complete graph on the set of vertices $V$. For an integer $R$, define $G_{\eta}^{\otimes R}$ to be the product graph $G_{\eta}^{\otimes R}=(G_{\eta})^{R}$. Define a Markov chain $H$ on $V_{H}=\\{s,t,t^{\prime},s^{\prime}\\}$ as follows,$p(s|s)=p(s^{\prime}|s^{\prime})=1-\frac{\varepsilon}{1-2\varepsilon}$, $p(t|s)=p(t^{\prime}|s^{\prime})=\frac{\varepsilon}{1-2\varepsilon}$, $p(s|t)=p(s^{\prime}|t^{\prime})=\frac{1}{2}$ and $p(t^{\prime}|t)=p(t|t^{\prime})=\frac{1}{2}$. It is easy to see that the stationary distribution of the Markov chain $H$ over $V_{H}$ is given by, $\mu_{H}(s)=\mu_{H}(s^{\prime})=\frac{1}{2}-\varepsilon\qquad\qquad\mu_{H}(t)=\mu_{H}(t^{\prime})=\varepsilon$ The reduction consists of two steps. First, we construct an “unfolded” instance $(\mathcal{V},\mathcal{P})$ of the Balanced Analytic Vertex Expansion, then we merge vertices of $(\mathcal{V},\mathcal{P})$ to create the final output instance $(\mathcal{V}^{\prime},\mathcal{P}^{\prime})$. The details of the reduction are presented below. Reduction Input: A graph $G=(V,E)$ \- an instance of $\textsc{Small-Set Expansion}(\gamma,\delta,M)$. Parameters: $R=\frac{1}{\delta}$, $\varepsilon$ Unfolded instance $(\mathcal{V},\mathcal{P})$ Set $\mathcal{V}=(V\times V_{H})^{R}$. The probability distribution $\mu$ on $\mathcal{V}$ is given by $(\mu_{V}\times\mu_{H})^{R}$. The probability distribution $\mathcal{P}$ is given by the following sampling procedure. 1. Sample a random vertex $A\in V^{R}$. 2. Sample $d+1$ random neighbors $B,C_{1},\ldots,C_{d}\sim G_{\eta}^{\otimes R}(A)$ of the vertex $A$ in the tensor-product graph $G_{\eta}^{\otimes R}$. 3. Sample $x\in V_{H}^{R}$ from the product distribution $\mu^{R}$. 4. Independently sample $d$ neighbours $y^{(1)},\ldots,y^{(d)}$ of $x$ in the Markov chain $H^{R}$, i.e., $y^{(i)}\sim\mu_{H}^{R}(x)$. 5. Output $\left((B,x),(C_{1},y_{1}),\ldots,(C_{d},y_{d})\right)$ Folded Instance $(\mathcal{V}^{\prime},\mathcal{P}^{\prime})$ Fix $\mathcal{V}^{\prime}=(V\times\\{s,t\\})^{\\{R\\}}$. Define a projection map $\Pi:\mathcal{V}\to\mathcal{V}^{\prime}$ as follows: $\Pi(A,x)=\\{(a_{i},x_{i})|x_{i}\in\\{s,t\\}\\}$ for each $(A,x)=\left((a_{1},x_{1}),(a_{2},x_{2}),\ldots,(a_{R},x_{R})\right)$ in $(V\times\\{s,t\\})^{\\{R\\}}$. Let $\mu^{\prime}$ be the probability distribution on $\mathcal{V}^{\prime}$ obtained by projection of probability distribution $\mu$ on $\mathcal{V}$. Similarly, the probability distribution $\mathcal{P}^{\prime}$ on $(\mathcal{V}^{\prime})^{d+1}$ by applying the projection $\Pi$ to the probability distribution $\mathcal{P}$. Observe that each of the queries $\Pi(B,x)$ and $\\{\Pi(C_{i},y_{i})\\}_{i=1}^{d}$ are distributed according to $\mu^{\prime}$ on $\mathcal{V}^{\prime}$. Let $F^{\prime}\colon\mathcal{V}^{\prime}\to\\{0,1\\}$ denote the indicator function of a subset for the instance. Let us suppose that $\operatorname*{\varmathbb{E}}_{X,Y\sim\mathcal{V}}\left[|F^{\prime}(X)-F^{\prime}(Y)|\right]\geqslant\frac{1}{10}$ For the whole reduction, we fix $\eta=\varepsilon/(100d)$. We will restrict $\gamma<\varepsilon/(100d)$. We will fix its value later. ###### Theorem 6.1. (Completeness) Suppose there exists a set $S\subset V$ such that $\operatorname{{\sf vol}}(S)=\delta$ and $\Phi(S)\leqslant\gamma$ then there exists $F^{\prime}:\mathcal{V}^{\prime}\to\\{0,1\\}$ such that, $\operatorname*{\varmathbb{E}}_{X,Y\sim\mathcal{V}^{\prime}}\left[|F^{\prime}(X)-F^{\prime}(Y)|\right]\geqslant\frac{1}{10}$ and, $\operatorname*{\varmathbb{E}}_{X,Y_{1},\ldots,Y_{d}\sim\mathcal{P}}\left[\max_{i}|F^{\prime}(X)-F^{\prime}(Y_{i})|\right]\leqslant 2\varepsilon+\mathcal{O}\left(d(\eta+\gamma)\right)\leqslant 4\varepsilon$ ###### Proof. Define $F:\mathcal{V}\to\\{0,1\\}$ as follows: $F(A,x)=\begin{cases}1&\text{ if }|\Pi(A,x)\cap(S\times\\{s,t\\})|=1\\\ 0&\text{ otherwise}\end{cases}$ Observe that by definition of $F$, the value of $F(A,x)$ only depends on $\Pi(A,x)$. So the function $F$ naturally defines a map $F^{\prime}:\mathcal{V}^{\prime}\to\\{0,1\\}$. Therefore we can write, $\displaystyle\operatorname*{\varmathbb{P}}\left[F(A,x)=1\right]$ $\displaystyle=\sum_{i\in[R]}\operatorname*{\varmathbb{P}}\left[x_{i}\in\\{s,t\\}\right]\operatorname*{\varmathbb{P}}\left[\\{a_{1},\ldots,a_{R}\\}\cap S=\\{a_{i}\\}|x_{i}\in\\{s,t\\}\right]$ $\displaystyle\geqslant R\cdot\frac{1}{2}\cdot\frac{1}{R}\cdot\left(1-\frac{1}{R}\right)^{R-1}\geqslant\frac{1}{10}$ and, $\operatorname*{\varmathbb{P}}\left[F(A,x)=1\right]=\operatorname*{\varmathbb{P}}\left[|\Pi(A,x)\cap(S\times\\{s,t\\})|=1\right]\leqslant\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}\left[|\Pi(A,x)\cap(S\times\\{s,t\\})|\right]=R\cdot\frac{1}{2}\cdot\frac{|S|}{|V|}\leqslant\frac{1}{2}$ The above bounds on $\operatorname*{\varmathbb{P}}\left[F(A,x)=1\right]$ along with the fact that $F$ takes values only in $\\{0,1\\}$, we get that $\operatorname*{\varmathbb{E}}_{X,Y\sim\mathcal{V}^{\prime}}\left\lvert F^{\prime}(X)-F^{\prime}(Y)\right\rvert=\operatorname*{\varmathbb{E}}_{(A,x),(B,y)\sim\mathcal{V}}{|F(A,x)-F(B,y)|}\geqslant\frac{1}{10}$ Suppose we sample $A\in V^{R}$ and $B,C_{1},\ldots,C_{d}$ independently from $G_{\eta}^{\otimes R}(A)$. Let us denote $A=(a_{1},\ldots,a_{R})$, $B=(b_{1},\ldots,b_{R})$, $C_{i}=(c_{i1},\ldots,c_{iR})$ for all $i\in[d]$. Note that, $\displaystyle\operatorname*{\varmathbb{P}}\left[\exists i\in[R]\text{ such that }\left\lvert\\{a_{i},b_{i}\\}\cap S\right\rvert=1\right]$ $\displaystyle\leqslant\sum_{i\in[R]}(1-\eta)\operatorname*{\varmathbb{P}}\left[(a_{i},b_{i})\in E[S,\bar{S}]\right]+\eta\operatorname*{\varmathbb{P}}\left[(a_{i},b_{i})\in S\times\bar{S}\right]$ $\displaystyle\leqslant R(\operatorname{{\sf vol}}(S)\Phi(S)+2\eta\operatorname{{\sf vol}}(S))\leqslant 2(\gamma+\eta)\,.$ Similarly, for each $j\in[d]$, $\operatorname*{\varmathbb{P}}\left[\exists i\in[R]||\\{a_{i},c_{ji}\\}\cap S|=1\right]\leqslant\sum_{i\in[R]}\operatorname*{\varmathbb{P}}\left[(a_{i},c_{ji})\in E[S,\bar{S}]\right]\leqslant R\operatorname{{\sf vol}}(S)\Phi(S)\leqslant 2(\gamma+\eta)\,.$ By a union bound, with probability at least $1-2(d+1)(\gamma+\eta)$ we have that none of the edges $\\{(a_{i},b_{i})\\}_{i\in[R]}$ and $\\{(a_{i},c_{ji})\\}_{j\in[d],i\in[R]}$ cross the cut $(S,\bar{S})$. Conditioned on the above event, we claim that if $(B,x)\cap\left(S\times\\{t,t^{\prime}\\}\right)=\emptyset$ then $\max_{i}|F(B,x)-F(C_{i},y_{i})|=0$. First, if $(B,x)\cap\left(S\times\\{t,t^{\prime}\\}\right)=\emptyset$ then for each $b_{i}\in S$ the corresponding $x_{i}\in\\{s,s^{\prime}\\}$. In particular, this implies that for each $b_{i}\in S$, either all of the pairs $(b_{i},x_{i}),\\{(c_{ji},y_{ji})\\}_{j\in[d]}$ are either in $S\times\\{s,t\\}$ or $S\times\\{s^{\prime},t^{\prime}\\}$, thereby ensuring that $\max_{i}|F(B,x)-F(C_{i},y_{i})|=0$. From the above discussion we conclude, $\displaystyle\operatorname*{\varmathbb{E}}_{(B,x),(C_{1},y_{1}),\ldots,(C_{d},y_{d})\sim\mathcal{P}}\left[\max_{i}|F(B,x)-F(C_{i},y_{i})|\right]$ $\displaystyle\leqslant\operatorname*{\varmathbb{P}}\left[|(B,x)\cap\left(S\times\\{t,t^{\prime}\\}\right)|\geqslant 1\right]+2(d+1)(\gamma+\eta)$ $\displaystyle\leqslant\operatorname*{\varmathbb{E}}\left[|(B,x)\cap\left(S\times\\{t,t^{\prime}\\}\right)|\right]+2(d+1)(\gamma+\eta)$ $\displaystyle=R\cdot\operatorname{{\sf vol}}(S)\cdot\varepsilon+2(d+1)(\gamma+\eta)=\varepsilon+2(d+1)(\gamma+\eta)$ ∎ Let $F^{\prime}:\mathcal{V}^{\prime}\to\\{0,1\\}$ be a subset of the instance $(\mathcal{V}^{\prime},\mathcal{P}^{\prime})$. Let us define the following notation. $\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}^{\prime}}\left[\max_{i\in[d]}\left\lvert F^{\prime}(X)-F^{\prime}(Y_{i})\right\rvert\right]\qquad\mathsf{Var}_{1}[F^{\prime}]\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\operatorname*{\varmathbb{E}}_{X,Y\sim\mathcal{V}^{\prime}}\left\lvert F^{\prime}(X)-F^{\prime}(Y)\right\rvert$ We define the functions $F:\mathcal{V}\to[0,1]$ and $f_{A},g_{A}:V_{H}^{R}\to[0,1]$ for each $A\in V^{R}$ as follows. $F(A,x)\stackrel{{\scriptstyle\mathrm{def}}}{{=}}F^{\prime}(\Pi(A,x))\qquad f_{A}(x)\stackrel{{\scriptstyle\mathrm{def}}}{{=}}F(A,x)\qquad\qquad g_{A}(x)\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\operatorname*{\varmathbb{E}}_{B\sim G_{\eta}^{\otimes R}(A)}F(B,x)$ ###### Lemma 6.2. $\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})\geqslant\operatorname*{\varmathbb{E}}_{A\in V^{R}}\operatorname{val}_{\mu_{H}^{R}}(g_{A})$ ###### Proof. $\displaystyle\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})$ $\displaystyle=\operatorname{val}_{\mathcal{P}}(F)$ $\displaystyle=\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{y_{1},\ldots,y_{d}\sim\mu^{R}_{H}(x)}\operatorname*{\varmathbb{E}}_{B,C_{1},\ldots,C_{d}\sim G_{\gamma}^{\otimes R}(A)}\max_{i}\left\lvert F(B,x)-F(C_{i},y_{i})\right\rvert$ $\displaystyle\geqslant\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{y_{1},\ldots,y_{d}\sim\mu^{R}_{H}(x)}\max_{i}\left\lvert\operatorname*{\varmathbb{E}}_{B\sim G_{\gamma}^{\otimes R}(A)}F(B,x)-\operatorname*{\varmathbb{E}}_{C_{i}\sim G_{\gamma}^{\otimes R}(A)}F(C_{i},y_{i})\right\rvert$ $\displaystyle\geqslant\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{y_{1},\ldots,y_{d}\sim\mu^{R}_{H}(x)}\max_{i}\left\lvert g_{A}(x)-g_{A}(y_{i})\right\rvert$ $\displaystyle=\operatorname*{\varmathbb{E}}_{A\in V^{R}}\operatorname{val}_{\mu_{H}^{R}}(g_{A})$ ∎ ###### Lemma 6.3. $\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}g_{A}(x)^{2}\geqslant\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}F^{2}(A,x)-\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})$ ###### Proof. $\displaystyle\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}g_{A}(x)^{2}$ $\displaystyle=\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{B,C\sim G_{\eta}^{\otimes R}(A)}F(B,x)F(C,x)$ $\displaystyle=\frac{1}{2}\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{B,C\sim G_{\eta}^{\otimes R}(A)}F^{2}(B,x)+F^{2}(C,x)-(F(B,x)-F(C,x))^{2}$ $\displaystyle=\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}F^{2}(A,x)-\frac{1}{2}\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{B,C\sim G_{\eta}^{\otimes R}(A)}(F(B,x)-F(C,x))^{2}$ (6.1) where in the last step we used the fact that $B,C$ have the same distribution as $A\sim V^{R}$. Since the function $F$ is bounded in $[0,1]$, we have $\displaystyle\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{B,C\sim G_{\eta}^{\otimes R}(A)}(F(B,x)-F(C,x))^{2}$ $\displaystyle\leqslant\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{B,C\sim G_{\eta}^{\otimes R}(A)}\left\lvert F(B,x)-F(C,x)\right\rvert$ (6.2) $\displaystyle\operatorname*{\varmathbb{E}}_{A\sim V^{R}}$ $\displaystyle\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{B,C\sim G_{\eta}^{\otimes R}(A)}\left\lvert F(B,x)-F(C,x)\right\rvert$ $\displaystyle\leqslant\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{y\sim\mu^{R}_{H}(x)}\operatorname*{\varmathbb{E}}_{B,C,D\sim G_{\eta}^{\otimes R}(A)}\left\lvert F(B,x)-F(D,y)\right\rvert+\left\lvert F(C,x)-F(D,y)\right\rvert$ $\displaystyle=2\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{y\sim\mu^{R}_{H}(x)}\operatorname*{\varmathbb{E}}_{B,D\sim G_{\eta}^{\otimes R}(A)}\left\lvert F(B,x)-F(D,y)\right\rvert\quad\text{(because (B,D), (C,D) \text{ have same distribution} )}$ $\displaystyle\leqslant 2\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\sim\mu_{H}^{R}}\operatorname*{\varmathbb{E}}_{y_{1},\ldots,y_{d}\sim\mu^{R}_{H}(x)}\operatorname*{\varmathbb{E}}_{B,D_{1},\ldots,D_{d}\sim G_{\eta}^{\otimes R}(A)}\max_{i}\left\lvert F(B,x)-F(D_{i},y_{i})\right\rvert$ $\displaystyle=2\operatorname{val}_{\mathcal{P}}(F)=2\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})$ (6.3) Equations (6.1), (6.2) and (6.3) yield the desired result. ∎ ###### Lemma 6.4. $\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\mathsf{Var}_{1}[g_{A}]=\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x,y\in\mu_{H}^{R}}\left\lvert g_{A}(x)-g_{A}(y)\right\rvert\geqslant\frac{1}{2}(\mathsf{Var}_{1}[F])^{2}-\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})$ ###### Proof. Since the function $g_{A}$ is bounded in $[0,1]$ we can write $\displaystyle\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x,y\in\mu_{H}^{R}}\left\lvert g_{A}(x)-g_{A}(y)\right\rvert$ $\displaystyle\geqslant\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x,y\in\mu_{H}^{R}}\left(g_{A}(x)-g_{A}(y)\right)^{2}$ $\displaystyle\geqslant\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\in\mu_{H}^{R}}g^{2}_{A}(x)-\operatorname*{\varmathbb{E}}_{A}\operatorname*{\varmathbb{E}}_{x,y\in\mu_{H}^{R}}g_{A}(x)g_{A}(y)$ (6.4) In the above expression there are two terms. From Lemma 6.3, we already know that $\displaystyle\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\in\mu_{H}^{R}}g^{2}_{A}(x)\geqslant\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}F^{2}(A,x)-\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})$ (6.5) Let us expand out the other term in the expression. $\displaystyle\operatorname*{\varmathbb{E}}_{A}\operatorname*{\varmathbb{E}}_{x,y\in\mu_{H}^{R}}g_{A}(x)g_{A}(y)$ $\displaystyle=\operatorname*{\varmathbb{E}}_{A}\operatorname*{\varmathbb{E}}_{B,C\sim G_{\eta}^{\otimes R}(A)}\operatorname*{\varmathbb{E}}_{x,y\in\mu_{H}^{R}}F^{\prime}(\Pi(B,x))F^{\prime}(\Pi(C,y))$ (6.6) Now consider the following graph $\mathcal{H}$ on $\mathcal{V}^{\prime}$ defined by the following edge sampling procedure. * – Sample $A\in V^{R}$, and $x,y\in\mu_{H}^{R}$. * – Sample independently $B\sim G_{\eta}^{\otimes R}(A)$ and $C\sim G_{\eta}^{\otimes R}(A)$ * – Output the edge $\Pi(B,x)$ and $\Pi(C,y)$ Let $\lambda$ denote the second eigenvalue of the adjacency matrix of the graph $\mathcal{H}$. $\displaystyle\operatorname*{\varmathbb{E}}_{A}\operatorname*{\varmathbb{E}}_{B,C\sim G_{\eta}^{\otimes R}(A)}$ $\displaystyle\operatorname*{\varmathbb{E}}_{x,y\in\mu_{H}^{R}}F^{\prime}(\Pi(B,x))F^{\prime}(\Pi(C,y))=\langle F^{\prime},\mathcal{H}F^{\prime}\rangle$ $\displaystyle\leqslant\left(\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}F^{\prime}(\Pi(A,x))\right)^{2}+\lambda\left(\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}\left(F^{\prime}(\Pi(A,x))\right)^{2}-(\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}F^{\prime}(\Pi(A,x)))^{2}\right)$ $\displaystyle=\lambda\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}F(A,x)^{2}+(1-\lambda)(\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}F(A,x))^{2}\quad\text{(because $F^{\prime}(\Pi(A,x))=F(A,x)$)}$ Using the above inequality with equations (6.4), (6.5), (6.6) we can derive the following, $\displaystyle\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x,y\in\mu_{H}^{R}}\left\lvert g_{A}(x)-g_{A}(y)\right\rvert$ $\displaystyle\geqslant\operatorname*{\varmathbb{E}}_{A\sim V^{R}}\operatorname*{\varmathbb{E}}_{x\in\mu_{H}^{R}}g^{2}_{A}(x)-\operatorname*{\varmathbb{E}}_{A}\operatorname*{\varmathbb{E}}_{x,y\in\mu_{H}^{R}}g_{A}(x)g_{A}(y)$ $\displaystyle\geqslant(1-\lambda)\left[\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}F^{2}(A,x)-(\operatorname*{\varmathbb{E}}_{(A,x)\sim\mathcal{V}}F(A,x))^{2}\right]-\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})$ $\displaystyle\geqslant(1-\lambda)\mathsf{Var}[F]-\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})$ $\displaystyle\geqslant(1-\lambda)(\mathsf{Var}_{1}[F])^{2}-\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})\quad\text{(because $\mathsf{Var}[F]>\mathsf{Var}_{1}[F]^{2}$ for all $F$)}$ To finish the argument, we need to bound the second eigenvalue $\lambda$ for the graph $\mathcal{H}$. Here we will present a simple argument showing that the second eigenvalue $\lambda$ for the graph $\mathcal{H}$ is strictly less than $\frac{1}{2}$. Let us restate the procedure to sample edges from $\mathcal{H}$ slightly differently. * – Define a map $\mathcal{M}:V\times V_{H}\to(V\cup\perp)\times(V_{H}\cup\\{\perp\\})$ as follows, $\mathcal{M}(b,x)=(b,x)$ if $x\in\\{s,t\\}$ and $\mathcal{M}(b,x)=(\perp,\perp)$ otherwise. Let $\Pi^{\prime}:((V\cup\perp)\times(V_{H}\cup\perp))^{R}\to(V\times\\{s,t\\})^{\\{R\\}}$ denote the following map. $\Pi^{\prime}(B^{\prime},x^{\prime})=\\{(b^{\prime}_{i},x^{\prime}_{i})|x_{i}\in\\{s,t\\}\\}$ * – Sample $A\in V^{R}$ and $x,y\in\mu_{H}^{R}$ * – Sample independently $B=(b_{1},\ldots,b_{R})\sim G_{\eta}^{\otimes R}(A)$ and $C=(c_{1},\ldots,c_{R})\sim G_{\eta}^{\otimes R}(A)$. * – Let $\mathcal{M}(B,x),\mathcal{M}(C,y)\in\left((V\cup\\{\perp\\})\times(V_{H}\cup\\{\perp\\})\right)^{R}$ be obtained by applying $\mathcal{M}$ to each coordinate of $(B,x)$ and $(C,y)$. * – Output an edge between $(\Pi^{\prime}(\mathcal{M}(B,x)),\Pi^{\prime}(\mathcal{M}(C,y)))$. It is easy to see that the above procedure also samples the edges of $\mathcal{H}$ from the same distribution as earlier. Note that $\Pi^{\prime}$ is a projection from $((V\cup\perp)\times(V_{H}\cup\perp))^{R}$ to $(V\times\\{s,t\\})^{\\{R\\}}$. Therefore, the second eigenvalue of the graph $\mathcal{H}$ is upper bounded by the second eigenvalue of the graph on $((V\cup\perp)\times(V_{H}\cup\\{\perp\\}))^{R}$ defined by $\mathcal{M}(B,x)\sim\mathcal{M}(C,y)$. Let $\mathcal{H}_{1}$ denote the graph defined by the edges $\mathcal{M}(B,x)\sim\mathcal{M}(C,y)$. Observe that the coordinates of $\mathcal{H}_{1}$ are independent, i.e., $\mathcal{H}_{1}=\mathcal{H}_{2}^{R}$ for a graph $\mathcal{H}_{2}$ corresponding to each coordinate of $\mathcal{M}(B,x)$ and $\mathcal{M}(C,y)$. Therefore, the second eigenvalue of $\mathcal{H}_{1}$ is at most the second eigenvalue of $\mathcal{H}_{2}$. The Markov chain $\mathcal{H}_{2}$ on $(V\cup\\{\perp\\})\times(V_{H}\cup\perp)$ is defined as follows, * – Sample $a\in V$ and two neighbors $b\sim G_{\eta}(a)$ and $c\sim G_{\eta}(a)$. * – Sample $x,y\in V_{H}$ independently from the distribution $\mu_{H}$. * – Output an edge between $\mathcal{M}(b,x)$ $\mathcal{M}(c,y)$. Notice that in the Markov chain $\mathcal{H}_{2}$, for every choice of $\mathcal{M}(b,x)$ in $(V\cup\\{\perp\\})\times(V_{H}\cup\perp)$, with probability at least $\frac{1}{2}$, the other endpoint $\mathcal{M}(c,y)=(\perp,\perp)$. Therefore, the second eigenvalue of $\mathcal{H}_{2}$ is at most $\frac{1}{2}$, giving a bound of $\frac{1}{2}$ on the second eigen value of $\mathcal{H}$. ∎ Now we restate a claim from [RST12] that will be useful for our our soundness proof. ###### Theorem 6.5. (Restatment of Lemma 6.11 from [RST12]) Let $G$ be a graph with a vertex set $V$. Let a distribution on pairs of tuples $(A,B)$ be defined by $A\sim V^{R}$, $B\sim G_{\eta}^{\otimes R}(A)$. Let $\ell:V^{R}\to[R]$ be a labelling such that over the choice of random tuples and two random permutations $\pi_{A},\pi_{B}$ $\operatorname*{\varmathbb{P}}_{A\sim V^{R},B\sim G_{\eta}^{\otimes R}(A)}\operatorname*{\varmathbb{P}}_{\pi_{A},\pi_{B}}\left\\{\pi_{A}^{-1}\left(\ell(\pi_{A}(A))\right)=\pi_{B}^{-1}\left(\ell(\pi_{B}(B))\right)\right\\}\geqslant\zeta$ Then there exists a set $S\subset V$ with $\operatorname{{\sf vol}}(S)\in\left[\frac{\zeta}{16R},\frac{3}{\eta R}\right]$ satisfying $\Phi(S)\leqslant 1-\zeta/16$. The following lemma asserts that if the graph $G$ is a $NO$-instance of Small- Set Expansion ($\gamma$, $\delta$,$M$) then for almost all $A\in V^{R}$ the functions have no influential coordinates. ###### Lemma 6.6. Fix $\delta=1/R$. Suppose for all sets $S\subset V$ with $\operatorname{{\sf vol}}(S)\in\left(\delta/M,M\delta\right)$ , $\Phi(S)\geqslant 1-\gamma$ then for all $\tau>0$, $\operatorname*{\varmathbb{P}}_{A\sim V^{R}}\left[\exists i\mid\operatorname{{\sf Inf}}_{i}[\Gamma_{1-\eta}g_{A}]\geqslant\tau\right]\leqslant\frac{1000}{\tau^{3}\varepsilon^{2}\eta^{2}}\cdot\max(1/M,\gamma)$ ###### Proof. For each $A\in V^{R}$, let $L_{A}=\left\\{i\in[R]\mid\operatorname{{\sf Inf}}_{i}(\Gamma_{1-\eta}f_{A})>\tau/2\right\\}$ and $L^{\prime}_{A}=\left\\{i\in[R]\mid\operatorname{{\sf Inf}}_{i}(\Gamma_{1-\eta}g_{A})>\tau\right\\}$. Call a vertex $A\in V^{R}$ to be good if $L^{\prime}_{A}\neq\emptyset$. By Lemma 5.4, the sum of influences of $\Gamma_{1-\eta}g_{A}$ is at most $\frac{1}{\varepsilon\eta}\mathsf{Var}[g_{A}]\leqslant\frac{1}{\varepsilon\eta}$. Therefore, the cardinality of $L^{\prime}_{A}$ is upper bounded by $|L^{\prime}_{A}|\leqslant\frac{2}{\tau\varepsilon\eta}$. Similarly, the cardinality of $L_{A}$ is upper bounded by $|L_{A}|\leqslant\frac{1}{\tau\varepsilon\eta}$. The lemma asserts that at most a $\frac{1000}{\tau^{3}\eta^{2}\varepsilon^{2}}\cdot\max(1/M,\gamma)$ fraction of vertices are good. For the sake of contradiction, assume that $\operatorname*{\varmathbb{P}}_{A\in V^{R}}\left[L^{\prime}_{A}\neq\emptyset\right]\geqslant 1000\max(1/M,\gamma)/\tau^{2}\varepsilon^{2}\eta^{2}$. Define a labelling $\ell:V^{R}\to[R]$ as follows: for each $A\in V^{R}$, with probability $\frac{1}{2}$ choose a random coordinate in $L_{A}$ and with probability $\nicefrac{{1}}{{2}}$, choose a random coordinate in $L^{\prime}_{A}$. If the sets $L_{A},L^{\prime}_{A}$ are empty, then we choose a uniformly random coordinate in $[R]$. Observe that for each $A\in V^{R}$, the function $g_{A}$ is the average over bounded functions $f_{B}\colon V_{H}^{R}\to[0,1]$, where $B\sim G^{R}_{\eta}(A)$. Fix a vertex $A\in V^{R}$ such that $L^{\prime}_{A}\neq\emptyset$ and a coordinate $i\in L^{\prime}_{A}$. In particular, we have that $\operatorname{{\sf Inf}}_{i}[\Gamma_{1-\eta}g_{A}]\geqslant\tau$. Using convexity of influences, this implies that, $E_{B\sim G^{\otimes R}_{\eta}(A)}\operatorname{{\sf Inf}}_{i}[\Gamma_{1-\eta}f_{B}]\geqslant\tau\,.$ Specifically, this implies that for at least a $\frac{\tau}{2}$ fraction of the neighbours $B\sim G^{R}_{\eta}(A)$, the influence of the $i^{th}$ coordinate on $f_{B}$ is at least $\frac{\tau}{2}$. Hence, if $L^{\prime}_{A}\neq\emptyset$ then for at least a $\tau/2$ fraction of neighbours $B\sim G^{\otimes R}_{\eta}(A)$ we have $L^{\prime}_{A}\cap L_{B}\neq\emptyset$. By definition of the functions $f_{A},g_{A}$, it is clear that for every permutation $\pi:[R]\to[R]$, $f_{A}(\pi(x))=f_{\pi(A)}(x)$ and $g_{A}(\pi(x))=g_{\pi(A)}(x)$. Therefore, for every permutation $\pi:[R]\to[R]$ and $A\in V^{R}$, $L_{A}=\pi^{-1}(L_{\pi(A)})\qquad\text{ and }L^{\prime}_{A}=\pi^{-1}(L^{\prime}_{\pi(A)})$ From the above discussion, for every good vertex $A\in V^{R}$, for at least a $\tau/2$ fraction of the vertices $B\sim G^{\otimes R}_{\eta}(A)$, and every pair of permutations $\pi_{A},\pi_{B}:[R]\to[R]$, we have $\pi^{-1}_{A}(L^{\prime}_{\pi_{A}(A)})\cap\pi^{-1}_{B}(L_{\pi_{B}(B)})\neq\emptyset$. This implies that, $\displaystyle\operatorname*{\varmathbb{P}}_{A\sim V^{R},B\sim G_{\eta}^{\otimes R}(A)}\operatorname*{\varmathbb{P}}_{\pi_{A},\pi_{B}}\left\\{\pi_{A}^{-1}\left(\ell(\pi_{A}(A))\right)=\pi_{B}^{-1}\left(\ell(\pi_{B}(B))\right)\right\\}$ $\displaystyle\geqslant\operatorname*{\varmathbb{P}}_{A\sim V^{R}}[L^{\prime}_{A}\neq\emptyset]\cdot\operatorname*{\varmathbb{P}}_{B\sim G^{\otimes R}_{\eta}(A)}[L^{\prime}_{A}\cap L_{B}\neq\emptyset|L^{\prime}_{A}\neq\emptyset]\cdot\operatorname*{\varmathbb{P}}\left[\pi_{A}^{-1}(\ell(\pi_{A}(A)))=\pi_{B}^{-1}(\ell(\pi_{B}(B)))\mid L^{\prime}_{A}\cap L_{B}\neq\emptyset\right]$ $\displaystyle\geqslant\operatorname*{\varmathbb{P}}_{A\sim V^{R}}[L^{\prime}_{A}\neq\emptyset]\cdot\left(\frac{\tau}{2}\right)\cdot\frac{1}{2}\cdot\frac{1}{2}\cdot\frac{1}{|L^{\prime}_{A}|}\frac{1}{|L_{B}|}$ $\displaystyle\geqslant\operatorname*{\varmathbb{P}}_{A\sim V^{R}}[L^{\prime}_{A}\neq\emptyset]\cdot\left(\frac{\tau}{2}\right)\cdot\frac{1}{2}\cdot\frac{1}{2}\cdot\left(\frac{\tau\eta\varepsilon}{2}\right)^{2}$ $\displaystyle\geqslant 16\max(\nicefrac{{1}}{{M}},\gamma)$ By Theorem 6.5, this implies that there exists a set $S\subset V$ with $\operatorname{{\sf vol}}(S)\in[\frac{1}{MR},\frac{3}{\eta R}]$ satisfying $\Phi(S)\leqslant 1-\gamma$. A contradiction. ∎ Finally, we are ready to show the soundness of the reduction. ###### Theorem 6.7. (Soundness) For all $\varepsilon,d$ there exists choice of $M$ and $\gamma,\eta$ such that the following holds. Suppose for all sets $S\subset V$ with $\operatorname{{\sf vol}}(S)\in\left(\delta/M,M\delta\right)$ , $\Phi(S)\geqslant 1-\eta$, then for all $F^{\prime}:\mathcal{V}^{\prime}\to[0,1]$ such that $\mathsf{Var}_{1}[F^{\prime}]\geqslant\frac{1}{10}$, we have $\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})\geqslant\Omega(\sqrt{\varepsilon\log{d}})$ ###### Proof. Recall that we had fixed $\eta=\varepsilon/(100d)$. We will choose $\tau$ to small enough so that the error term in the soundness of dictatorship test (Proposition 5.5) is smaller than $\varepsilon$. Since the least probability of any vertex in Markov chain $H$ is $\varepsilon$, setting $\tau=\varepsilon^{1/\varepsilon^{3}}$ would suffice. First, we know that if $G$ is a $NO$-instance of Small-Set Expansion ($\gamma,\delta,M$) then for almost all $A\in V^{R}$, the function $g_{A}$ has no influential coordinates. Formally, by Lemma 6.6, we will have $\operatorname*{\varmathbb{P}}_{A\sim V^{R}}\left[\exists i\mid\operatorname{{\sf Inf}}_{i}[\Gamma_{1-\eta}g_{A}]\geqslant\tau\right]\leqslant\frac{1000}{\tau^{3}\eta^{2}}\cdot\max(1/M,\gamma)\,.$ For an appropriate choice of $M,\gamma$, the above inequality implies that for all but an $\varepsilon$-fraction of vertices $A\in V^{R}$, the function $g_{A}$ will have no influential coordinates. Without loss of generality, we may assume that $\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})\leqslant\sqrt{\varepsilon\log d}$, else we would be done. Applying Lemma 6.4, we get that $\operatorname*{\varmathbb{E}}_{A\in V^{R}}\mathsf{Var}_{1}[g_{A}]\geqslant(\mathsf{Var}_{1}[F])^{2}-\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})\geqslant\frac{1}{200}$. This implies that for at least a $\frac{1}{400}$ fraction of $A\in V^{R}$, $\mathsf{Var}_{1}[g_{A}]\geqslant 1/400$. Hence for at least an $1/400-\varepsilon$ fraction of vertices $A\in V^{R}$ we have, $\mathsf{Var}_{1}[g_{A}]\geqslant\frac{1}{400}\qquad\text{ and }\qquad\max_{i}\operatorname{{\sf Inf}}_{i}(\Gamma_{1-\eta}(g_{A}))\leqslant\tau$ By appealing to the soundness of the gadget (Proposition 5.5), for every such vertex $A\in V^{R}$, $\operatorname{val}_{\mu_{H}^{R}}(g_{A})\geqslant\Omega(\sqrt{\varepsilon\log{d}})-O(\varepsilon)=\Omega(\sqrt{\varepsilon\log{d}})$. Finally, by applying Lemma 6.2, we get the desired conclusion. $\operatorname{val}_{\mathcal{P}^{\prime}}(F^{\prime})\geqslant\operatorname*{\varmathbb{E}}_{A\in V^{R}}\operatorname{val}_{\mu_{H}^{R}}(g_{A})\geqslant\Omega(\sqrt{\varepsilon\log{d}})$ ∎ ## 7 Reduction from Analytic $d$-Vertex Expansion to Vertex Expansion ###### Theorem 7.1. A c-vs-s hardness for $d$-Balanced Analytic Vertex Expansion implies a 4 c-vs-s/16 hardness for balanced symmetric-vertex expansion on graphs of degree at most $D$, where $D=\max\left\\{100d/s,2\log(1/c)\right\\}$. At a high level, the proof of Theorem 7.1 has two steps. 1. 1. We show that a c-vs-s hardness for Balanced Analytic Vertex Expansion. implies a 2 c-vs-s/4 hardness for instances of Balanced Analytic Vertex Expansion having uniform distribution (Proposition 7.2). 2. 2. We show that a c-vs-s hardness for instances of $d$-Balanced Analytic Vertex Expansion having uniform stationary distribution implies a 2 c-vs-s/2 hardness for balanced symmetric-vertex expansion on $\Theta(D)$-regular graphs. (Proposition 7.5). ###### Proposition 7.2. A c-vs-s hardness for Balanced Analytic Vertex Expansion. implies a 2 c-vs-s/4 hardness for instances of Balanced Analytic Vertex Expansion having uniform distribution. ###### Proof. Let $(V,\mathcal{P})$ be an instance of Balanced Analytic Vertex Expansion. We construct an instance $(V^{\prime},\mathcal{P}^{\prime})$ as follows. Let $T=2n^{2}$. We first delete all vertices $i$ from $V$ which have $\mu(i)<1/2n^{2}$, i.e. $V\leftarrow V\backslash\left\\{i\in V:\mu(i)<1/2n^{2}\right\\}$. Note that after this operation, the total weight of the remaining vertices is still at least $1-1/2n$ and the Balanced Analytic Vertex Expansion can increase or decrease by at most a factor of $2$. Next for each $i$, we introduce introduce $\lceil\mu(i)T\rceil$ copies of vertex $i$. We will call these vertices the cloud for vertex $i$ and index them as $(i,a)$ for $a\in[\mu(i)T]$. We set the probability mass of each $(d+1)$-tuple $((i,a),(j_{1},b_{1})\ldots,(j_{d},b_{d}))$ as follows : $\mathcal{P}^{\prime}((i,a),(j_{1},b_{1})\ldots,(j_{d},b_{d}))=\frac{\mathcal{P}(i,j_{1},\ldots,j_{d})}{(\mu(i)T)\cdot\Pi_{\ell=1}^{d}(\mu(j_{\ell})T)}$ It is easy to see that $\mu^{\prime}(i,a)=1/T$ for all vertices $(i,a)\in V^{\prime}$. The analytic $d$-vertex expansion under a function $F$ is given by, $\frac{\operatorname*{\varmathbb{E}}_{((i,a),(j_{1},b_{1})\ldots,(j_{d},b_{d}))\sim\mathcal{P}^{\prime}}\max_{\ell}\left\lvert F(i,a)-F(j_{\ell},b_{\ell})\right\rvert}{\operatorname*{\varmathbb{E}}_{(i,a),(j,b)\sim\mu^{\prime}}\left\lvert F(i,a)-F(j,b)\right\rvert}$ where $X=(i,a)$ and $Y_{\ell}=(j,b)$ which are sampled as follows: 1. 1. Sample a $(d+1)$-tuple $(i,j_{1},\ldots,j_{d})$ from $\mathcal{P}$. 2. 2. Sample $a$ uniformly at random from ${1,\ldots,\mu(i)T}$. 3. 3. Sample $b_{\ell}$ uniformly at random from $\left\\{1,\ldots,\mu(j_{\ell})T\right\\}$ for each $\ell\in[d]$. #### Completeness Suppose, $\Phi({V,\mathcal{P}})\leqslant c$. Let $f$ be the corresponding cut function. The function $f:V\to\left\\{0,1\right\\}$ can be trivially extended to a function $F:V^{\prime}\to\left\\{0,1\right\\}$ thereby certifying that $\Phi({V^{\prime},\mathcal{P}^{\prime}})\leqslant 2c$. #### Soundness Suppose $\Phi({V,\mathcal{P}})\geqslant s$. Let $F:V^{\prime}\to\left\\{0,1\right\\}$ be any balanced function. By convexity of absolute value function we get $\operatorname*{\varmathbb{E}}_{((i,a),(j_{1},b_{1}),\ldots,(j_{d},b_{d}))\sim\mathcal{P}^{\prime}}\max_{\ell}\left\lvert F(i,a)-F(j_{\ell,b_{\ell}})\right\rvert\geqslant\operatorname*{\varmathbb{E}}_{(i,j_{1},\ldots,j_{d})\sim\mathcal{P}}\max_{\ell}\left\lvert\operatorname*{\varmathbb{E}}_{a}F(i,a)-\operatorname*{\varmathbb{E}}_{\ell}F(j_{\ell},b_{\ell})\right\rvert.$ So if we define $f(i)=E_{a}F(i,a)$, the numerator for analytic $d$-vertex expansion in $(V,\mathcal{P})$ for $f$ is only lower than the corresponding numerator for $F$ in $(V^{\prime},\mathcal{P}^{\prime})$. We need to lower bound the denominator, $\operatorname*{\varmathbb{E}}_{i,j\sim\mu}\left\lvert f(i)-f(j)\right\rvert$. The requisite lower bound follows from the following two lemmas. ###### Lemma 7.3. $\operatorname*{\varmathbb{E}}_{i,j\sim\mu}\left\lvert f(i)-f(j)\right\rvert\geqslant\operatorname*{\varmathbb{E}}_{(i,a),(j,b)\sim\mu^{\prime}}\left\lvert F(i,a)-F(j,b)\right\rvert-\operatorname*{\varmathbb{E}}_{(i,a),(i,b)\sim\mu^{\prime}}\left\lvert F(i,a)-F(i,b)\right\rvert$ ###### Proof. The Lemma follows directly from the following two inequalities. $\operatorname*{\varmathbb{E}}_{(i,a),(j,b)}\left\lvert F(i,a)-F(j,b)\right\rvert\leqslant\operatorname*{\varmathbb{E}}_{(i,a)}\left\lvert F(i,a)-f(i)\right\rvert+\operatorname*{\varmathbb{E}}_{(j,b)}\left\lvert F(j,b)-f(j)\right\rvert+\operatorname*{\varmathbb{E}}_{i,j}\left\lvert f(i)-f(j)\right\rvert\qquad\textrm{(Triangle Inequality)}$ and $\operatorname*{\varmathbb{E}}_{i,a}\left\lvert F(i,a)-f(i)\right\rvert\leqslant\operatorname*{\varmathbb{E}}_{i,a,b}\left\lvert F(i,a)-F(i,b)\right\rvert$ ∎ ###### Lemma 7.4. $\operatorname*{\varmathbb{E}}_{i,a,b}\left\lvert F(i,a)-F(i,b)\right\rvert\leqslant 2\operatorname{val}_{\mathcal{P}^{\prime}}(F)=2\operatorname*{\varmathbb{E}}_{(i,a),(j_{1},c_{1}),\ldots(j_{d},c_{d})\sim\mathcal{P}^{\prime}}\max_{\ell}\left\lvert F(i,a)-F(j_{\ell},c_{\ell})\right\rvert$ ###### Proof. Sample $(i,j_{1},\ldots,j_{d})\sim\mathcal{P}$. For any neighbour $(j,c)$ of $(i,a),(i,b)$, using the Triangle Inequality we have $\left\lvert F(i,a)-F(i,b)\right\rvert\leqslant\left\lvert F(i,a)-F(j,c)\right\rvert+\left\lvert F(j,c)-F(i,b)\right\rvert$ Therefore, $\displaystyle\left\lvert F(i,a)-F(i,b)\right\rvert$ $\displaystyle\leqslant$ $\displaystyle\frac{\sum_{\ell}\left\lvert F(i,a)-F(j_{\ell},c_{\ell})\right\rvert+\sum_{\ell}\left\lvert F(i,b)-F(j_{\ell},c_{\ell})\right\rvert}{d}$ $\displaystyle\leqslant$ $\displaystyle\max_{\ell}\left\lvert F(i,a)-F(j_{\ell},c_{\ell})\right\rvert+\max_{\ell}\left\lvert F(i,b)-F(j_{\ell},c_{\ell})\right\rvert$ Taking expectations over the uniformly random choice of $a$ and $b$ from the cloud of $i$, $\operatorname*{\varmathbb{E}}_{(i,a),(i,b)}\left\lvert F(i,a)-F(i,b)\right\rvert\leqslant 2\operatorname*{\varmathbb{E}}_{((i,a),(j_{1},b_{1}),\ldots,(j_{d},b_{d}))\sim\mathcal{P}^{\prime}}\max_{\ell}\left\lvert F(i,a)-F(j_{\ell},c_{\ell})\right\rvert$ ∎ Lemma 7.3 and Lemma 7.4 together show that $\operatorname*{\varmathbb{E}}_{i,j}\left\lvert f(i)-f(j)\right\rvert\geqslant\frac{\operatorname*{\varmathbb{E}}_{(i,a),(j,b)}\left\lvert F(i,a)-F(j,b)\right\rvert}{2}.$ as long as the value $\operatorname{val}_{\mathcal{P}^{\prime}}(F)<\mathsf{Var}_{1}[F]/4$. Therefore, for any $F:V^{\prime}\to\left\\{0,1\right\\}$, $\frac{\operatorname*{\varmathbb{E}}_{((i,a),(j_{1},b_{1})\ldots,(j_{d},b_{d}))\sim\mathcal{P}^{\prime}}\max_{\ell}\left\lvert F(i,a)-F(j_{\ell},b_{\ell})\right\rvert}{\operatorname*{\varmathbb{E}}_{(i,a),(j,b)\sim\mu^{\prime}}\left\lvert F(i,a)-F(j,b)\right\rvert}\geqslant\frac{s}{4}\,.$ Theorem 4.3 shows that the minimum value of Balanced Analytic Vertex Expansion is obtained by boolean functions. Therefore, $\Phi({V^{\prime},\mathcal{P}^{\prime}})\geqslant s/4$. ∎ ###### Proposition 7.5. A c-vs-s hardness for instances of $d$-Balanced Analytic Vertex Expansion having uniform stationary distribution implies a 2 c-vs-s/4 hardness for balanced symmetric-vertex expansion on $\Theta(D)$-regular graphs. Here $D\geqslant\max\left\\{100d/s,2\log(1/c)\right\\}$. ###### Proof. Let $(V^{\prime},\mathcal{P}^{\prime})$ be an instance of $d$-Balanced Analytic Vertex Expansion. We construct a graph $G$ from $(V^{\prime},\mathcal{P}^{\prime})$ as follows. We initially set $V(G)=V^{\prime}$. For each vertex $X$ we pick $D$ neighbors by sampling $D/d$ tuples from the marginal distribution of $\mathcal{P}^{\prime}$ on tuples containing $X$ in the first coordinate. Let $\deg(i)$ denote the degree of vertex $i$, i.e. the number of vertices adjacent to vertex $i$ in $G$. It is easy to see that $\deg(i)\geqslant D$ and $\operatorname*{\varmathbb{E}}\left[\deg(i)\right]=2D\ \forall i\in V(G)$. Let $L=\left\\{i\in V(G)|\deg(i)>4D\right\\}$. Using Hoeffding’s Inequality, we get a tight concentration for $\deg(i)$ around $2D$. $\operatorname*{\varmathbb{P}}\left[\deg(i)>4D\right]\leqslant e^{-D}\,.$ Therefore, $\operatorname*{\varmathbb{E}}\left[\left\lvert L\right\rvert\right]<n/e^{D}$. We delete these vertices from $G$, i.e. $V(G)\leftarrow V(G)\backslash L$. With constant probability, all remaining vertices will have their degrees in the range $[D/2,4D]$. Also, the vertex expansion of every set will decrease by at most an additive $1/e^{D}$. #### Completeness Let $\Phi({V^{\prime},\mathcal{P}^{\prime}})\leqslant c$ and let $F:V^{\prime}\to\left\\{0,1\right\\}$ be the function corresponding to $\Phi({V^{\prime},\mathcal{P}^{\prime}})$. Let the set $S$ be the support of the function $F$. Clearly, the set $S$ is balanced. Therefore, with constant probability, we have $\Phi^{\sf V}(G)\leqslant\Phi^{\sf V}_{G}(S)\leqslant\Phi({V^{\prime},\mathcal{P}^{\prime}})+1/e^{D}\leqslant 2c\,.$ #### Soundness Suppose $\Phi({V^{\prime},\mathcal{P}^{\prime}})\geqslant s$. Let $F:V^{\prime}\to\left\\{0,1\right\\}$ be any balanced function. Since the max is larger than the average, we get $\operatorname*{\varmathbb{E}}_{X}\max_{Y_{i}\in N_{G}(X)}\left\lvert F(X)-F(Y_{i})\right\rvert\geqslant\frac{d}{D}\sum_{j=1}^{D/d}\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F(X)-F(Y_{i})\right\rvert$ By Hoeffding’s inequality, we get $\displaystyle\operatorname*{\varmathbb{P}}\left[\left(\operatorname*{\varmathbb{E}}_{X}\max_{Y_{i}\in N(X)}\left\lvert F(X)-F(Y_{i})\right\rvert\right)<s/4\right]$ $\displaystyle\leqslant$ $\displaystyle\operatorname*{\varmathbb{P}}\left[\left(\frac{d}{D}\sum_{j=1}^{D/d}\operatorname*{\varmathbb{E}}_{(X,Y_{1},\ldots,Y_{d})\sim\mathcal{P}}\max_{i}\left\lvert F(X)-F(Y_{i})\right\rvert\right)<s/4\right]$ $\displaystyle\leqslant$ $\displaystyle\exp\left(-n(sD/d)^{2}\right)$ Here, the last inequality follows from Hoeffding’s inequality over the index $X$. There are at most $2^{n}$ boolean functions on $V$. Therefore, using a union bound on all those functions we get, $\operatorname*{\varmathbb{P}}\left[\Phi^{\sf V}(G)\geqslant s/4\right]\geqslant 1-2^{n}\exp\left(-n(sD/d)^{2}\right).$ Since $D>d/s$, we get that with probability $1-o(1)$, $\Phi^{\sf V}(G)\geqslant s/4$. ∎ ###### Proof of Theorem 7.1. Theorem 7.1 follows directly from Proposition 7.2 and Proposition 7.5. ∎ ## 8 Hardness of Vertex Expansion We are now ready to prove Theorem 1.3. We restate the Theorem below. ###### Theorem 8.1. For every $\eta>0$, there exists an absolute constant $C$ such that $\forall\varepsilon>0$ it is SSE-hard to distinguish between the following two cases for a given graph $G=(V,E)$ with maximum degree $d\geqslant 100/\varepsilon$. Yes : There exists a set $S\subset V$ of size $\left\lvert S\right\rvert\leqslant\left\lvert V\right\rvert/2$ such that $\phi^{\sf V}(S)\leqslant\varepsilon$ No : For all sets $S\subset V$, $\phi^{\sf V}(S)\geqslant\min\left\\{10^{-10},C\sqrt{\varepsilon\log d}\right\\}-\eta$ ###### Proof. From Theorem 6.1 and Theorem 6.7 we get that for an instance of Balanced Analytic Vertex Expansion $(V,\mathcal{P})$, it is SSE-hard to distinguish between the following two cases cases: Yes : $\Phi({V,\mathcal{P}})\leqslant\varepsilon$ No : $\Phi({V,\mathcal{P}})\geqslant\min\left\\{10^{-4},c_{1}\sqrt{\varepsilon\log d}\right\\}-\eta$ Now from Theorem 7.1 we get that for a graph $G$, it is SSE-hard to distinguish between the following two cases cases: Yes : $\Phi^{\sf V,bal}\leqslant\varepsilon$ No : $\Phi^{\sf V,bal}\geqslant\min\left\\{10^{-6},c_{2}\sqrt{\varepsilon\log d}\right\\}-\eta$ We use a standard reduction from Balanced vertex expansion to vertex expansion. For the sake of completeness we give a proof of this reduction in Lemma B.2. Using this reduction, we get that for a graph $G$, it is SSE-hard to distinguish between the following two cases cases: Yes : $\Phi^{\sf V}\leqslant\varepsilon$ No : $\Phi^{\sf V}\geqslant\min\left\\{10^{-8},c_{3}\sqrt{\varepsilon\log d}\right\\}-\eta$ Finally, using the computational equivalence of vertex expansion and symmetric vertex expansion (Theorem A.1), we get that for a graph $G$, it is SSE-hard to distinguish between the following two cases cases: Yes : $\phi^{\sf V}\leqslant\varepsilon$ No : $\phi^{\sf V}\geqslant\min\left\\{10^{-10},C\sqrt{\varepsilon\log d}\right\\}-\eta$ This completes the proof of the theorem. ∎ ## 9 An Optimal Algorithm for vertex expansion In this section we give a simple polynomial time algorithm which outputs a set $S$ whose vertex expansion is at most $\mathcal{O}\left(\sqrt{\phi^{\sf V}\log d}\right)$. We restate Theorem 1.2. ###### Theorem 9.1. There exists a polynomial time algorithm which given a graph $G=(V,E)$ having vertex degrees at most $d$, outputs a set $S\subset V$, such that $\phi^{\sf V}(S)=\mathcal{O}\left(\sqrt{\phi^{\sf V}\log d}\right)$. For an undirected graph $G$, Bobkov et al. [BHT00] define $\lambda_{\infty}$ as follows. $\lambda_{\infty}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\min_{x}\frac{\sum_{i}\max_{j\sim i}(x_{i}-x_{j})^{2}}{\sum_{i}x_{i}^{2}-\frac{1}{n}(\sum_{i}x_{i})^{2}}$ They also prove the following Theorem. ###### Theorem 9.2 ([BHT00]). For any unweighted, undirected graph $G$, we have $\frac{\lambda_{\infty}}{2}\leqslant\phi^{\sf V}\leqslant\sqrt{2\lambda_{\infty}}$ Consider the following SDP relaxation of $\lambda_{\infty}$. ###### SDP 9.3. $\displaystyle{\sf SDPval}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\min\sum_{i\in}\alpha_{i}$ subject to: $\displaystyle\left\lVert v_{j}-v_{i}\right\rVert^{2}$ $\displaystyle\leqslant$ $\displaystyle\alpha_{i}\qquad\forall i\in V\textrm{ and }\forall j\sim i$ $\displaystyle\sum_{i}\left\lVert v_{i}\right\rVert^{2}-\frac{1}{n}\left\lVert\sum_{i}v_{i}\right\rVert^{2}$ $\displaystyle=$ $\displaystyle 1$ It’s easy to see that this is a relaxation for $\lambda_{\infty}$. We present a simple randomized rounding of this SDP which, with constant probability, outputs a set with vertex expansion at most $C\sqrt{\phi^{\sf V}\log d}$ for some absolute constant $C$. ###### Algorithm 9.4. – Input : A graph $G=(V,E)$ – Output : A set $S$ with vertex expansion at most $576\sqrt{{\sf SDPval}\log d}$ (with constant probability). 1. Compute graph $G^{\prime}$ as in Theorem A.2, let $n=\left\lvert V(G^{\prime})\right\rvert$. 2. Solve SDP 9.3 for graph $G^{\prime}$. 3. Pick a random Gaussian vector $g\sim N(0,1)^{n}$. 4. For each $i\in[n]$, define $x_{i}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\langle v_{i},g\rangle$. 5. Sort the $x_{i}$’s in decreasing order $x_{i_{1}}\geqslant x_{i_{2}}\geqslant\ldots x_{i_{n}}$. Let $S_{j}$ denote the set of the first $j$ vertices appearing in the sorted order. Let $l$ be the index such that $l={\sf argmin}_{1\leqslant j\leqslant n/2}\Phi^{\sf V}(S_{j})\,.$ 6. Output the set corresponding to $S_{l}$ in $G$. We first prove a technical lemma which shows that we can a recover a a set with small vertex expansion from a good linear-ordering (Step $3$ in Algorithm 9.4). ###### Lemma 9.5. For any $y_{1},y_{2},\ldots,y_{n}\in\varmathbb R^{+}\cup\left\\{0\right\\}$, let $Y\stackrel{{\scriptstyle\mathrm{def}}}{{=}}[y_{1}y_{2}\ldots y_{n}]^{T}$ and $\alpha\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\frac{\sum_{i}\max_{j\sim i}|y_{j}-y_{i}|}{\sum_{i}y_{i}}$. Then $\exists S\subseteq\operatorname{\sf supp}(Y)$ such that $\phi^{\sf V}(S)\leqslant\alpha$. Morover, such a set can be computed in polynomial time. ###### Proof. W.l.o.g we may assume that $y_{1}\geqslant y_{2}\geqslant\ldots\geqslant y_{n}\geqslant 0$. Then $\frac{\sum_{i}\max_{j\sim i,j<i}(y_{j}-y_{i})}{\sum_{i}y_{i}}\leqslant\alpha$ (9.1) and $\frac{\sum_{i}\max_{j\sim i,j>i}(y_{i}-y_{j})}{\sum_{i}y_{i}}\leqslant\alpha$ (9.2) Let $i_{\max}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\textrm{\sf argmax}_{i}y_{i}>0$, i.e. $i_{\max}$ be the largest index such that $y_{i_{\max}}>0$. Let $S_{i}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\left\\{y_{1},\ldots,y_{i}\right\\}$. Suppose $\forall i<i_{\max}$ $N^{v}(S_{i})>\alpha|S_{i}|$. Now, from Inequality 9.2, $\alpha\geqslant\frac{\sum_{i}\max_{j\sim i,j<i}(y_{j}-y_{i})}{\sum_{i}y_{i}}=\frac{\sum_{i}\max_{j\sim i,j<i}\sum_{l=j}^{l=i-1}(y_{l}-y_{l+1})}{\sum_{i}y_{i}}=\frac{\sum_{i}(y_{i}-y_{i+1})|N(S_{i})|}{\sum_{i}y_{i}}>\alpha\frac{\sum_{i}(y_{i}-y_{i+1})|S_{i}|}{\sum_{i}y_{i}}=\alpha$ Thus we get $\alpha>\alpha$ which is a contradition. Therefore, $\exists i\leqslant i_{\max}$ such that $\phi^{\sf V}(S_{i})\leqslant\alpha$. ∎ Next we show a $\lambda_{\infty}$-like bound for the $x_{i}$’s. ###### Lemma 9.6. Let $x_{1},\ldots,x_{n}$ be as defined in Algorithm 9.4. Then, with constant probability, we have $\frac{\sum_{i}\max_{j\sim i}(x_{i}-x_{j})^{2}}{\sum_{i}x_{i}^{2}-\frac{1}{n}\left(\sum_{i}x_{i}\right)^{2}}\leqslant 96\ {\sf SDPval}\log d.$ ###### Proof. We will make use of the following fact that is part of the folkore about Gaussian random variables. For the sake of completeness, we prove this Fact in Appendix B (Fact B.3). ###### Fact 9.7. Let $Y_{1},Y_{2},\ldots,Y_{d}$ be $d$ normal random variables with mean $0$ and variance at most $\sigma^{2}$. Let $Y$ be the random variable defined as $Y\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\max\left\\{Y_{i}|i\in[d]\right\\}$. Then $\operatorname*{\varmathbb{E}}\left[Y\right]\leqslant 2\sigma\sqrt{\log d}$ Now using this fact we get, $\operatorname*{\varmathbb{E}}\left[\max_{j\sim i}(x_{j}-x_{j})^{2}\right]=\operatorname*{\varmathbb{E}}\left[\max_{j\sim i}\langle v_{i}-v_{j},g\rangle^{2}\right]\leqslant 2\max_{j\sim i}\left\lVert v_{j}-v_{i}\right\rVert^{2}\log d.$ Therefore, $\operatorname*{\varmathbb{E}}\left[\sum_{i}\max_{j\sim i}(x_{j}-x_{j})^{2}\right]\leqslant 2\ {\sf SDPval}\log d$. Using Markov’s Inequality we get $\operatorname*{\varmathbb{P}}\left[\sum_{i}\max_{j\sim i}(x_{j}-x_{j})^{2}>48\ {\sf SDPval}\log d\right]\leqslant\frac{1}{24}$ (9.3) For the denominator, using linearity of expectation, we get $\operatorname*{\varmathbb{E}}\left[\sum_{i}x_{i}^{2}-\frac{1}{n}\left(\sum_{i}x_{i}\right)^{2}\right]=\sum_{i}\left\lVert v_{i}\right\rVert^{2}-\frac{1}{n}\left\lVert\sum_{i}v_{i}\right\rVert^{2}.$ Also recall that the denominator can be re-written as $\sum_{i}x_{i}^{2}-\frac{1}{n}\left(\sum_{i}x_{i}\right)^{2}=\frac{1}{n}\sum_{i,j}(x_{i}-x_{j})^{2}\,,$ which is a sum of squares of gaussians. Now applying Lemma 9.8 to the denominator we conclude $\operatorname*{\varmathbb{P}}\left[\sum_{i}x_{i}^{2}-\frac{1}{n}\left(\sum_{i}x_{i}\right)^{2}\geqslant\frac{1}{2}\right]\geqslant\frac{1}{12}.$ (9.4) Using (9.3) and (9.4) we get that $\operatorname*{\varmathbb{P}}\left[\frac{\sum_{i}\max_{j\sim i}(x_{i}-x_{j})^{2}}{\sum_{i}x_{i}^{2}-\frac{1}{n}\left(\sum_{i}x_{i}\right)^{2}}\leqslant 96\ {\sf SDPval}\log d\right]>\frac{1}{24}.$ ∎ ###### Lemma 9.8. Suppose $z_{1},\ldots,z_{m}$ are gaussian random variables (not necessarily independent) such $\operatorname*{\varmathbb{E}}[\sum_{i}z_{i}^{2}]=1$ then $\operatorname*{\varmathbb{P}}\left[\sum_{i}z_{i}^{2}\geqslant\frac{1}{2}\right]\geqslant\frac{1}{12}$ ###### Proof. We will bound the variance of the random variable $R=\sum_{i}z_{i}^{2}$ as follows, $\displaystyle\operatorname*{\varmathbb{E}}[R^{2}]$ $\displaystyle=\sum_{i,j}E[z_{i}^{2}z_{j}^{2}]$ $\displaystyle\leqslant\sum_{i,j}\left(E[z_{i}^{4}]\right)^{\frac{1}{2}}\left(E[z_{j}^{4}]\right)^{\frac{1}{2}}$ $\displaystyle=\sum_{i,j}3E[z_{i}^{2}]E[z_{j}^{2}]\qquad\textrm{ (Using }\operatorname*{\varmathbb{E}}[g^{4}]=3\operatorname*{\varmathbb{E}}[g^{2}]\textrm{ for gaussians )}$ $\displaystyle=3\left(\sum_{i}E[z_{i}^{2}]\right)^{2}=3$ By the Paley-Zygmund inequality, $\operatorname*{\varmathbb{P}}\left[R\geqslant\frac{1}{2}\operatorname*{\varmathbb{E}}[R]\right]\geqslant\left(\frac{1}{2}\right)^{2}\frac{(\operatorname*{\varmathbb{E}}[R])^{2}}{\operatorname*{\varmathbb{E}}[R^{2}]}\geqslant\frac{1}{12}\,.$ ∎ We are now ready to complete the proof of Theorem 1.2. ###### Proof of Theorem 1.2. Let the $x_{i}$’s be as defined in Algorithm 9.4. W.l.o.g, we may assume that111For any $x\in\varmathbb R$, $x^{+}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\max\left\\{x,0\right\\}$. $\left\lvert\operatorname{\sf supp}(x^{+})\right\rvert<\left\lvert\operatorname{\sf supp}(x^{-})\right\rvert$. For each $i\in[n]$, we define $y_{i}=x_{i}^{+}$. Lemma 9.6 shows that with constant probability we have $\frac{\sum_{i}\max_{j\sim i}(x_{i}-x_{j})^{2}}{\sum_{i}x_{i}^{2}-\frac{1}{n}\left(\sum_{i}x_{i}\right)^{2}}\leqslant 96\ {\sf SDPval}\log d.$ We need to show that $\frac{\sum_{i}\max_{j\sim i}\left\lvert y_{i}^{2}-y_{j}^{2}\right\rvert}{\sum_{i}y_{i}^{2}-\frac{1}{n}\left(\sum_{i}y_{i}\right)^{2}}\leqslant 6\sqrt{\frac{\sum_{i}\max_{j\sim i}(x_{i}-x_{j})^{2}}{\sum_{i}x_{i}^{2}-\frac{1}{n}\left(\sum_{i}x_{i}\right)^{2}}}.$ This fact is proved in [BHT00]. For the sake of completeness, we give a proof of this fact in Appendix B (Lemma B.1). Using Lemma 9.6, we get $\frac{\sum_{i}\max_{j\sim i}\left\lvert y_{i}^{2}-y_{j}^{2}\right\rvert}{\sum_{i}y_{i}^{2}-\frac{1}{n}\left(\sum_{i}y_{i}\right)^{2}}\leqslant 576\sqrt{{\sf SDPval}\log d}.$ From Lemma 9.5 we get that the set output in Step $3$ of Algorithm 9.4 has vertex expansion at most $576\sqrt{{\sf SDPval}\log d}$. ∎ ## References * [ABS10] Sanjeev Arora, Boaz Barak, and David Steurer, _Subexponential algorithms for unique games and related problems_ , FOCS, 2010. * [AKK+08] Sanjeev Arora, Subhash Khot, Alexandra Kolla, David Steurer, Madhur Tulsiani, and Nisheeth K. Vishnoi, _Unique games on expanding constraint graphs are easy: extended abstract_ , STOC (Richard E. Ladner and Cynthia Dwork, eds.), ACM, 2008, pp. 21–28. * [Alo86] Noga Alon, _Eigenvalues and expanders_ , Combinatorica 6 (1986), no. 2, 83–96. * [AM85] Noga Alon and V. D. Milman, _$\lambda_{\mbox{1}}$ , isoperimetric inequalities for graphs, and superconcentrators_, J. Comb. Theory, Ser. 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Given a graph $G=(V,E)$, there exists a graph $H$ such that $\max_{i\in V(H)}\deg(i)\leqslant\left(\max_{i\in V(G)}\deg(i)\right)^{2}+\max_{i\in V(G)}\deg(i)$ such that $\Phi^{\sf V}(G)\leqslant\phi^{\sf V}(H)\leqslant\frac{\Phi^{\sf V}(G)}{1-\Phi^{\sf V}(G)}\,.$ ###### Proof. Let $G^{2}$ denote the graph on $V(G)$ that corresponds to two hops in the graph $G$. Formally, $\left\\{u,v\right\\}\in E(G^{2})\iff\exists w\in V(G),(u,w)\in E(G)\textrm{ and }(w,v)\in E(G)\,.$ Let $H=G\cup G^{2}$, i.e., $V(H)=V(G)$ and $E(H)=E(G)\cup E(G^{2})$. Let $S\subset V(G)$ be a set with small symmetric vertex expansion $\Phi^{\sf V}(S)=\varepsilon$. Let $S^{\prime}=S-N_{G}(\bar{S})$ be the set of vertices obtained from $S$ by deleting it’s internal boundary. It is easy to see that $N_{H}(S^{\prime})=N_{G}(S)\cup N_{G}(\bar{S})\,.$ Moreover, since $N_{G}(\bar{S})\leqslant\Phi^{\sf V}(S)w(S)$ we have $w(S^{\prime})\geqslant w(S)(1-\Phi^{\sf V}_{G}(S))$. Hence the vertex expansion of the set $S^{\prime}$ is upper-bounded by, $\phi^{\sf V}_{H}(S^{\prime})\leqslant\frac{\Phi^{\sf V}_{G}(S)}{1-\Phi^{\sf V}_{G}(S)}\,.$ Conversely, suppose $T\subset V(H)$ be a set with small vertex expansion $\phi^{\sf V}_{H}(T)=\varepsilon$. Consider the set $T^{\prime}=T\cup N_{G}(T)$. Observe that the internal boundary of $T^{\prime}$ in the graph $G$ is given by $N_{G}(\bar{T}^{\prime})=N_{G}(T)$. Further the external boundary of $T^{\prime}$ is given by $N_{G}(T^{\prime})=N_{G}(N_{G}(T))=N_{G^{2}}(T)$. Therefore, we have $N_{G}(T^{\prime})\cup N_{G}(\bar{T}^{\prime})=N_{G}(T)\cup N_{G^{2}}(T)=N_{H}(T)\,.$ Further since $w(T^{\prime})\geqslant w(T)$, we have $\Phi^{\sf V}_{G}(T^{\prime})\leqslant\phi^{\sf V}_{H}(T)$. This completes the proof of the Theorem. ∎ ###### Theorem A.2. Given a graph $G$, there exists a graph $G^{\prime}$ such that $\max_{i\in V(G)}\deg(i)=\max_{i\in V(G^{\prime})}\deg(i)$ and $\phi^{\sf V}(G)=\Theta(\Phi^{\sf V}(G^{\prime}))$. Moreover, such a $G^{\prime}$ can be computed in time polynomial in the size of $G$. ###### Proof. Given graph $G$, we construct $G^{\prime}$ as follows. We start with $V(G^{\prime})=V(G)\cup E(G)$, i.e., $G^{\prime}$ has a vertex for each vertex in $G$ and for each edge in $G$. For each edge $\left\\{u,v\right\\}\in E(G)$, we add edges $\left\\{u,\left\\{u,v\right\\}\right\\}$ and $\left\\{v,\left\\{u,v\right\\}\right\\}$ in $G^{\prime}$. For a vertex $i\in V(G)\cap V(G^{\prime})$, we set its weight to be $w(i)$. For a vertex $\left\\{u,v\right\\}\in E(G)\cap V(G^{\prime})$, we set its weight to be $\min\left\\{w(u)/\deg(u),w(v)/\deg(v)\right\\}$. It is easy to see that $G^{\prime}$ can be computed in time polynomial in the size of $G$, and that $\max_{i\in V(G)}\deg(i)=\max_{i\in V(G^{\prime})}\deg(i)$. We first show that $\phi^{\sf V}(G)\geqslant\Phi^{\sf V}(G^{\prime})/2$. Let $S\subset V(G)$ be the set having the least vertex expansion in $G$. Let $S^{\prime}=S\cup\left\\{\left\\{u,v\right\\}|\left\\{u,v\right\\}\in E(G)\textrm{ and }u\in S\textrm{ or }v\in S\right\\}\,.$ By construction, we have $w(S)\leqslant w(S^{\prime})$, $N_{G}(S)=N_{G^{\prime}}(S^{\prime})$ and $w(N_{G^{\prime}}(\bar{S}^{\prime}))\leqslant\sum_{u\in N_{G^{\prime}}(S^{\prime})}\deg(u)\frac{w(u)}{\deg(u)}\leqslant w(N_{G^{\prime}}(S^{\prime}))\,.$ Therefore, $\Phi^{\sf V}(G^{\prime})\leqslant\Phi^{\sf V}_{G^{\prime}}(S^{\prime})=\frac{w(N_{G^{\prime}}(S^{\prime}))+w(N_{G^{\prime}}(\bar{S}^{\prime}))}{w(S^{\prime})}\leqslant\frac{2w(N_{G}(S))}{w(S)}=2\phi^{\sf V}_{G}(S)=2\phi^{\sf V}(G)\,.$ Now, let $S^{\prime}\subset V(G^{\prime})$ be the set having the least value of $\Phi^{\sf V}_{G^{\prime}}(S^{\prime})$ and let $\varepsilon=\Phi^{\sf V}_{G^{\prime}}(S^{\prime})$. We construct the set $S$ as follows. We let $S_{1}=S^{\prime}\backslash N_{G^{\prime}}(\bar{S}^{\prime})$, i.e. we obtain $S_{1}$ from $S^{\prime}$ by deleting it’s internal boundary. Next we set $S=S_{1}\cap V(G)$. More formally, we let $S$ be the following set. $S=\left\\{v\in S^{\prime}\cap V(G)|v\notin N_{G^{\prime}}(\bar{S}^{\prime})\right\\}\,.$ By construction, we get that $N_{G}(S)\subseteq N_{G^{\prime}}(S^{\prime})\cup N_{G^{\prime}}(\bar{S}^{\prime})$. Now, the internal boundary of $S^{\prime}$ has weight at most $\varepsilon w(S^{\prime})$. Therefore, we have $w(S_{1})\geqslant(1-\varepsilon)w(S^{\prime})\,.$ We need a lower bound on the weight of the set $S$ we constructed. To this end, we make the following observation. For each vertex $\left\\{u,v\right\\}\in S_{1}\cap E(G)$, $u$ or $v$ also has to be in $S_{1}$ (If not, then deleting $\left\\{u,v\right\\}$ from $S^{\prime}$ will result in a decrease in the vertex expansion thereby contradicting the optimality of the choice of the set $S^{\prime}$). Therefore, we have the following $\sum_{\left\\{u,v\right\\}\in S_{1}\cap E(G)}w(\left\\{u,v\right\\})=\sum_{\left\\{u,v\right\\}\in S_{1}\cap E(G)}\min\left\\{\frac{w(u)}{\deg(u)},\frac{w(u)}{\deg(u)}\right\\}\leqslant\sum_{u\in S_{1}\cap V(G)}w(u)=w(S)\,.$ Therefore, $w(S)\geqslant\frac{w(S_{1})}{2}\geqslant(1-\varepsilon)\frac{w(S^{\prime})}{2}$ Therefore, we have $\phi^{\sf V}(G)\leqslant\phi^{\sf V}_{G}(S)=\frac{w(N_{G}(S))}{w(S)}\leqslant\frac{w(N_{G^{\prime}}(S^{\prime})\cup N_{G^{\prime}}(\bar{S}^{\prime})}{(1-\varepsilon)w(S^{\prime})/2}=4\Phi^{\sf V}_{G^{\prime}}(S^{\prime})=4\Phi^{\sf V}(G^{\prime})\,.$ Putting these two together, we have $\frac{\phi^{\sf V}(G)}{2}\leqslant\Phi^{\sf V}(G^{\prime})\leqslant 4\phi^{\sf V}(G)\,.$ ∎ ## Appendix B Omitted Proofs ###### Lemma B.1 ([BHT00]). Let $z_{1},\ldots,z_{n}\in R$ and let $x_{i}\stackrel{{\scriptstyle\mathrm{def}}}{{=}}z_{i}^{+}$. Then $\frac{\sum_{i}\max_{j\sim i}\left\lvert x_{i}^{2}-x_{j}^{2}\right\rvert}{\sum_{i}x_{i}^{2}-\frac{1}{n}\left(\sum_{i}x_{i}\right)^{2}}\leqslant 6\sqrt{\frac{\sum_{i}\max_{j\sim i}(z_{i}-z_{j})^{2}}{\sum_{i}z_{i}^{2}-\frac{1}{n}\left(\sum_{i}z_{i}\right)^{2}}}.$ ###### Proof. W.l.o.g we may assume that $\left\lvert\operatorname{\sf supp}(Z^{+})\right\rvert=\left\lvert\operatorname{\sf supp}(Z^{-})\right\rvert=\lceil n/2\rceil$ and that $z_{1}\geqslant z_{2}\geqslant\ldots\geqslant z_{n}$. Note that for any $i\in[n]$, we have $\max_{j\sim i,\&j<i}(z_{j}^{+}-z_{i}^{+})^{2}+\max_{j\sim i,\&j>i}(z_{j}^{-}-z_{i}^{-})^{2}\leqslant 2\max_{j\sim i}(z_{j}-z_{i})^{2}$. Now, $\displaystyle\frac{\sum_{i}\max_{j\sim i}(z_{j}-z_{i})^{2}}{\sum_{i}z_{i}^{2}}$ $\displaystyle\geqslant$ $\displaystyle\frac{\sum_{i}\max_{j<i\&j\sim i}(z_{j}^{+}-z_{i}^{+})^{2}+\sum_{i}\max_{j>i\&j\sim i}(z_{j}^{-}-z_{i}^{-})^{2}}{2\left(\sum_{i\in\operatorname{\sf supp}(Z^{+})}z_{i}^{2}+\sum_{i\in\operatorname{\sf supp}(Z^{-})}z_{i}^{2}\right)}$ $\displaystyle\geqslant$ $\displaystyle\min\left\\{\frac{\sum_{i}\max_{j<i\&j\sim i}(z_{j}^{+}-z_{i}^{+})^{2}}{2\sum_{i\in\operatorname{\sf supp}(Z^{+})}z_{i}^{2}},\frac{\sum_{i}\max_{j>i\&j\sim i}(z_{j}^{-}-z_{i}^{-})^{2}}{2\sum_{i\in\operatorname{\sf supp}(Z^{-})}z_{i}^{2}}\right\\}$ W.l.o.g we may assume that $\frac{\sum_{i}\max_{j<i\&j\sim i}(z_{j}^{+}-z_{i}^{+})^{2}}{\sum_{i\in\operatorname{\sf supp}(Z^{+})}z_{i}^{2}}\leqslant\frac{\sum_{i}\max_{j>i\&j\sim i}(z_{j}^{-}-z_{i}^{-})^{2}}{\sum_{i\in\operatorname{\sf supp}(Z^{-})}z_{i}^{2}}$ $\frac{\sum_{i}\max_{j\sim i}(x_{j}-x_{i})^{2}}{\sum_{i}x_{i}^{2}}\leqslant 2\frac{\sum_{i}\max_{j\sim i}(z_{j}-z_{i})^{2}}{\sum_{i}z_{i}^{2}}$ We have $\displaystyle\max_{j\sim i,j<i}(x_{j}^{2}-x_{i}^{2})$ $\displaystyle=$ $\displaystyle\max_{j\sim i,j<i}(x_{j}-x_{i})(x_{j}+x_{i})$ $\displaystyle\leqslant$ $\displaystyle\max_{j\sim i,j<i}\left((x_{j}-x_{i})^{2}+2x_{i}(x_{j}-x_{i})\right)$ $\displaystyle\leqslant$ $\displaystyle\max_{j\sim i,j<i}(x_{j}-x_{i})^{2}+2x_{i}\max_{j\sim i,j<i}(x_{j}-x_{i})$ $\displaystyle\leqslant$ $\displaystyle\sum_{i}\max_{j\sim i,j<i}(x_{j}-x_{i})^{2}+2\sqrt{\sum_{i}x_{i}^{2}}\sqrt{\max_{j\sim i,j<i}(x_{j}-x_{i})^{2}}\qquad\textrm{ Cauchy-Schwarz}$ $\displaystyle=$ $\displaystyle\lambda_{\infty}\sum_{i}x_{i}^{2}+2\sqrt{\lambda_{\infty}}\sum_{i}x_{i}^{2}$ Thus we have $\frac{\sum_{i}\max_{j\sim i,j<i}(x_{j}^{2}-x_{i}^{2})}{\sum_{i}x_{i}^{2}}\leqslant 6\sqrt{\frac{\sum_{i}\max_{j\sim i}(z_{j}-z_{i})^{2}}{\sum_{i}z_{i}^{2}}}$ ∎ ###### Lemma B.2. A c-vs-s hardness for $b$-Balanced-vertex expansion implies a 2 c-vs-s/2 hardness for vertex expansion. ###### Proof. Fix a graph $G=(V,E)$. #### Completeness If $G$ has Balanced-vertex expansion at most $c$, then clearly its vertex expansion is also at most $c$. #### Soundness Suppose we have a polynomial time algorithm that outputs a set $S$ having $\phi^{\sf V}(S)\leqslant s$ whenever $G$ has a set $S^{\prime}$ having $\phi^{\sf V}(S^{\prime})\leqslant 2c$. Then this algorithm can be used as an oracle to find a balanced set of vertex expansion at most $s$. This would contradict the hardness of Balanced-vertex expansion. First we find a set, say $T$, having $\phi^{\sf V}(T)\leqslant s$. If we are unable to find such a $T$, we stop. If we find such a set $T$ and $T$ has balance at least $b$, then we stop. Else, we delete the vertices in $T$ from $G$ and repeat. We continue until the number of deleted vertices first exceeds a $b/2$ fraction of the vertices. If the process deletes less than $b/2$ fraction of the vertices, then the remaining graph (which has at least $(1-b/2)n$ vertices) has conductance $2c$, and thus in the original graph every $b$-balanced cut has conductance at least $c$. This is a contradiction ! If the process deletes between $b/2$ and $1/2$ of the nodes, then the union of the deleted sets gives a set $T^{\prime}$ with $\phi^{\sf V}(T^{\prime})\leqslant s$ and balance of $T^{\prime}$ at least $b/2$. ∎ ###### Fact B.3. Let $Y_{1},Y_{2},\ldots,Y_{d}$ be $d$ standard normal random variables. Let $Y$ be the random variable defined as $Y\stackrel{{\scriptstyle\mathrm{def}}}{{=}}\max\left\\{Y_{i}|i\in[d]\right\\}$. Then $\operatorname*{\varmathbb{E}}\left[Y^{2}\right]\leqslant 4\log d\qquad\textrm{ and }\qquad\operatorname*{\varmathbb{E}}\left[Y\right]\leqslant 2\sqrt{\log d}\,.$ ###### Proof. For any $Z_{1},\ldots,Z_{d}\in\varmathbb R$ and any $p\in\varmathbb Z^{+}$, we have $\max_{i}\left\lvert Z_{i}\right\rvert\leqslant(\sum_{i}Z_{i}^{p})^{\frac{1}{p}}$. Now $Y^{2}=(\max_{i}X_{i})^{2}\leqslant\max_{i}X_{i}^{2}$. $\displaystyle\operatorname*{\varmathbb{E}}\left[Y^{2}\right]$ $\displaystyle\leqslant$ $\displaystyle\operatorname*{\varmathbb{E}}\left[\left(\sum_{i}X_{i}^{2p}\right)^{\frac{1}{p}}\right]\leqslant\left(\operatorname*{\varmathbb{E}}\left[\sum_{i}X_{i}^{2p}\right]\right)^{\frac{1}{p}}\quad\textrm{ ( Jensen's Inequality )}$ $\displaystyle\leqslant$ $\displaystyle\left(\sum_{i}\left(\operatorname*{\varmathbb{E}}\left[X_{i}^{2}\right]\right)\frac{(2p)!}{(p)!2^{p}}\right)^{\frac{1}{p}}\leqslant 2pd^{\frac{1}{p}}\quad\textrm{(using $(2p)!/p!\leqslant(2p)^{p}$ )}$ Picking $p=\log d$ gives $\operatorname*{\varmathbb{E}}\left[Y^{2}\right]\leqslant 2e\log d$. Therefore $\operatorname*{\varmathbb{E}}\left[Y\right]\leqslant\sqrt{\operatorname*{\varmathbb{E}}\left[Y^{2}\right]}\leqslant\sqrt{2e\log d}$. ∎ ## Appendix C Noise Operators Let $H$ be a Markov chain and let $F:V(H^{k})\to\left\\{0,1\right\\}$ be any boolean function. In this section we prove some basic properties of $\Gamma_{1-\eta}F$. We restate the definition of our Noise Operator $\Gamma_{1-\eta}$. $\Gamma_{1-\eta}F(X)=(1-\eta)F(X)+\eta\operatorname*{\varmathbb{E}}_{Y\sim X}F(Y)$ The Fourier expansion of the function $F$ is $F=\sum_{\sigma}\hat{f}_{\sigma}e_{\sigma}$ where $\left\\{e_{\sigma}\right\\}$ is the set of eigenvectors of $H^{k}$. It is easy to see that $e_{\sigma}=e_{\sigma_{1}}\otimes\ldots\otimes e_{\sigma_{k}}$, where the $\left\\{e_{\sigma_{i}}\right\\}$ are the eigenvectors of $H$. ###### Lemma C.1. (Decay of High degree Coefficients) Let $Q_{j}$ be the multi-linear polynomial representation of $\left\lvert\Gamma_{1-\eta}F(X)-\Gamma_{1-\eta}F(Y_{j})\right\rvert$. Then, $\mathsf{Var}(Q_{j}^{>p})\leqslant(1-\varepsilon\eta)^{2p}$ ###### Proof. $\displaystyle\Gamma_{1-\eta}F(X)$ $\displaystyle=$ $\displaystyle(1-\eta)F(X)+\eta\operatorname*{\varmathbb{E}}_{Y\sim X}F(Y)$ $\displaystyle=$ $\displaystyle\sum_{\sigma}\hat{f}_{\sigma}\operatorname*{\varmathbb{E}}\left[e_{\sigma}(X)+\operatorname*{\varmathbb{E}}_{Y\sim X}F(Y)\right]$ $\displaystyle=$ $\displaystyle\sum_{\sigma}\hat{f}_{\sigma}\Pi_{i\in\sigma}\left((1-\eta)e_{\sigma_{i}}(X_{i})+\operatorname*{\varmathbb{E}}_{Y_{i}\sim X_{i}}e_{\sigma_{i}}(Y_{i})\right)$ We bound the second moment of $\Gamma_{1-\eta}F$ as follows $\displaystyle\operatorname*{\varmathbb{E}}_{X}\left(\Gamma_{1-\eta}F(X)\right)^{2}$ $\displaystyle=$ $\displaystyle\sum_{\sigma}\hat{f}_{\sigma}^{2}\operatorname*{\varmathbb{E}}_{X}\Pi_{i\in\sigma}\left((1-\eta)e_{\sigma_{i}}(X_{i})+\eta\operatorname*{\varmathbb{E}}_{Y_{i}\sim X_{i}}e_{\sigma_{i}}(Y_{i})\right)^{2}$ $\displaystyle=$ $\displaystyle\sum_{\sigma}\hat{f}_{\sigma}^{2}\Pi_{i\in\sigma}\left((1-\eta)^{2}\operatorname*{\varmathbb{E}}_{X_{i}}e_{\sigma_{i}}(X_{i})^{2}+\eta^{2}\operatorname*{\varmathbb{E}}_{X_{i}}\left(\operatorname*{\varmathbb{E}}_{Y_{i}\sim X_{i}}e_{\sigma_{i}}(Y_{i})\right)^{2}+2\eta(1-\eta)\operatorname*{\varmathbb{E}}_{X_{i}}\operatorname*{\varmathbb{E}}_{Y_{i}\sim X_{i}}e_{\sigma_{i}}(X_{i})e_{\sigma_{i}}(Y_{i})\right)^{2}$ $\displaystyle=$ $\displaystyle\sum_{\sigma}\hat{f}_{\sigma}^{2}\Pi_{i\in\sigma}\left((1-\eta)^{2}+\eta^{2}\lambda_{i}^{2}+2\eta(1-\eta)\lambda_{i}\right)$ $\displaystyle=$ $\displaystyle\sum_{\sigma}\hat{f}_{\sigma}^{2}\Pi_{i\in\sigma}\left(1-\eta+\eta\lambda_{i}\right)^{2}$ Therefore, $\displaystyle\mathsf{Var}(Q_{j}^{>p})$ $\displaystyle\leqslant$ $\displaystyle 4\sum_{\sigma:\left\lvert\sigma\right\rvert>p}\hat{f}_{\sigma}^{2}\Pi_{i\in\sigma}\left(1-\eta+\eta\lambda_{i}\right)^{2}$ $\displaystyle\leqslant$ $\displaystyle\sum_{\sigma:\left\lvert\sigma\right\rvert>p}\hat{f}_{\sigma}^{2}\left(1-\varepsilon\eta\right)^{2\left\lvert\sigma\right\rvert}$ $\displaystyle\leqslant$ $\displaystyle(1-\varepsilon\eta)^{2p}$ Here the second inequality follows from the fact that all non-trivial eigenvalues of $H$ are at most $1-\varepsilon$ and the third inequality follows Parseval’s indentity. ∎
arxiv-papers
2013-04-10T20:31:28
2024-09-04T02:49:44.134215
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Anand Louis, Prasad Raghavendra, Santosh Vempala", "submitter": "Anand Louis", "url": "https://arxiv.org/abs/1304.3139" }
1304.3146
# Standardized network reconstruction of CHO cell metabolism Kieran Smallbone _Manchester Centre for Integrative Systems Biology_ _131 Princess Street, Manchester M1 7DN, UK_ [email protected] ###### Abstract We have created a genome-scale network reconstruction of chinese hamster ovary (CHO) cell metabolism. Existing reconstructions were improved in terms of annotation standards, to facilitate their subsequent use in dynamic modelling. The resultant network is available from ChoNet (http://cho.sf.net/). ## ChoNet The structure of metabolic networks can be determined by a reconstruction approach, using data from genome annotation, metabolic databases and chemical databases [1]. We built upon an existing reconstruction of the metabolic network of CHO cells that was based on genomic and literature data (Selvarasu et al. [2]). This model contains 1065 genes, 1545 metabolic reactions, and 1218 unique metabolites. Use of in silico modelling allows characterisation internal metabolic behaviour during growth and non-growth phases [2]. Selvarasu et al. suffers from the use of non-standard names and is not annotated with methods that are machine-readable. The model was thus updated according to existing community-driven annotation standards [3]. The reconstruction is described and made available in Systems Biology Markup Language (SBML) (http://sbml.org/, [4]), an established community XML format for the mark-up of biochemical models that is understood by a large number of software applications. The network is available from ChoNet (http://cho.sf.net/). As supplied, the model has an optimal growth rate of 0.0257 flux units. ### Annotation The highly-annotated network is primarily assembled and provided as an SBML file. Specific model entities, such as species or reactions, are annotated using ontological terms. These annotations, encoded using the resource description framework (RDF) [5], provide the facility to assign definitive terms to individual components, allowing software to identify such components unambiguously and thus link model components to existing data resources [6]. Minimum Information Requested in the Annotation of Models (MIRIAM, [7]) –compliant annotations have been used to identify components unambiguously by associating them with one or more terms from publicly available databases registered in MIRIAM resources [8]. Thus this network is entirely traceable and is presented in a computational framework. Six different databases are used to annotate entities in the network (see Table 1). The Systems Biology Ontology (SBO) [9] is also used to semantically discriminate between entity types. Five different SBO terms are used to annotate entities in the network (see Table 2). example | identifier | database ---|---|--- ChoNet | 10029 | taxonomy ChoNet | 22252269 | pubmed cytosol | GO:0005737 | obo.go N-methylhistamine | CHEBI:29009 | chebi 1-oxidoreductase | 1.1.99.1 | ec-code 1-oxidoreductase | 218865 | ncbigene Table 1: MIRIAM annotations used in the model. example | SBO term | interpretation ---|---|--- cytosol | 290 | compartment N-methylhistamine | 247 | metabolite N-methylhistamine | 176 | biochemical reaction AATRA20 | 185 | transport reaction biomass objective function | 397 | modelling reaction Table 2: SBO terms used in the model. ### Use We maintain the distinction between the CHO cell GEnome scale Network REconstruction (GENRE) [10] and its derived GEnome scale Model (GEM) [11]. This is important to differentiate between the established biochemical knowledge included in a GENRE and the modelling assumptions required for analysis or simulation with a GEM. A GENRE serves as a structured knowledge base of established biochemical facts, while a GEM is a model which supplements the established biochemical information with additional (potentially hypothetical) information to enable computational simulation and analysis [12]. Reactions added to the GEM include the biomass objective function – a sink representing cellular growth – and hypothetical transporters. Three versions of the network are made available: * • <organism>_<version>.xml, a GEM for use in flux analyses, provided in Flux Balance Constraints (FBC) format [13] * • <organism>_<version>_cobra.xml, the same GEM network, provided in Cobra format [14] * • <organism>_<version>_recon.xml, a GENRE containing only reactions for which there is experimental evidence ## EcoliNet and YeastNet EcoliNet (http://ecoli.sf.net/) and YeastNet (http://yeast.sf.net/) are annotated metabolic network of Escherichia coli and Saccharomyces cerevisiae S288c, respectively, that are periodically updated by a team of collaborators from various research groups. The three networks are structured identically to facilitate comparative studies. #### Acknowledgements This work is deliverable 4.3 of the EU FP7 (KBBE) grant 289434 “BioPreDyn: New Bioinformatics Methods and Tools for Data-Driven Predictive Dynamic Modelling in Biotechnological Applications”. ## References * [1] Palsson BØ, Thiele I: A protocol for generating a high-quality genome-scale metabolic reconstruction. Nature Protoc 2010, 5:91–121. doi:10.1038/nprot.2009.203 * [2] Selvarasu S, Ho YS, Chong WP, Wong NS, Yusufi FN, Lee YY, Yap MG, Lee DY: Combined in silico modeling and metabolomics analysis to characterize fed-batch CHO cell culture. Biotechnol Bioeng 2012, 109:1415–1429. doi:10.1002/bit.24445 * [3] Herrgård MJ, Swainston N, Dobson P, Dunn WB, Arga KY, Arvas M, Blüthgen N, Borger S, Costenoble R, Heinemann M, Hucka M, Le Novére N, Li P, Liebermeister W, Mo M, Oliveira AP, Petranovic D, Pettifer S, Simeonidis E, Smallbone K, Spasić I, Weichart D, Brent R, Broomhead DS, Westerhoff HV, Kırdar B, Penttilä M, Klipp E, Palsson BØ, Sauer U, Oliver SG, Mendes P, Nielsen J, Kell DB: A consensus yeast metabolic network obtained from a community approach to systems biology. Nature Biotechnol 2008, 26:1155–1160. doi:10.1038/nbt1492 * [4] Hucka M, Finney A, Sauro H, Bolouri H, Doyle J, Kitano H, Arkin A, Bornstein B, Bray D, Cornish-Bowden A, Cuellar A, Dronov S, Gilles E, Ginkel M, Gor V, Goryanin I, Hedley W, Hodgman T, Hofmeyr J,Hunter P, Juty N, Kasberger J, Kremling A, Kummer U, Le Novère N, Loew L, Lucio D, Mendes P, Minch E, Mjolsness E, Nakayama Y, Nelson M, Nielsen P, Sakurada T, Schaff J, Shapiro B, Shimizu T, Spence H, Stelling J, Takahashi K, Tomita M, Wagner J, Wang J: The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models. Bioinformatics 2003, 19:524–531. doi:10.1093/bioinformatics/btg015 * [5] Wang XS, Gorlitsky R, Almeida JS: From XML to RDF: how semantic web technologies will change the design of ‘omic’ standards. Nature Biotechnol 2005, 23:1099–1103. doi:10.1038/nbt1139 * [6] Kell DB, Mendes P: The markup is the model: reasoning about systems biology models in the Semantic Web era. J Theor Biol 2008, 252:538–543. doi:10.1016/j.jtbi.2007.10.023 * [7] Le Novére N, Finney A, Hucka M, Bhalla US, Campagne F, Collado-Vides J, Crampin EJ, Halstead M, Klipp E, Mendes P, Nielsen P, Sauro H, Shapiro B, Snoep JL, Spence HD, Wanner BL: Minimum information requested in the annotation of biochemical models (MIRIAM). Nature Biotechnol 2005, 23:1509–1515. doi:10.1038/nbt1156 * [8] Laibe C, Le Novére N: MIRIAM resources: tools to generate and resolve robust cross-references in Systems Biology. BMC Syst Biol 2008, 252:538–543. doi:10.1186/1752-0509-1-58 * [9] Courtot M., Juty N., Knüpfer C., Waltemath D., Zhukova A., Dr ger A., Dumontier M., Finney A., Golebiewski M., Hastings J., Hoops S., Keating S., Kell D.B., Kerrien S., Lawson J., Lister A., Lu J., Machne R., Mendes P., Pocock M., Rodriguez N., Villeger A., Wilkinson D.J., Wimalaratne S., Laibe C., Hucka M., Le Novére N.: Controlled vocabularies and semantics in systems biology.. Mol Syst Biol 2011, 7:-543. doi:10.1038/msb.2011.77 * [10] Price ND, Reed JL, Palsson BØ: Genome-scale models of microbial cells: evaluating the consequences of constraints. Nat Rev Microbiol 2004, 2:886–897. doi:10.1038/nrmicro1023 * [11] Feist AM, Herrgård MJ, Thiele I, Reed JL, Palsson BØ: Reconstruction of biochemical networks in microorganisms. Nat Rev Microbiol 2008, 7:129–143. doi:10.1038/nrmicro1949 * [12] Heavner BD, Smallbone K, Barker B, Mendes P, Walker LP: Yeast 5 – an expanded reconstruction of the Saccharomyces cerevisiae metabolic network. BMC Syst Biol 2012, 6:55. doi:10.1186/1752-0509-6-55 * [13] Olivier BG, Bergmann FT: Flux Balance Constraints, Version 1 Release 1. Available from COMBINE. 2013\. * [14] Schellenberger J, Que R, Fleming RM, Thiele I, Orth JD, Feist AM, Zielinski DC, Bordbar A, Lewis NE, Rahmanian S, Kang J, Hyduke DR, Palsson BØ: Quantitative prediction of cellular metabolism with constraint-based models: the COBRA Toolbox v2.0. Nat Protoc 2011, 6:1290–1307. doi:10.1038/nprot.2011.308.4
arxiv-papers
2013-04-09T09:09:16
2024-09-04T02:49:44.150948
{ "license": "Public Domain", "authors": "Kieran Smallbone", "submitter": "Kieran Smallbone", "url": "https://arxiv.org/abs/1304.3146" }
1304.3192
11institutetext: Y. Guo 22institutetext: College of Electronic Science and Engineering, National University of Defense Technology, Changsha, Hunan, P.R.China 22email: [email protected] 33institutetext: Y. Guo 44institutetext: F. Sohel 55institutetext: M. Bennamoun 66institutetext: School of Computer Science and Software Engineering, The University of Western Australia, Perth, Australia 77institutetext: M. Lu 88institutetext: J. Wan 99institutetext: College of Electronic Science and Engineering, National University of Defense Technology # Rotational Projection Statistics for 3D Local Surface Description and Object Recognition ††thanks: This research is supported by a China Scholarship Council (CSC) scholarship and Australian Research Council grants (DE120102960, DP110102166). Yulan Guo Ferdous Sohel Mohammed Bennamoun Min Lu Jianwei Wan (Received: date / Accepted: date) ###### Abstract Recognizing 3D objects in the presence of noise, varying mesh resolution, occlusion and clutter is a very challenging task. This paper presents a novel method named Rotational Projection Statistics (RoPS). It has three major modules: Local Reference Frame (LRF) definition, RoPS feature description and 3D object recognition. We propose a novel technique to define the LRF by calculating the scatter matrix of all points lying on the local surface. RoPS feature descriptors are obtained by rotationally projecting the neighboring points of a feature point onto 2D planes and calculating a set of statistics (including low-order central moments and entropy) of the distribution of these projected points. Using the proposed LRF and RoPS descriptor, we present a hierarchical 3D object recognition algorithm. The performance of the proposed LRF, RoPS descriptor and object recognition algorithm was rigorously tested on a number of popular and publicly available datasets. Our proposed techniques exhibited superior performance compared to existing techniques. We also showed that our method is robust with respect to noise and varying mesh resolution. Our RoPS based algorithm achieved recognition rates of 100%, 98.9%, 95.4% and 96.0% respectively when tested on the Bologna, UWA, Queen’s and Ca’ Foscari Venezia Datasets. ###### Keywords: Surface descriptor Local feature Local reference frame 3D representation Feature matching 3D object recognition ††journal: International Journal of Computer Vision ## 1 Introduction Object recognition is an active research area in computer vision with numerous applications including navigation, surveillance, automation, biometrics, surgery and education (Guo et al., 2013c; Johnson and Hebert, 1999; Lei et al., 2013; Tombari et al., 2010). The aim of object recognition is to correctly identify the objects that are present in a scene and recover their poses (i.e., position and orientation) (Mian et al., 2006b). Beyond object recognition from 2D images (Brown and Lowe, 2003; Lowe, 2004; Mikolajczyk and Schmid, 2004), 3D object recognition has been extensively investigated during the last two decades due to the availability of low cost scanners and high speed computing devices (Mamic and Bennamoun, 2002). However, recognizing objects from range images in the presence of noise, varying mesh resolution, occlusion and clutter is still a challenging task. Existing algorithms for 3D object recognition can broadly be classified into two categories, i.e., global feature based and local feature based algorithms (Bayramoglu and Alatan, 2010; Castellani et al., 2008). The global feature based algorithms construct a set of features which encode the geometric properties of the entire 3D object. Examples of these algorithms include the geometric 3D moments (Paquet et al., 2000), shape distribution (Osada et al., 2002) and spherical harmonics (Funkhouser et al., 2003). However, these algorithms require complete 3D models and are therefore sensitive to occlusion and clutter (Bayramoglu and Alatan, 2010). In contrast, the local feature based algorithms define a set of features which encode the characteristics of the local neighborhood of feature points. The local feature based algorithms are robust to occlusion and clutter. They are therefore even suitable to recognize partially visible objects in a cluttered scene (Petrelli and Di Stefano, 2011). A number of local feature based 3D object recognition algorithms have been proposed in the literature, including point signature based (Chua and Jarvis, 1997), spin image based (Johnson and Hebert, 1999), tensor based (Mian et al., 2006b) and Exponential Map (EM) based (Bariya et al., 2012) algorithms. Most of these algorithms follow a paradigm that has three phases, i.e., feature matching, hypothesis generation and verification, and pose refinement (Taati and Greenspan, 2011). Among these phases, feature matching plays a critical role since it directly affects the effectiveness and efficiency of the two subsequent phases (Taati and Greenspan, 2011). Descriptiveness and robustness of a feature descriptor are crucial for accurate feature matching (Bariya and Nishino, 2010). The feature descriptors should be highly descriptive to ensure an accurate and efficient object recognition. That is because the accuracy of feature matching directly influences the quality of the estimated transformation which is used to align the model to the scene, as well as the computational time required for verification and refinement (Taati and Greenspan, 2011). Moreover, the feature descriptors should be robust to a set of nuisances, including noise, varying mesh resolution, clutter, occlusion, holes and topology changes (Bronstein et al., 2010a; Boyer et al., 2011). A number of local feature descriptors exist in literature (Section 2.1). These descriptors can be divided into two broad categories based on whether they use a Local Reference Frame (LRF) or not. Feature descriptors without any LRF use a histogram or the statistics of the local geometric information (e.g., normal, curvature) to form a feature descriptor (Section 2.1.1). Examples of this category include surface signature (Yamany and Farag, 2002), Local Surface Patch (LSP) (Chen and Bhanu, 2007) and THRIFT (Flint et al., 2007). In contrast, feature descriptors with LRF encode the spatial distribution and/or geometric information of the neighboring points with respect to the defined LRF (Section 2.1.2). Examples include spin image (Johnson and Hebert, 1999), Intrinsic Shape Signatures (ISS) (Zhong, 2009) and MeshHOG (Zaharescu et al., 2012). However, most of the existing feature descriptors still suffer from either low descriptiveness or weak robustness (Bariya et al., 2012). In this paper we present a highly descriptive and robust feature descriptor together with an efficient 3D object recognition algorithm. This paper first proposes a unique, repeatable and robust LRF for both local feature description and object recognition (Section 3). The LRF is constructed by performing an eigenvalue decomposition on the scatter matrix of all the points lying on the local surface together with a sign disambiguation technique. A novel feature descriptor, namely Rotational Projection Statistics (RoPS), is then presented (Section 4). RoPS exhibits both high discriminative power and strong robustness to noise, varying mesh resolution and a set of deformations. The RoPS feature descriptor is generated by rotationally projecting the neighboring points onto three local coordinate planes and calculating several statistics (e.g, central moment and entropy) of the distribution matrices of the projected points. Finally, this paper presents a novel hierarchical 3D object recognition algorithm based on the proposed LRF and RoPS feature descriptor (Section 6). Comparative experiments on four popular datasets were performed to demonstrate the superiority of the proposed method (Section 7). The rest of this paper is organized as follows. Section 2 provides a brief literature review of local surface feature descriptors and 3D object recognition algorithms. Section 3 introduces a novel technique for LRF definition. Section 4 describes our proposed RoPS method for local surface feature description. Section 5 presents the evaluation results of the RoPS descriptor on two datasets. Section 6 introduces a RoPS based hierarchical algorithm for 3D object recognition. Section 7 presents the results and analysis of our 3D object recognition experiments on four datasets. Section 8 concludes this paper. ## 2 Related Work This section presents a brief overview of the existing main methods for local surface feature description and local feature based 3D object recognition. ### 2.1 Local Surface Feature Description #### 2.1.1 Features without LRF Stein and Medioni (1992) proposed a splash feature by recording the relationship between the normals of the geodesic neighboring points and the feature point. This relationship is then encoded into a 3D vector and finally transformed into curvatures and torsion angles. Hetzel et al. (2001) constructed a set of features by generating histograms using depth values, surface normals, shape indices and their combinations. Results show that the surface normal and shape index exhibit high discrimination capabilities. Yamany and Farag (2002) introduced a surface signature by encoding the surface curvature information into a 2D histogram. This method can be used to estimate scaling transformations as well as recognizing objects in 3D scenes. Chen and Bhanu (2007) proposed a LSP feature that encodes the shape indices and normal deviations of the neighboring points. Flint et al. (2008) introduced a THRIFT feature by calculating a weighted histogram of the deviation angles between the normals of the neighboring points and the feature point. Taati et al. (2007) considered the selection of a good local surface feature for 3D object recognition as an optimization problem and proposed a set of Variable- Dimensional Local Shape Descriptors (VD-LSD). However, the process of selecting an optimized subset of VD-LSDs for a specific object is very time consuming (Taati and Greenspan, 2011). Kokkinos et al. (2012) proposed a generalization of 2D shape context feature (Belongie et al., 2002) to curved surfaces, namely Intrinsic Shape Context (ISC). The ISC is a meta-descriptor which can be applied to any photometric or geometric field defined on a surface. Without LRF, most of these methods generate a feature descriptor by accumulating certain geometric attributes (e.g., normal, curvature) into a histogram. Since most of the 3D spatial information is discarded during the process of histogramming, the descriptiveness of the features without LRF is limited (Tombari et al., 2010). #### 2.1.2 Features with LRF Chua and Jarvis (1997) proposed a point signature by using the distances from the neighboring points to their corresponding projections on a fitted plane. One merit of the point signature is that no surface derivative is required. One of its limitations relate to the fact that the reference direction may not be unique. It is also sensitive to mesh resolution (Mian et al., 2010). Johnson and Hebert (1998) used the surface normal as a reference axis and proposed a spin image representation by spinning a 2D image about the normal of a feature point and summing up the number of points falling into the bins of that image. The spin image is one of the most cited methods. But its descriptiveness is relatively low and it is also sensitive to mesh resolution (Zhong, 2009). Frome et al. (2004) also used the normal vector as a reference axis and generated a 3D Shape Context (3DSC) by counting the weighted number of points falling in the neighboring 3D spherical space. However, a reference axis is not a complete reference frame and there is an uncertainty in the rotation around the normal (Petrelli and Di Stefano, 2011). Sun and Abidi (2001) introduced an LRF by using the normal of a feature point and an arbitrarily chosen neighboring point. Based on the LRF, they proposed a descriptor named point’s fingerprint by projecting the geodesic circles onto the tangent plane. It was reported that their approach outperforms the 2D histogram based methods. One major limitation of this method is that their LRF is not unique (Tombari et al., 2010). Mian et al. (2006b) proposed a tensor representation by defining an LRF for a pair of oriented points and encoding the intersected surface area into a multidimensional table. This representation is robust to noise, occlusion and clutter. However, a pair of points are required to define an LRF, which causes a combinatorial explosion (Zhong, 2009). Novatnack and Nishino (2008) used the surface normal and a projected eigenvector on the tangent plane to define an LRF. They proposed an EM descriptor by encoding the surface normals of the neighboring points into a 2D domain. The effectiveness of exploiting geometric scale variability in the EM descriptor has been demonstrated. Zhong (2009) introduced an LRF by calculating the eigenvectors of the scatter matrix of the neighboring points of a feature point, and proposed an ISS feature by recording the point distribution in the spherical angular space. Since the sign of the LRF is not defined unambiguously, four feature descriptors can be generated from a single feature point. Mian et al. (2010) proposed a keypoint detection method and used a similar LRF to Zhong (2009) for their feature description. Tombari et al. (2010) analyzed the strong impact of LRF on the performance of feature descriptors and introduced a unique and unambiguous LRF by performing an eigenvalue decomposition on the scatter matrix of the neighboring points and using a sign disambiguation technique. Based on the proposed LRF, they introduced a feature descriptor called Signature of Histograms of OrienTations (SHOT). SHOT is very robust to noise, but sensitive to mesh resolution variation. Petrelli and Di Stefano (2011) proposed a novel LRF which aimed to estimate a repeatable LRF at the border of a range image. Zaharescu et al. (2012) proposed a MeshHOG feature by first projecting the gradient vectors onto three planes defined by an LRF and then calculating a two-level histogram of these vectors. However, none of the existing LRF definition techniques is simultaneously unique, unambiguous, and robust to noise and mesh resolution. Besides, most of the existing feature descriptors suffer from a number of limitations, including a low robustness and discriminating power (Bariya et al., 2012). ### 2.2 3D Object Recognition Most of the existing algorithms for local feature based 3D object recognition follow a three-phase paradigm including feature matching, hypothesis generation and verification, and pose refinement (Taati and Greenspan, 2011). Stein and Medioni (1992) used the splash features to represent the objects and generated hypotheses by using a set of triplets of feature correspondences. These hypotheses are then grouped into clusters using geometric constraints. They are finally verified through a least square calculation. Chua and Jarvis (1997) used point signatures of a scene to match them against those of their models. The rigid transformation between the scene and a candidate model was then calculated using three pairs of corresponding points. Its ability to recognize objects in both single-object and multi-object scenes has been demonstrated. However, verifying each triplet of feature correspondences is very time consuming. Johnson and Hebert (1999) generated point correspondences by matching the spin images of the scene with the spin images of the models. These point correspondences are first grouped using geometric consistency. The groups are then used to calculate rigid transformations, which are finally be verified. This algorithm is robust to clutter and occlusion, and capable to recognize objects in complicated real scenes. Yamany and Farag (2002) used surface signatures as feature descriptors and adopted a similar strategy to Johnson and Hebert (1999) for object recognition. Mian et al. (2006b) obtained feature correspondences and model hypothesis by matching the tensor representations of the scene with those of the models. The hypothesis model is then transformed to the scene and finally verified using the Iterative Closest Point (ICP) algorithm (Besl and McKay, 1992). Experimental results revealed that it is superior in terms of recognition rate and efficiency compared to the spin image based algorithm. Mian et al. (2010) also developed a 3D object recognition algorithm based on keypoint matching. This algorithm can be used to recognize objects at different and unknown scales. Taati and Greenspan (2011) developed a 3D object recognition algorithm based on their proposed VD- LSD feature descriptors. The optimal VD-LSD descriptor is selected based on the geometry of the objects and the characteristics of the range sensors. Bariya et al. (2012) introduced a 3D object recognition algorithm based on the EM feature descriptor and a constrained interpretation tree. There are some algorithms in the literature which do not follow the aforementioned three-phase paradigm. For example, Frome et al. (2004) performed 3D object recognition using the sum of the distances between the scene features (i.e. 3DSC) and their corresponding model features. This algorithm is efficient. However, it is not able to segment the recognized object from a scene, and its effectiveness on real data has not been demonstrated. Shang and Greenspan (2010) proposed a Potential Well Space Embedding (PWSE) algorithm for real-time 3D object recognition in sparse range images. It cannot however handle clutter and therefore requires the objects to be segmented a priori from the scene. None of the existing object recognition algorithms has explicitly explored the use of LRF to boost the performance of the recognition. Moreover, most of these algorithms require three pairs of feature correspondences to establish a transformation between a model and a scene. This not only increases the run time due to the combinatorial explosion of the matching pairs, but also decreases the precision of the estimated transformation (since the chance to find three correct feature correspondences is much lower compared to finding only one correct correspondence). ### 2.3 Paper Contributions This paper is an extended version of (Guo et al., 2013a, b). It has three major contributions, which are summarized as follows. i) We introduce a unique, unambiguous and robust 3D LRF using all the points lying on the local surface rather than just the mesh vertices. Therefore, our proposed LRF is more robust to noise and varying mesh resolution. We also use a novel sign disambiguation technique, our proposed LRF is therefore unique and unambiguous. This LRF offers a solid foundation for effective and robust feature description and object recognition. ii) We introduce a highly descriptive and robust RoPS feature descriptor. RoPS is generated by rotationally projecting the neighboring points onto three coordinate planes and encoding the rich information of the point distribution into a set of statistics. The proposed RoPS descriptor has been evaluated on two datasets. Experimental results show that RoPS achieved a high power of descriptiveness. It is shown to be robust to a number of deformations including noise, varying mesh resolution, rotation, holes and topology changes. (see Section 5 for details) . iii) We introduce an efficient hierarchical 3D object recognition algorithm based on the LRF and RoPS feature descriptor. One major advantage of our algorithm is, a single correct feature correspondence is sufficient for object recognition. Moreover, by integrating our robust LRF, the proposed object recognition algorithm can work with any of the existing feature descriptors (e.g., spin image) in the literature. Rigorous evaluations of the proposed 3D object recognition algorithm were conducted on four different popular datasets. Experimental results show that our algorithm achieved high recognition rates, good efficiency and strong robustness to different nuisances. It consistently resulted in the best recognition results on the four datasets. ## 3 Local Reference Frame A unique, repeatable and robust LRF is important for both effective and efficient feature description and 3D object recognition. Advantages of such an LRF are many fold. First, the repeatability of an LRF directly affects the descriptiveness and robustness of the feature descriptor, i.e., an LRF with a low repeatability will result in a poor performance of feature matching (Petrelli and Di Stefano, 2011). Second, compared with the methods which associate multiple descriptors to a single feature point (e.g., ISS (Zhong, 2009)), a unique LRF can help to improve both the precision and the efficiency of feature matching (Tombari et al., 2010). Third, a robust 3D LRF helps to boost the performance of 3D object recognition. We propose a novel LRF by fully employing the point localization information of the local surface. The three axes for the LRF are determined by performing an eigenvalue decomposition on the scatter matrix of all points lying on the local surface. The sign of each axis is disambiguated by aligning the direction to the majority of the point scatter. ### 3.1 Coordinate Axis Construction Given a feature point $\boldsymbol{p}$ and a support radius $r$, the local surface mesh $S$ which contains $N$ triangles and $M$ vertices, is cropped from the range image using a sphere of radius $r$ centered at $\boldsymbol{p}$. For the $i$th triangle with vertices $\boldsymbol{p}_{i1}$, $\boldsymbol{p}_{i2}$ and $\boldsymbol{p}_{i3}$, a point lying within the triangle can be represented as: $\boldsymbol{p}_{i}\left(s,t\right)=\boldsymbol{p}_{i1}+s(\boldsymbol{p}_{i2}-\boldsymbol{p}_{i1})+t\left(\boldsymbol{p}_{i3}-\boldsymbol{p}_{i1}\right),$ (1) where $0\leq s,t\leq 1$, and $s+t\leq 1$, as illustrated in Fig. 1. Figure 1: An illustration of a triangle mesh and a point lying on the surface. An arbitrary point within a triangle can be represented by the triangle’s vertices. (a) Armadillo (b) Asia Dragon (c) Bunny (d) Dragon (e) Happy Buddha (f) Thai Statue Figure 2: The six models of the Tuning Dataset. The scatter matrix $\mathbf{C}_{i}$ of all the points lying within the $i$th triangle can be calculated as: $\mathbf{C}_{i}=\frac{\int_{0}^{1}\int_{0}^{1-s}\left(\boldsymbol{p}_{i}\left(s,t\right)-\boldsymbol{p}\right)\left(\boldsymbol{p}_{i}\left(s,t\right)-\boldsymbol{p}\right)^{\textrm{T}}dtds}{\int_{0}^{1}\int_{0}^{1-s}dtds}.$ (2) Using Eq. 1, the scatter matrix $\mathbf{C}_{i}$ be can expressed as: $\displaystyle\mathbf{C}_{i}$ $\displaystyle=$ $\displaystyle\frac{1}{12}\sum_{j=1}^{3}\sum_{k=1}^{3}\left(\boldsymbol{p}_{ij}-\boldsymbol{p}\right)\left(\boldsymbol{p}_{ik}-\boldsymbol{p}\right)^{\textrm{T}}$ (3) $\displaystyle+\frac{1}{12}\sum_{j=1}^{3}\left(\boldsymbol{p}_{ij}-\boldsymbol{p}\right)\left(\boldsymbol{p}_{ij}-\boldsymbol{p}\right)^{\textrm{T}}.$ The overall scatter matrix $\mathbf{C}$ of the local surface S is calculated as the weighted sum of the scatter matrices of all the triangles, that is: $\mathbf{C}=\sum_{i=1}^{N}w_{i1}w_{i2}\mathbf{C}_{i},$ (4) where $N$ is the number of triangles in the local surface $S$. Here, $w_{i1}$ is the ratio between the area of the $i$th triangle and the total area of the local surface $S$, that is: $w_{i1}=\frac{\left|\left(\boldsymbol{p}_{i2}-\boldsymbol{p}_{i1}\right)\times\left(\boldsymbol{p}_{i3}-\boldsymbol{p}_{i1}\right)\right|}{\sum_{i=1}^{N}\left|\left(\boldsymbol{p}_{i2}-\boldsymbol{p}_{i1}\right)\times\left(\boldsymbol{p}_{i3}-\boldsymbol{p}_{i1}\right)\right|},$ (5) where $\times$ denotes the cross product. $w_{i2}$ is a weight that is related to the distance from the feature point to the centroid of the $i$th triangle, that is: $w_{i2}=\left(r-\left|\boldsymbol{p}-\frac{\boldsymbol{p}_{i1}+\boldsymbol{p}_{i2}+\boldsymbol{p}_{i3}}{3}\right|\right)^{2}.$ (6) Note that, the first weight $w_{i1}$ is expected to improve the robustness of LRF to varying mesh resolutions, since a compensation with respect to the triangle area is incorporated through this weighting. The second weight $w_{i2}$ is expected to improve the robustness of LRF to occlusion and clutter, since distant points will contribute less to the overall scatter matrix. We then perform an eigenvalue decomposition on the overall scatter matrix $\mathbf{C}$, that is: $\mathbf{C}\mathbf{V}=\mathbf{EV},$ (7) where $\mathbf{E}$ is a diagonal matrix of the eigenvalues $\left\\{\lambda_{1},\lambda_{2},\lambda_{3}\right\\}$ of the matrix $\mathbf{C}$, and $\mathbf{V}$ contains three orthogonal eigenvectors $\left\\{\boldsymbol{v}_{1},\boldsymbol{v}_{2},\boldsymbol{v}_{3}\right\\}$ that are in the order of decreasing magnitude of their associated eigenvalues. The three eigenvectors offer a basis for LRF definition. However, the signs of these vectors are numerical accidents and are not repeatable between different trials even on the same surface (Bro et al., 2008; Tombari et al., 2010). We therefore propose a novel sign disambiguation technique which is described in the next subsection. It is worth noting that, although some existing techniques also use the idea of eigenvalue decomposition to construct the LRF (e.g., (Mian et al., 2010; Tombari et al., 2010; Zhong, 2009)), they calculate the scatter matrix using just the mesh vertices. Instead, our technique employs all the points in the local surface and, is therefore more robust compared to exiting techniques (as demonstrated in Section 3.3). ### 3.2 Sign Disambiguation In order to eliminate the sign ambiguity of the LRF, each eigenvector should point in the major direction of the scatter vectors (which start from the feature point and point in the direction of the points lying on the local surface). Therefore, the sign of each eigenvector is determined from the sign of the inner product of the eigenvector and the scatter vectors. Specifically, the unambiguous vector $\widetilde{\boldsymbol{v}_{1}}$ is defined as: $\widetilde{\boldsymbol{v}_{1}}=\boldsymbol{v}_{1}\cdot\textrm{sign}\left(h\right),$ (8) where $\mathrm{sign\left(\cdot\right)}$ denotes the signum function that extracts the sign of a real number, and $h$ is calculated as: $\displaystyle h$ $\displaystyle=$ $\displaystyle\sum_{i=1}^{N}w_{i1}w_{i2}\left(\int_{0}^{1}\int_{0}^{1-s}\left(\boldsymbol{p}_{i}\left(s,t\right)-\boldsymbol{p}\right)\boldsymbol{v}_{1}dtds\right)$ (9) $\displaystyle=$ $\displaystyle\sum_{i=1}^{N}w_{i1}w_{i2}\left(\frac{1}{6}\sum_{j=1}^{3}\left(\boldsymbol{p}_{ij}-\boldsymbol{p}\right)\boldsymbol{v}_{1}\right).$ Similarly, the unambiguous vector $\widetilde{\boldsymbol{v}_{3}}$ is defined as: $\widetilde{\boldsymbol{v}_{3}}=\boldsymbol{v}_{3}\cdot\textrm{sign}\left(\sum_{i=1}^{N}w_{i1}w_{i2}\left(\frac{1}{6}\sum_{j=1}^{3}\left(\boldsymbol{p}_{ij}-\boldsymbol{p}\right)\boldsymbol{v}_{3}\right)\right).$ (10) Given two unambiguous vectors $\widetilde{\boldsymbol{v}_{1}}$ and $\widetilde{\boldsymbol{v}_{3}}$, $\widetilde{\boldsymbol{v}_{2}}$ is defined as $\widetilde{\boldsymbol{v}_{3}}\times\widetilde{\boldsymbol{v}_{1}}$. Therefore, a unique and unambiguous 3D LRF for feature point $\boldsymbol{p}$ is finally defined. Here, $\boldsymbol{p}$ is the origin, and $\widetilde{\boldsymbol{v}_{1}}$, $\widetilde{\boldsymbol{v}_{2}}$ and $\widetilde{\boldsymbol{v}_{3}}$ are the $x$, $y$ and $z$ axes respectively. With this LRF, a unique, pose invariant and highly discriminative local feature descriptor can now be generated. ### 3.3 Performance of the Proposed LRF To evaluate the repeatability and robustness of our proposed LRF, we calculated the LRF errors between the corresponding points in the scenes and models. The six models (i.e., “Armadillo”, “Asia Dragon”, “Bunny”, “Dragon”, “Happy Buddha” and “Thai Statue”) used in this experiment were taken from the Stanford 3D Scanning Repository (Curless and Levoy, 1996). They are shown in Fig. 2. The six scenes were created by resampling the models down to $\nicefrac{{1}}{{2}}$ of their original mesh resolution and then adding Gaussian noise with a standard deviation of 0.1 mesh resolution (mr) to the data. We refer to this dataset as the “Tuning Dataset” in the rest of this paper. We randomly selected 1000 points in each model and we refer to these points as feature points. We then obtained the corresponding points in the scene by searching the points with the smallest distances to the feature points in the model. For each point pair $\left(\boldsymbol{p}_{Si},\boldsymbol{p}_{Mi}\right)$, we calculated the LRFs for both points, denoted as $\mathbf{L}_{Si}$ and $\mathbf{L}_{Mi}$, respectively. Using the similar criterion as in (Mian et al., 2006a), the error between two LRFs of the $i$th point pair can be calculated by: $\epsilon_{i}=\arccos\left(\frac{\textrm{trace}\left(\mathbf{L}_{Si}\mathbf{L}_{Mi}^{-1}\right)-1}{2}\right)\frac{180}{\pi},$ (11) where $\epsilon_{i}$ represents the amount of rotation error between two LRFs and is zero in the case of no error. Our proposed LRF technique was tested on the Tuning Dataset with comparison to several existing techniques, e.g., proposed by Novatnack and Nishino (2008), Mian et al. (2010), Tombari et al. (2010), and Petrelli and Di Stefano (2011). We tested each LRF technique five times by randomly selecting 1000 different point pairs each time. The overall LRF errors of each technique are shown in Fig. 3 as a histogram. Ideally, all of the LRF errors should lie around the zero value (in the first bin of the histogram). It is clear that our proposed technique performed best, with 83.5% of the point pairs having LRF errors less than 10 degrees. Whereas the second best one (i.e., proposed by Petrelli and Di Stefano (2011)) secured only 43.2% of the point pairs with LRF errors less than 10 degrees. Other techniques only had around 40% point pairs with LRF errors less than 10 degrees. These results clearly indicate that our proposed LRF is more repeatable and more robust than the state-of-the-art in the presence of noise and mesh resolution variation. In order to further assess the influence of a weighting strategy, we used a distance weight $w_{i3}=r-\left|\boldsymbol{p}-\frac{\boldsymbol{p}_{i1}+\boldsymbol{p}_{i2}+\boldsymbol{p}_{i3}}{3}\right|$ (following the approach of (Tombari et al., 2010)) to replace the weights $w_{i1}$ and $w_{i2}$ in Equations 4, 9 and 10, resulting in a modified LRF. The histogram of LRF errors of the modified technique is shown in Fig. 3. The performance of the modified LRF decreased significantly compared to the original proposed LRF. This observation reveals that the weighting strategy using both quadratic distance weight $w_{i2}$ and area weight $w_{i1}$ produced more robust results compared to those using only a linear distance weight $w_{i3}$. Fig. 3 shows that part of the LRF errors of each technique are larger than 80 degrees. This is mainly due to the presence of local symmetrical surfaces (e.g., flat or spherical surfaces) in the scenes. For a local symmetrical surface, there is an inherent sign ambiguity of its LRF because the distribution of points is almost the same in all directions. In order to deal with this case, we adopt a feature point selection technique which uses the ratio of eigenvalues to avoid local symmetrical surfaces (see Section 6.2). Once an LRF is determined, the next step is to define a local surface descriptor. In the next section, we propose a novel RoPS descriptor. ## 4 Local Surface Description A local surface descriptor needs to be invariant to rotation and robust to noise, varying mesh resolution, occlusion, clutter and other nuisances. In this section, we propose a novel local surface feature descriptor namely RoPS by performing local surface rotation, neighboring points projection and statistics calculation. ### 4.1 RoPS Feature Descriptor An illustrative example of the overall RoPS method is given in Fig. 4. From a range image/model, a local surface is selected for a feature point $\boldsymbol{p}$ given a support radius $r$. Figures 4(a) and (b) respectively show a model and a local surface. We already have defined the LRF for $\boldsymbol{p}$ and the vertices of the triangles in the local surface $S$ constitute a pointcloud $\mathbf{Q}=\left\\{\boldsymbol{q}_{1},\boldsymbol{q}_{2},\ldots,\boldsymbol{q}_{M}\right\\}$. The pointcloud $\mathbf{Q}=\left\\{\boldsymbol{q}_{1},\boldsymbol{q}_{2},\ldots,\boldsymbol{q}_{M}\right\\}$ is then transformed with respect to the LRF in order to achieve rotation invariance, resulting in a transformed pointcloud $\mathbf{Q}^{\prime}=\left\\{\boldsymbol{q}_{1}^{\prime},\boldsymbol{q}_{2}^{\prime},\ldots,\boldsymbol{q}_{M}^{\prime}\right\\}$. We then follow a number of steps which are described as follows. Figure 3: Histogram of the LRF errors for the six scenes and models of the Tuning Dataset. Our proposed technique outperformed the existing techniques by a large margin. (Figure best seen in color.) Figure 4: An illustration of the generation of a RoPS feature descriptor for one rotation. (a) The Armadillo model and the local surface around a feature point. (b) The local surface is cropped and transformed in the LRF. (c) The local surface is rotated around a coordinate axis. (d) The neighboring points are projected onto three 2D planes. (e) A distribution matrix is obtained for each plane by partitioning the 2D plane into bins and counting up the number of points falling into each bin. The dark color indicates a large number. (f) Each distribution matrix is then encoded into several statistics. (g) The statistics from three distribution matrices are concatenated to form a sub-feature descriptor for one rotation. (Figure best seen in color.) First, the pointcloud is rotated around the $x$ axis by an angle $\theta_{k}$, resulting in a rotated pointcloud $\mathbf{Q}^{\prime}\left(\theta_{k}\right)$, as shown in Fig. 4(c). This pointcloud $\mathbf{Q}^{\prime}\left(\theta_{k}\right)$ is then projected onto three coordinate planes (i.e., the $xy$, $xz$ and $yz$ planes) to obtain three projected pointclouds $\widetilde{\mathbf{Q}^{\prime}}_{i}\left(\theta_{k}\right),i=1,2,3$. Note that, the projection offers a means to describe the 3D local surface in a concise and efficient manner. That is because 2D projections clearly preserve a certain amount of unique 3D geometric information of the local surface from that particular viewpoint. Next, for each projected pointcloud $\widetilde{\mathbf{Q}^{\prime}}_{i}\left(\theta_{k}\right)$, a 2D bounding rectangle is obtained, which is subsequently divided into $L\times L$ bins, as shown in Fig. 4(d). The number of points falling into each bin is then counted to yield an $L\times L$ matrix $\mathbf{D}$, as shown in Fig. 4(e). We refer to the matrix $\mathbf{D}$ as a “distribution matrix” since it represents the 2D distribution of the neighboring points. The distribution matrix $\mathbf{D}$ is further normalized such that the sum of all bins is equal to one in order to achieve invariance to variations in mesh resolution. The information in the distribution matrix $\mathbf{D}$ is further condensed in order to achieve computational and storage efficiency. In this paper, a set of statistics is extracted from the distribution matrix $\mathbf{D}$, including central moments (Demi et al., 2000; Hu, 1962) and Shannon entropy (Shannon, 1948). The central moments are utilized for their mathematical simplicity and rich descriptiveness (Hu, 1962), while Shannon entropy is selected for its strong power to measure the information contained in a probability distribution (Shannon, 1948). The central moment $\mu_{mn}$ of order $m+n$ of matrix $\mathbf{D}$ is defined as: $\mu_{mn}=\sum_{i=1}^{L}\sum_{j=1}^{L}\left(i-\bar{i}\right)^{m}\left(j-\bar{j}\right)^{n}\mathbf{D}\left(i,j\right),$ (12) where $\bar{i}=\sum_{i=1}^{L}\sum_{j=1}^{L}i\mathbf{D}\left(i,j\right),$ (13) and $\bar{j}=\sum_{i=1}^{L}\sum_{j=1}^{L}j\mathbf{D}\left(i,j\right).$ (14) The Shannon entropy $e$ is calculated as: $e=-\sum_{i=1}^{L}\sum_{j=1}^{L}\mathbf{D}\left(i,j\right)\log\left(\mathbf{D}\left(i,j\right)\right).$ (15) Theoretically, a complete set of central moments can be used to uniquely describe the information contained in a matrix (Hu, 1962). However in practice, only a small subset of the central moments can sufficiently represent the distribution matrix $\mathbf{D}$. These selected central moments together with the Shannon entropy are then used to form a statistics vector, as shown in Fig. 4(f). The three statistics vectors from the $xy$, $xz$ and $yz$ planes are then concatenated to form a sub-feature $\boldsymbol{f}_{x}\left(\theta_{k}\right)$. Note that $\boldsymbol{f}_{x}\left(\theta_{k}\right)$ denotes the total statistics for the $k$th rotation around the $x$ axis, as shown in Fig. 4(g). In order to encode the “complete” information of the local surface, the pointcloud $\mathbf{Q}^{\prime}$ is rotated around the $x$ axis by a set of angles $\left\\{\theta_{k}\right\\},k=1,2,\ldots,T$, resulting in a set of sub-features $\left\\{\boldsymbol{f}_{x}\left(\theta_{k}\right)\right\\},k=1,2,\ldots,T$. Further, $\mathbf{Q}^{\prime}$ is rotated by a set of angles around the $y$ axis and a set of sub-features $\left\\{\boldsymbol{f}_{y}\left(\theta_{k}\right)\right\\},k=1,2,\ldots,T$ is calculated. Finally, $\mathbf{Q}^{\prime}$ is rotated by a set of angles around the $z$ axis and a set of sub-features $\left\\{\boldsymbol{f}_{z}\left(\theta_{k}\right)\right\\},k=1,2,\ldots,T$ is calculated. The overall feature descriptor is then generated by concatenating the sub-features of all the rotations into a vector, that is: $\boldsymbol{f}=\left\\{\boldsymbol{f}_{x}\left(\theta_{k}\right),\boldsymbol{f}_{y}\left(\theta_{k}\right),\boldsymbol{f}_{z}\left(\theta_{k}\right)\right\\},k=1,2,\ldots,T.$ (16) It is expected that the RoPS descriptor would be highly discriminative (as demonstrated in Section 5) since it encodes the geometric information of a local surface from a set of viewpoints. Note that, some existing view-based methods can be found in the literature, such as (Yamauchi et al., 2006), (Ohbuchi et al., 2008) and (Atmosukarto and Shapiro, 2010). However, these methods are based on global features and originate from the 3D shape retrieval area. They are, however, not suitable for 3D object recognition due to their sensitivity to occlusion and clutter. Other related methods, however, include the spin image (Johnson and Hebert, 1999) and snapshot (Malassiotis and Strintzis, 2007) descriptors. A spin image is generated by projecting a local surface onto a 2D plane using a cylindrical parametrization. Similarly, a snapshot is obtained by rendering a local surface from the viewpoint which is perpendicular to the surface. Our RoPS differs from these methods in several aspects. First, RoPS represents a local surface from a set of viewpoints rather than just one view (as in the case of spin image and snapshot). Second, RoPS is associated with a unique and unambiguous LRF, and it is invariant to rotation. In contrast, spin image discards cylindrical angular information and snapshot is prone to rotation. Third, RoPS is more compact than spin image and snapshot since RoPS further encodes 2D matrices with a set of statistics. The typical lengths of RoPS, spin image and snapshot are 135, 225 and 1600, respectively (see Table 2, (Johnson and Hebert, 1999) and (Malassiotis and Strintzis, 2007)). ### 4.2 RoPS Generation Parameters The RoPS feature descriptor has four parameters: i) the combination of statistics, ii) the number of partition bins $L$, iii) the number of rotations $T$ around each coordinate axis, and iv) the support radius $r$. The performance of RoPS descriptor against different settings of these parameters was tested on the Tuning Dataset using the criterion of Recall vs 1-Precision Curve (RP Curve). RP Curve is one of the most popular criteria used for the assessment of a feature descriptor (Flint et al., 2008; Hou and Qin, 2010; Ke and Sukthankar, 2004; Mikolajczyk and Schmid, 2005). It is calculated as follows: given a scene, a model and the ground truth transformation, a scene feature is matched against all model features to find the closest feature. If the ratio between the smallest distance and the second smallest one is less than a threshold, then the scene feature and the closest model feature are considered a match. Further, a match is considered a true positive only if the distance between the physical locations of the two features is sufficiently small, otherwise it is considered a false positive. Therefore, recall is defined as: $\textrm{recall}=\frac{\textrm{the number of true positives}}{\textrm{total number of positives}}.$ (17) 1-precision is defined as: $\textrm{1-precision}=\frac{\textrm{the number of false positives}}{\textrm{total number of matches}}.$ (18) By varying the threshold, a RP Curve can be generated. Ideally, a RP Curve would fall in the top left corner of the plot, which means that the feature obtains both high recall and precision. (a) (b) (c) (d) Figure 5: Effect of the RoPS generation parameters. (a) Different combinations of statistics. (b) The number of partition bins $L$. There is a twin plot in (b), where the right plot is a magnified version of the region indicated by the rectangle in the left plot. (c) The number of rotations $T$. There is a twin plot in (c), where the right plot is a magnified version of the region indicated by the rectangle in the left plot. (d) The support radius $r$. (We chose the No.6 combination of the statistics and set $L=5$, $T=3$ and $r=15$mr in this paper as a tradeoff between effectiveness and efficiency. Figure best seen in color.) #### 4.2.1 The Combination of Statistics The selection of the subset of statistics plays an important role in the generation of a RoPS feature descriptor. It determines not only the capability for encapsulating the information in a distribution matrix but also the size of a feature vector. We considered eight combinations of statistics (a number of low-order moments and entropy), as listed in Table 1, and tested the performance for each combination in the terms of RP Curve. The other three parameters were set constant as $L=5$, $T=3$ and $r=15$mr. It is worth noting that the zeroth-order central moment $\mu_{00}$ and the first-order central moments $\mu_{01}$ and $\mu_{10}$ were excluded from the combinations of the statistics. Because these moments are constant (i.e., $\mu_{00}=1$, $\mu_{01}=0$ and $\mu_{10}=0$) and therefore contain no information of the local surface. Our experimental results are shown in Fig. 5(a). Table 1: Different combinations of the statistics. No. | Combination of the statistics ---|--- 1 | $\mu_{02},\mu_{11},\mu_{20}$ 2 | $\mu_{02},\mu_{11},\mu_{20}$,$\mu_{03},\mu_{12},\mu_{21},\mu_{30}$ 3 | $\mu_{02},\mu_{11},\mu_{20}$,$\mu_{03},\mu_{12},\mu_{21},\mu_{30}$,$\mu_{04},\mu_{13},\mu_{22},\mu_{31},\mu_{40}$ 4 | $\mu_{02},\mu_{11},\mu_{20}$,$\mu_{03},\mu_{12},\mu_{21},\mu_{30}$,$\mu_{04},\mu_{13},\mu_{22},\mu_{31},\mu_{40},e$ 5 | $\mu_{11},\mu_{21},\mu_{12},\mu_{22}$ 6 | $\mu_{11},\mu_{21},\mu_{12},\mu_{22},e$ 7 | $\mu_{11},\mu_{21},\mu_{12},\mu_{22},\mu_{31},\mu_{13}$ 8 | $\mu_{11},\mu_{21},\mu_{12},\mu_{22},\mu_{31},\mu_{13},e$ It is clear that the No.6 combination achieved the best performance, followed by the No.5 combination. While the No.3, No.4 and No.8 combinations obtained comparable performance, with recall being a little lower than the No.6 combination. The superior performance of the No.6 combination is due to the facts that, first, the low-order moments $\mu_{11},\mu_{21},\mu_{12},\mu_{22}$ and entropy $e$ contain the most meaningful and significant information of the distribution matrix. Consequently, the descriptiveness of these statistics is sufficiently high. Second, the low-order moments are more robust to noise and varying mesh resolution compared to the high-order moments. Beyond the high precision and recall, the size of the No.6 combination is also small, which means that the calculation and matching of feature descriptors can be performed efficiently. Therefore, the No.6 combination, i.e., $\left\\{\mu_{11},\mu_{21},\mu_{12},\mu_{22},e\right\\}$, was selected to represent the information in a distribution matrix and to form the RoPS descriptor. #### 4.2.2 The Number of Partition Bins The number of partition bins $L$ is another important parameter in the RoPS generation. It determines both the descriptiveness and robustness of a descriptor. That is, a dense partition of the projected points offers more details about the point distribution, it however increases the sensitivity to noise and varying mesh resolution. We tested the performance of RoPS descriptor on the Tuning Dataset with respect to a number of partition bin, while the two other parameters were set to $T=3$ and $r=15$mr. The experimental results are shown in Fig. 5(b) as a twin plot, where the right plot is a magnified version of the region indicated by the rectangle in the left plot. The plot shows that the performance of RoPS descriptor improved as the number of partition bins increased from 3 to 5. This is because more details about the point distribution were encoded into the feature descriptor. However, for a number of partition bins larger than 5, the performance degraded as the number of partition bins increased. This is due to the reason that a dense partition makes the distribution matrix more susceptible to the variation of spatial position of the neighboring points. It can therefore be inferred that 5 is the most suitable number of partitions as a tradeoff between the descriptiveness and the robustness to noise and varying mesh resolution. We therefore used $L=5$ in this paper. #### 4.2.3 The Numbers of Rotations The number of rotations $T$ determines the “completeness” when describing the local surface using a RoPS feature descriptor. That is, increasing the number of rotations means that more information of the local surface are encoded into the overall feature descriptor. We tested the performance of the RoPS feature descriptor with respect to a varying number of rotations while keeping the other parameters constant (i.e., $r=15$mr). The results are given in Fig. 5(c) as a twin plot, where the right plot is a magnified version of the region indicated by the rectangle in the left plot. It was found that as the number of rotations increased, the descriptiveness of the RoPS increased, resulting in an improvement of the matching performance (which confirmed our assumption). Specifically, the performance of the RoPS descriptor improved significantly as the number of rotations increased from 1 to 2, as shown in the left plot of Fig. 5(c). The performance then improved slightly as the number of rotations increased from 2 to 6, as indicated in the magnified version shown in the right plot of Fig. 5(c). In fact, there was no notable difference between the performance with respect to the number of rotations of 3 and 6. That is because almost all the information of the local surface is encoded in the feature descriptor by rotating the neighboring points 3 times around each axis. Therefore, increasing the number of rotations any further will not necessarily add any significant information to the feature descriptor. Moreover, increasing the number of rotations will cost more computational and memory resources. We therefore, set the number of rotations to be 3 in this paper. #### 4.2.4 The Support Radius The support radius $r$ determines the amount of surface that is encoded by the RoPS feature descriptor. The value of $r$ can be chosen depending on how local the feature should be, and a tradeoff lies between the feature’s descriptiveness and robustness to occlusion. That is, a large support radius enables the RoPS descriptor to encapsulate more information of the object and therefore provides more descriptiveness. On the other hand, a large support radius increases the sensitivity to occlusion and clutter. We tested the performance of the RoPS feature descriptor with respect to varying support radius while keeping the other parameters fixed. The results are given in Fig. 5(d). The results show that the recall and precision performance of the RoPS feature descriptor improved steadily as the support radius increased from 5mr (mr = mesh resolution) to 25mr. Specifically, there was a significant improvement of the matching performance as the support radius increased from 5mr to 10mr, this is because a radius of 5mr is too small to contain sufficient discriminating information of the underlying surface. The RoPS feature descriptor achieved good results with a support radius of 15mr, achieving a high precision of about 0.9 and a high recall of about 0.9. Although the performance of RoPS feature descriptor further improved slightly as the support radius was increased to 25mr, the performance deteriorated sharply when the support radius was set to 30mr. We choose to set the support radius to 15mr in the paper to maintain a strong robustness to occlusion and clutter. An illustration is shown in Fig. 6. The range image contains two objects in the presence of occlusion and clutter, and a feature point is selected near the tail of the chicken. The red, green and blue spheres, respectively represent the support regions with radius of 25 mr, 15mr and 5mr for the feature point. As the radius increases from 5mr to 25 mr, points on the surface within the support region are more likely to be missing due to occlusion, and points from other objects (e.g., T-rex on the right) are more likely to be included in the support region due to clutter. Therefore, the resulting feature descriptor is more likely to be affected by occlusion and clutter. Figure 6: An illustration of the descriptor’s robustness to occlusion and clutter with respect to varying support radius. The red, green and blue spheres respectively represent the support regions with radius of 25 mr, 15mr and 5mr for a feature point. (Figure best seen in color.) Note that, several adaptive-scale keypoint detection methods have been proposed for the purpose of determining the support radius based on the inherent scale of a feature point (Tombari et al., 2013). However, we simply adopt a fixed support radius since our focus is on feature description and object recognition rather than keypoint detection. Moreover, our proposed RoPS descriptor has been demonstrated to achieve an even better performance compared to the methods with adaptive-scale keypoint detection (e.g., EM matching and keypoint matching), as analyzed in Section 7. ## 5 Performance of the RoPS Descriptor The descriptiveness and robustness of our proposed RoPS feature descriptor was first evaluated on the Bologna Dataset (Tombari et al., 2010) with respect to different levels of noise, varying mesh resolution and their combinations. It was also evaluated on the PHOTOMESH Dataset (Zaharescu et al., 2012) with respect to 13 transformations. In these experiments, the RoPS was compared to several state-of-the-art feature descriptors. ### 5.1 Performance on The Bologna Dataset #### 5.1.1 Dataset and Parameter Setting The Bologna Dataset used in this paper comprises six models and 45 scenes. The six models (i.e., “Armadillo”, “Asia Dragon”, “Bunny”, “Dragon”, “Happy Buddha” and “Thai Statue”) were taken from the Stanford 3D Scanning Repository. They are shown in Fig. 2. Each scene was synthetically generated by randomly rotating and translating three to five models in order to create clutter and pose variances. As a result, the ground truth rotations and translations between each model and its instances in the scenes were known a priori during the process of construction. An example scene is shown in Fig. 7. Figure 7: A scene on the Bologna Dataset. The performance of each feature descriptor was assessed using the criterion of RP Curve (as detailed in Section 4.2). We compared our RoPS feature descriptor with five state-of-the-art feature descriptors, including spin image (Johnson and Hebert, 1999), normal histogram (NormHist) (Hetzel et al., 2001), LSP (Chen and Bhanu, 2007), THRIFT (Flint et al., 2007) and SHOT (Tombari et al., 2010). The support radius $r$ for all methods was set to be 15mr as a compromise between the descriptiveness and the robustness to occlusion. The parameters for generating all these feature descriptors were tuned by optimizing the performance in terms of RP Curve on the Tuning Dataset. The tuned parameter settings for all feature descriptors are presented in Table 2. Table 2: Tuned parameter settings for six feature descriptors. | Support Radius | Dimensionality | Length ---|---|---|--- Spin image | 15mr | 15*15 | 225 NormHist | 15mr | 15*15 | 225 LSP | 15mr | 15*15 | 225 THRIFT | 15mr | 32*1 | 32 SHOT | 15mr | 8*2*2*10 | 320 RoPS | 15mr | 3*3*3*5 | 135 In order to avoid the impact of the keypoint detection method on feature’s descriptiveness, we randomly selected 1000 feature points from each model, and extracted their corresponding points from the scene. We then employed the methods listed in Table 2 to extract feature descriptors for these feature points. Finally, we calculated a RP Curve for each feature descriptor to evaluate the performance. #### 5.1.2 Robustness to Noise (a) Noise free (b) Noise with a standard deviation of 0.1mr (c) Noise with a standard deviation of 0.2mr (d) Noise with a standard deviation of 0.3mr (e) Noise with a standard deviation of 0.4mr (f) Noise with a standard deviation of 0.5mr Figure 8: Recall vs 1-Precision curves in the presence of noise. (Figure best seen in color.) (a) $\nicefrac{{1}}{{2}}$ mesh decimation (b) $\nicefrac{{1}}{{4}}$ mesh decimation (c) $\nicefrac{{1}}{{8}}$ mesh decimation (d) $\nicefrac{{1}}{{2}}$ mesh decimation and 0.1mr Gaussian noise Figure 9: Recall vs 1-Precision curves with respect to mesh resolution. (Figure best seen in color.) In order to evaluate the robustness of these feature descriptors to noise, we added a Gaussian noise with increasing standard deviation of 0.1mr, 0.2mr, 0.3mr, 0.4mr and 0.5mr to the scene data. The RP Curves under different levels of noise are presented in Fig. 8. We made a number of observations. i) These feature descriptors achieved comparable performance on noise free data, with high recall together with high precision, as shown in Fig. 8(a). ii) With noise, our proposed RoPS feature descriptor achieved the best performance in most cases, and is followed by SHOT. Specifically, the performance of RoPS is better than SHOT under a low-level noise with a standard deviation of 0.1mr, as shown in Fig. 8(b). As the standard deviation of the noise increased to 0.2mr and 0.3mr, SHOT performed slightly better than RoPS, as indicated in Figures 8(c) and (d). However, the performance of our proposed RoPS was significantly better than SHOT under high levels of noise, e.g., with a noise deviation larger than 0.3mr, as shown in Figures 8(e) and (f). It can be inferred that RoPS is very robust to noise, particularly in the case of scenes with a high level of noise. iii) As the noise level increased, the performance of LSP and THRIFT deteriorated sharply, as shown in Figures 8(b-e). THRIFT failed to work even under a low-level of noise with a standard deviation of 0.1mr. This result is also consistent with the conclusion given in (Flint et al., 2008). Although NormHist and spin image worked relatively well under low- and medium-level noise with a standard deviation less than 0.2mr, they failed completely under noise with a large standard deviation. The sensitivity of spin image, NormHist, THR-IFT and LSP to noise is due to the fact that, they rely on surface normals to generate their feature descriptors. Since the calculation of surface normal includes a process of differentiation, it is very susceptible to noise. iv) The strong robustness of our RoPS feature descriptor to noise can be explained by at least three facts. First, RoPS encodes the “complete” information of the local surface from various viewpoints through rotation and therefore, encodes more information than the existing methods. Second, RoPS only uses the low-order moments of the distribution matrices to form its feature descriptor and is therefore less affected by noise. Third, our proposed unique, unambiguous and stable LRF also helps to increase the descriptiveness and robustness of the RoPS feature descriptor. #### 5.1.3 Robustness to Varying Mesh Resolution In order to evaluate the robustness of these feature descriptors to varying mesh resolution, we resampled the noise free scene meshes to $\nicefrac{{1}}{{2}}$, $\nicefrac{{1}}{{4}}$ and $\nicefrac{{1}}{{8}}$ of their original mesh resolution. The RP Curves under different levels of mesh decimation are presented in Figures 9(a-c). It was found that our proposed RoPS feature descriptor outperformed all the other descriptors by a large margin under all levels of mesh decimation. It is also notable that the performance of our RoPS feature descriptor with $\nicefrac{{1}}{{8}}$ of original mesh resolution was even comparable to the best results given by the existing feature descriptors with $\nicefrac{{1}}{{2}}$ of original mesh resolution. Specifically, RoPS obtained a precision more than 0.7 and a recall more than 0.7 with $\nicefrac{{1}}{{8}}$ of original mesh resolution, whereas spin image obtained a precision around 0.8 and a recall around 0.8 with $\nicefrac{{1}}{{2}}$ of original mesh resolution, as shown in Figures 9(a) and (c). This indicated that our RoPS feature descriptor is very robust to varying mesh resolution. The strong robustness of RoPS to varying mesh resolution is due to at least two factors. First, the LRF of RoPS is derived by calculating the scatter matrix of all the points lying on the local surface rather than just the vertices, which makes RoPS robust to different mesh resolution. Second, the 2D projection planes are sparsely partitioned and only the low-order moments are used to form the feature descriptor, which further improves the robustness of our method to mesh resolution. #### 5.1.4 Robustness to Combined Noise and Mesh Decimation In order to further test the robustness of these feature descriptors to combined noise and mesh decimation, we resampled the scene meshes down to $\nicefrac{{1}}{{2}}$ of their original mesh resolution and added a Gaussian random noise with a standard deviation of 0.1mr to the scenes. The resulting RP Curves are presented in Fig. 9(d). As shown in Fig. 9(d), RoPS significantly outperformed the other methods in the scenes with both noise and mesh decimation, obtaining a high precision of about 0.9 and a high recall of about 0.9. It is followed by NormHist, SHOT, spin image and LSP, while THRIFT failed to work. As summarized in Table 2, the RoPS feature descriptor length is 135, while the others such as spin image, NormHist, LSP and SHOT are 225, 225, 225 and 320, respectively. So RoPS is more compact and therefore more efficient for feature matching compared to these methods. Note that, although the length of THRIFT is smaller than RoPS, THRIFT’s performance in terms of recall and precision results is surpassed by our RoPS feature descriptor by a large margin. ### 5.2 Performance on The PHOTOMESH Dataset The PHOTOMESH Dataset contains three null shapes. Two of the null shapes were obtained with multi-view stereo reconstruction algorithms, and the other one was generated with a modeling program. 13 transformations were applied to each shape. The transformations include color noise, color shot noise, geometry noise, geometry shot noise, rotation, scale, local scale, sampling, hole, micro-hole, topology changes and isometry. Each transformation has five different levels of strength. To make a rigorous comparison with (Zaharescu et al., 2012), we set the support radius $r$ to $\sqrt{\nicefrac{{\alpha_{r}A_{M}}}{{\pi}}}$, where $A_{M}$ is the total area of a mesh, and $\alpha_{r}$ is 2%. RoPS feature descriptors were calculated at all points of the shapes, without any feature detection. We used the average normalized $L_{2}$ distance between the feature descriptors of corresponding points to measure the quality of a feature descriptor, as in (Zaharescu et al., 2012). The experimental results of the RoPS descriptor are shown in Table 3. For comparison, the results of the MeshHOG descriptor (Gaussian curvature) without and with MeshDOG are also reported in Tables 4 and 5, respectively. The RoPS descriptor was clearly invariant to color noise and color shot noise. Because the geometric information used in RoPS cannot be affected by color deformations. RoPS was also invariant to rotation and scale, which means that it was invariant to rigid transformations. The RoPS descriptor turned out to be very robust to geometry noise, geometry shot noise, local scale, holes, micro-holes, topology and isometry with noise. The average normalized $L_{2}$ distances for all these transformations were no more than 0.06, even under the highest level of transformations. The biggest challenge for RoPS descriptor was sampling. The average normalized $L_{2}$ distance increased from 0.01 to 0.06 as the strength level changed from 1 to 5. However, RoPS was more robust to sampling than MeshHOG. As shown in Tables 3 and 4, the average normalized $L_{2}$ distance of RoPS with a strength level of 5 was even smaller than that of MeshHOG with a strength level of 1, i.e., 0.02 and 0.04, respectively. Overall, the average normalized $L_{2}$ distances of RoPS descriptor were much smaller under all strength levels of all transformations compared to MeshHOG. Table 3: Robustness of RoPS descriptor. | Strength ---|--- Transform. | 1 | $\leq$2 | $\leq$3 | $\leq$4 | $\leq$5 Color Noise | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Color Shot Noise | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Geometry Noise | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 Geometry Shot Noise | 0.01 | 0.01 | 0.02 | 0.03 | 0.05 Rotation | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Scale | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Local Scale | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 Sampling | 0.01 | 0.02 | 0.04 | 0.05 | 0.06 Holes | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 Marco-Holes | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 Topology | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 Isometry + Noise | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 Average | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 Table 4: Robustness of MeshHOG (Gaussian curvature) without MeshDOG detector. | Strength ---|--- Transform. | 1 | $\leq$2 | $\leq$3 | $\leq$4 | $\leq$5 Color Noise | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Color Shot Noise | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Geometry Noise | 0.07 | 0.08 | 0.09 | 0.10 | 0.11 Geometry Shot Noise | 0.02 | 0.03 | 0.05 | 0.06 | 0.09 Rotation | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Scale | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Local Scale | 0.06 | 0.07 | 0.08 | 0.09 | 0.10 Sampling | 0.10 | 0.12 | 0.13 | 0.13 | 0.13 Holes | 0.01 | 0.02 | 0.04 | 0.03 | 0.05 Marco-Holes | 0.01 | 0.01 | 0.03 | 0.04 | 0.04 Topology | 0.07 | 0.10 | 0.11 | 0.11 | 0.12 Isometry + Noise | 0.08 | 0.08 | 0.08 | 0.09 | 0.09 Average | 0.04 | 0.04 | 0.05 | 0.06 | 0.06 ## 6 3D Object Recognition Algorithm So far we have developed a novel LRF and a RoPS feature descriptor. In this section, we propose a new hierarchical 3D object recognition algorithm based on the LRF and RoPS descriptor. Our 3D object recognition algorithm consists of four major modules, i.e., model representation, candidate model generation, transformation hypothesis generation, verification and segmentation. A flow chart illustration of the algorithm is given in Fig. 10. Table 5: Robustness of MeshHOG (Gaussian curvature) with MeshDOG detector. | Strength ---|--- Transform. | 1 | $\leq$2 | $\leq$3 | $\leq$4 | $\leq$5 Color Noise | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Color Shot Noise | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 Geometry Noise | 0.26 | 0.29 | 0.31 | 0.33 | 0.34 Geometry Shot Noise | 0.04 | 0.09 | 0.14 | 0.21 | 0.29 Rotation | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 Scale | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 Local Scale | 0.21 | 0.25 | 0.28 | 0.30 | 0.31 Sampling | 0.31 | 0.34 | 0.34 | 0.36 | 0.36 Holes | 0.02 | 0.02 | 0.07 | 0.07 | 0.07 Marco-Holes | 0.01 | 0.01 | 0.07 | 0.07 | 0.08 Topology | 0.13 | 0.20 | 0.22 | 0.25 | 0.28 Isometry + Noise | 0.23 | 0.24 | 0.22 | 0.25 | 0.25 Average | 0.10 | 0.12 | 0.14 | 0.15 | 0.17 Figure 10: Flow chart of the 3D object recognition algorithm. The module of model representation is performed offline, and the other modules are operated online. ### 6.1 Model Representation We first construct a model library for the 3D objects that we are interested in. Given a model $\mathsf{\mathscr{\mathcal{M}}}$, $N_{m}$ seed points are evenly selected from the model pointcloud. Since the feature descriptors of closely located feature points may be similar (since they represent more or less the same local surface), a resolution control strategy (Zhong, 2009) is further enforced on these seed points to extract the final feature points. For each feature point $\boldsymbol{p}_{m}$, the LRF $\mathbf{F}_{m}$ and the feature descriptor (e.g., our RoPS descriptor) $\boldsymbol{f}_{m}$ are calculated. The point position $\boldsymbol{p}_{m}$, LRF $\mathbf{F}_{m}$ and feature descriptor $\boldsymbol{f}_{m}$ of all the feature points are then stored in a library for object recognition. In order to speed up the process of feature matching during online recognition, the local feature descriptors from all models are indexed using a $k$-d tree method (Bentley, 1975). Note that, the model feature calculation and indexing can be performed offline, while the following modules are operated online. ### 6.2 Candidate Model Generation The input scene $\mathcal{S}$ is first decimated, which results in a low resolution mesh $\mathcal{S}^{\prime}$. The vertices of $\mathcal{S}$ which are nearest to the vertices of $\mathcal{S}^{\prime}$ are selected as seed points (following a similar approach of (Mian et al., 2006b)). Next, a resolution control strategy (Zhong, 2009) is enforced on these seed points to prune out redundant seed points. A boundary checking strategy (Mian et al., 2010) is also applied to the seed points to eliminate the boundary points of the range image. Further, since the LRF of a point can be ambiguous when two eigenvalues of the overall scatter matrix of the underlying local surface (see Eq. 4) are equal, we impose a constraint on the ratios of the eigenvalues $\nicefrac{{\lambda_{1}}}{{\lambda_{2}}}>\tau_{\lambda}$ to exclude seed points with symmetrical local surfaces, as in (Zhong, 2009; Mian et al., 2010). The remaining seed points are considered feature points. It is worth noting that, the feature point detection and LRF calculation procedures can be performed simultaneously. Given the LRF $\mathbf{F}_{s}$ of a feature point $\boldsymbol{p}_{s}$, its feature descriptor $\boldsymbol{f}_{s}$ is subsequently calculated. The scene features are exactly matched against all model features in the library using the previously constructed $k$-d tree. If the ratio between the smallest distance and the second smallest one is less than a threshold $\tau_{f}$, the scene feature and its closest model feature are considered a feature correspondence. Each feature correspondence votes for a model. These models which have received votes from feature correspondences are considered candidate models. They are then ranked according to the number of votes received. With this ranked models, the subsequent steps (Sections 6.3 and 6.4) can be performed from the most likely candidate model. ### 6.3 Transformation hypothesis Generation For a feature correspondence which votes for the model $\mathsf{\mathscr{\mathcal{M}}}$, a rigid transformation is calculated by aligning the LRF of the model feature to the LRF of the scene feature. Specifically, given the LRF $\mathbf{F}_{s}$ and the point position $\boldsymbol{p}_{s}$ of a scene feature, the LRF $\mathbf{F}_{m}$ and the point position $\boldsymbol{p}_{m}$ of a corresponding model feature, the rigid transformation can be estimated by: $\mathbf{R}=\mathbf{F}_{s}^{\mathrm{T}}\mathbf{F}_{m},$ (19) $\boldsymbol{t}=\boldsymbol{p}_{s}-\boldsymbol{p}_{m}\mathbf{R},$ (20) where $\mathbf{R}$ is the rotation matrix and $\boldsymbol{t}$ is the translation vector of the rigid transformation. It is worth noting that a transformation can be estimated from a single feature correspondence using our RoPS feature descriptor. This is a major advantage of our algorithm compared with most of the existing algorithms (e.g., splash, point signatures and spin image based methods) which require at least three correspondences to calculate a transformation (Johnson and Hebert, 1999). Our algorithm not only eliminates the combinatorial explosion of feature correspondences but also improves the reliability of the estimated transformation. As all the plausible transformations $\left(\mathbf{R}_{i},\boldsymbol{t}_{i}\right),i=1,2,\cdots,N_{t}$ between the scene $\mathcal{S}$ and the model $\mathsf{\mathscr{\mathcal{M}}}$ are calculated, these transformations are then grouped into several clusters. Specifically, for each plausible transformation, its rotation matrix $\mathbf{R}_{i}$ is first converted into three Euler angles which form a vector $\boldsymbol{u}_{i}$. In this manner, the difference between any two rotation matrices can be measured by the Euclidean distance between their corresponding Euler angles. These transformations whose Euler angles are around $\boldsymbol{u}_{i}$ (with distances less than $\tau_{a}$) and translations are around $\boldsymbol{t}_{i}$ (with distances less than $\tau_{t}$) are grouped into a cluster $\mathcal{C}_{i}$. Therefore, each plausible transformation $\left(\mathbf{R}_{i},\boldsymbol{t}_{i}\right)$ results in a cluster $\mathcal{C}_{i}$. The cluster center $\left(\mathbf{R}_{c},\boldsymbol{t}_{c}\right)$ of $\mathcal{C}_{i}$ is calculated as the average rotation and translation in that cluster. Next, a confidence score $s_{c}$ for each cluster is calculated as: $s_{c}=\frac{n_{f}}{d},$ (21) where $n_{f}$ is the number of feature correspondences in the cluster, and $d$ is the average distance between the scene features and their corresponding model features which fall within the cluster. These clusters are sorted according to their confidence scores, the ones with confidence scores smaller than half of the maximum score are first pruned out. We then select the valid clusters from these remaining clusters, starting from the highest scored one and discarding the nearby clusters whose distances to these selected clusters are small (using $\tau_{a}$ and $\tau_{t}$). $\tau_{a}$ and $\tau_{t}$ are empirically set to 0.2 and 30mr throughout this paper. These selected clusters are then allowed to proceed to the final verification and segmentation stage (Section 6.4). ### 6.4 Verification and Segmentation Given a scene $\mathcal{S}$, a candidate model $\mathsf{\mathscr{\mathcal{M}}}$ and a transformation hypothesis $\left(\mathbf{R}_{c},\boldsymbol{t}_{c}\right)$, the model $\mathsf{\mathscr{\mathcal{M}}}$ is first transformed to the scene $\mathcal{S}$ by using the transformation hypothesis $\left(\mathbf{R}_{c},\boldsymbol{t}_{c}\right)$. This transformation is further refined using the ICP algorithm (Besl and McKay, 1992), resulting in a residual error $\varepsilon$. After ICP refinement, the visible proportion $\alpha$ is calculated as: $\alpha=\frac{n_{c}}{n_{s}},$ (22) where $n_{c}$ is the number of corresponding points between the scene $\mathcal{S}$ and the model $\mathsf{\mathscr{\mathcal{M}}}$, $n_{s}$ is the total number of points in the scene $\mathcal{S}$. Here, a scene point and a transformed model point are considered corresponding if their distance is less than twice the model resolution (Mian et al., 2006b). The candidate model $\mathsf{\mathscr{\mathcal{M}}}$ and the transformation hypothesis $\left(\mathbf{R}_{c},\boldsymbol{t}_{c}\right)$ are accepted as being correct only if the residual error $\varepsilon$ is smaller than a threshold $\tau_{\varepsilon}$ and the proportion $\alpha$ is larger than a threshold $\tau_{\alpha}$. However, it is hard to determine the thresholds. Because selecting strict thresholds will reject correct hypotheses which are highly occluded in the scene, while selecting loose thresholds will produce many false positives. In this paper, a flexible thresholding scheme is developed. To deal with a highly occluded but well aligned object, we select a small error threshold $\tau_{\varepsilon 1}$ together with a small proportion threshold $\tau_{\alpha 1}$. Meanwhile, in order to increase the tolerance to the residual error which resulted from an inaccurate estimation of the transformation, we select a relatively larger error threshold $\tau_{\varepsilon 2}$ together with a larger proportion threshold $\tau_{\alpha 2}$. We chose these thresholds empirically and set them as $\tau_{\varepsilon 1}=0.75\textrm{mr}$, $\tau_{\varepsilon 2}=1.5\textrm{mr}$, $\tau_{\alpha 1}=0.04$ and $\tau_{\alpha 2}=0.2$ throughout the paper. Therefore, once $\varepsilon<\tau_{\varepsilon 1}$ but $\alpha>\tau_{\alpha 1}$, or $\varepsilon<\tau_{\varepsilon 2}$ but $\alpha>\tau_{\alpha 2}$, the candidate model $\mathsf{\mathscr{\mathcal{M}}}$ and the transformation hypothesis $\left(\mathbf{R}_{c},\boldsymbol{t}_{c}\right)$ are accepted, the scene points which correspond to this model are removed from the scene. Otherwise, this transformation hypothesis is rejected and the next transformation hypothesis is verified by turn. If no transformation hypothesis results in an accurate alignment, we conclude that the model $\mathsf{\mathscr{\mathcal{M}}}$ is not present in the scene $\mathcal{S}$. While if more than one transformation hypotheses are accepted, it means that multiple instances of the model $\mathsf{\mathscr{\mathcal{M}}}$ are present in the scene $\mathcal{S}$. Once all the transformation hypotheses for a candidate model $\mathsf{\mathscr{\mathcal{M}}}$ are tested, the object recognition algorithm then proceeds to the next candidate model. This process continues until either all the candidate models have been verified or there are too few points left in the scene for recognition. ## 7 Performance of 3D Object Recognition The effectiveness of our proposed RoPS based 3D object recognition algorithm was evaluated by a set of experiments on four datasets, including the Bologna Dataset (Tombari et al., 2010), the UWA Dataset (Mian et al., 2006b), the Queen’s Dataset (Taati and Greenspan, 2011) and the Ca’ Foscari Venezia Dataset (Rodolà et al., 2012). These four datasets are amongst the most popular datasets publicly available, containing multiple objects in each scene in the presence of occlusion and clutter. (a) Recognition rates in the presence of noise (b) Recognition rates with respect to varying mesh resolution Figure 11: Recognition rates on the Bologna Dataset. (Figure best seen in color.) ### 7.1 Recognition Results on The Bologna Dataset We used the Bologna Dataset to evaluate the effectiveness of our proposed RoPS based 3D object recognition algorithm. We specifically focused on the performance with respect to noise and varying mesh resolution. We also aimed to demonstrate the capability of our 3D object recognition algorithm to integrate the existing feature descriptors without LRF. (a) Chef (b) Chicken (c) Parasaurolophus (d) Rhino (e) T-Rex Figure 12: The five models of the UWA Dataset. (a) The first sample scene (b) Our recognition result (c) The second sample scene (d) Our recognition result Figure 13: Two sample scenes and our recognition results on the UWA Dataset. The correctly recognized objects have been superimposed by their 3D complete models from the library. All objects were correctly recognized except for the T-Rex in (d). (Figure best seen in color.) We used our RoPS together with the five feature descriptors (as detailed in Section 5.1.1) to perform object recognition. For feature descriptors that do not have a dedicated LRF, e.g., spin image, NormHist, LSP and THRIFT, the LRFs were defined using our proposed technique. The average number of detected feature points in an unsampled scene and a model were 985 and 1000, respectively. In order to evaluate the performance of the 3D object recognition algorithms on noisy data, we added a Gaussian noise with increasing standard deviation of 0.1mr, 0.2mr, 0.3mr, 0.4mr and 0.5mr to each scene data, the average recognition rates of the six algorithms on the 45 scenes are shown in Fig. 11(a). It can be seen that both RoPS and SHOT based algorithms achieved the best results, with recognition rates of 100% under all levels of noise. Spin image and NormHist based algorithms achieved recognition rates higher than 97% under low-level noise with deviations less than 0.1mr. However, their performance deteriorated sharply as the noise increased. While LSP and THRIFT based algorithms were very sensitive to noise. In order to evaluate the effectiveness of the 3D object recognition algorithms with respect to varying mesh resolution, the 45 noise free scenes were resampled to $\nicefrac{{1}}{{2}}$, $\nicefrac{{1}}{{4}}$ and $\nicefrac{{1}}{{8}}$ of their original mesh resolution. The average recognition rates on the 45 scenes with respect to different mesh resolutions are given in Fig. 11(b). It is shown that RoPS based algorithm achieved the best performance, obtaining 100% recognition rate under all levels of mesh decimation. It was followed by NormHist and spin image based algorithms. That is, they obtained recognition rates of 97.8% and 91.1% respectively in scenes with $\nicefrac{{1}}{{8}}$ of original mesh resolution. ### 7.2 Recognition Results on The UWA Dataset The UWA Dataset contains five 3D models and 50 real scenes. The scenes were generated by randomly placing four or five real objects together in a scene and scanned from a single viewpoint using a Minolta Vivid 910 scanner. An illustration of the five models is given in Fig. 12, and two sample scenes are shown in Figures 13(a) and (c). For the sake of consistency in comparison, RoPS based 3D object recognition experiments were performed on the same data as Mian et al. (2006b) and Bariya et al. (2012). Besides, the Rhino model was excluded from the recognition results, since it contained large holes and cannot be recognized by the spin image based algorithm in any of the scenes. Comparison was performed with a number of state-of-the-art algorithms, such as tensor (Mian et al., 2006b), spin image (Mian et al., 2006b), keypoint (Mian et al., 2010), VD-LSD (Taati and Greenspan, 2011) and EM based (Bariya et al., 2012) algorithms. Comparison results are shown in Fig. 14 with respect to varying levels of occlusion. The average number of detected feature points in a scene and a model were 2259 and 4247, respectively. Occlusion is defined according to Johnson and Hebert (1999) as: $\textrm{occlusion}=\frac{\textrm{model surface patch area in scene}}{\textrm{total model surface area}}.$ (23) The ground truth occlusion values were automatically calculated for the correctly recognized objects and manually calculated for the objects which were not correctly recognized. As shown in Fig. 14, our RoPS based algorithm outperformed all the existing algorithms. It achieved a recognition rate of 100% with up to 80% occlusion, and a recognition rate of 93.1% even under 85% occlusion. The average recognition rate of our RoPS based algorithm was 98.8%, while the average recognition rate of spin image, tensor and EM based algorithms were 87.8%, 96.6% and 97.5% respectively, with up to 84% occlusion. The overall average recognition rate of our RoPS based algorithm was 98.9%. Moreover, no false positive occurred in the experiments when using our RoPS based algorithm, and only two out of the total 188 objects in the 50 scenes was not correctly recognized. These results confirm that our RoPS based algorithm is able to recognize objects in complex scenes in the presence of significant clutter, occlusion and mesh resolution variation. Figure 14: Recognition rates on the UWA Dataset. (Figure best seen in color.) Two sample scenes and their corresponding recognition results are shown in Fig. 13. All objects were correctly recognized and their poses were accurately recovered except for the T-Rex in Fig. 13(d). The reason for the failure in Fig. 13(d) relates to the excessive occlusion of the T-Rex. It is highly occluded and the visible surface is sparsely distributed in several parts of the body rather than in a single area. Therefore, almost no reliable feature could be extracted from the object. (a) Angle (b) Big Bird (c) Gnome (d) Kid (e) Zoe Figure 15: The five models in the Queen’s Dataset. (a) The first sample scene (b) Our recognition result (c) The second sample scene (d) Our recognition result Figure 16: Two sample scenes and our recognition results on the Queen’s dataset. The correctly recognized objects have been superimposed by their 3D complete models from the library. All objects were correctly recognized except for the Angle in (d). (Figure best seen in color.) Note that, although we used a fixed support radius (i.e., $r$ = 15mr) for feature description throughout this paper, the proposed algorithm is generic, and different adaptive-scale keypoint detection methods can be seamlessly integrated within our RoPS descriptor. In order to further demonstrate the generic nature of our algorithm, we generated RoPS descriptors using the support radii estimated by the adaptive-scale method in (Mian et al., 2010). The recognition result is shown in Fig. 14. The recognition performance of the adaptive-scale RoPS based algorithm was better than that reported in (Mian et al., 2010), which means that our RoPS descriptor was more descriptive than the descriptor used in (Mian et al., 2010). It is also observed that the performance of adaptive-scale RoPS was marginally worse than the fixed-scale counterpart. This is because the errors of scale estimation adversely affected the performance of feature matching, and ultimately object recognition. That is, the corresponding points in a scene and model may have different estimated scales due to the estimation errors. As reported in (Tombari et al., 2013), the scale repeatability of the adaptive-scale detector in (Mian et al., 2010) were less than 85% and 60% on the Retrieval dataset and Random Views dataset, respectively. ### 7.3 Recognition Results on The Queen’s Dataset The Queen’s Dataset contains five models and 80 real scenes. The 80 scenes were generated by randomly placing one, three, four or five of the models in a scene and scanned from a single viewpoint using a LIDAR sensor. The five models were generated by merging several range images of a single object. Since all scenes and models were represented in the form of pointclouds, we first converted them into triangular meshes in order to calculate the LRFs using our proposed technique. A scene pointcloud was converted by mapping the 3D pointcloud onto the 2D retina plane of the sensor and performing a 2D Delaunay triangulation over the mapped points. The 2D points and triangles were then mapped back to the 3D space, resulting in a triangular mesh. A model pointcloud was converted into a triangular mesh using the Marching Cubes algorithm (Guennebaud and Gross, 2007). An illustration of the five models is given in Fig. 15, and two sample scenes are shown in Figures 16(a) and (c). Table 6: Recognition rates (%) on the Queen’s Dataset. The results of the tests on the full dataset containing 80 scenes are shown in parentheses. The others were tested on a subset dataset which contains 55 scenes. ‘NA’ indicates that the corresponding item is not available. The best results are in bold fonts. Method | Angel | Big Bird | Gnome | Kid | Zoe | Average ---|---|---|---|---|---|--- RoPS | 97.4 (97.9) | 100.0 (100.0) | 97.4 (97.9) | 94.9 (95.8) | 87.2 (85.4) | 95.4 (95.4) EM | NA (77.1) | NA (87.5) | NA (87.5) | NA (83.3) | NA (76.6) | 81.9 (82.4) VD-LSD(SQ) | 89.7 | 100.0 | 70.5 | 84.6 | 71.8 | 83.8 VD-LSD(VQ) | 56.4 | 97.4 | 69.2 | 51.3 | 64.1 | 67.7 3DSC | 53.8 | 84.6 | 61.5 | 53.8 | 56.4 | 62.1 Spin image (impr.) | 53.8 | 84.6 | 38.5 | 51.3 | 41.0 | 53.8 Spin image (orig.) | 15.4 | 64.1 | 25.6 | 43.6 | 28.2 | 35.4 Spin image spherical (impr.) | 53.8 | 74.4 | 38.5 | 61.5 | 43.6 | 54.4 Spin image spherical (orig.) | 12.8 | 61.5 | 30.8 | 43.6 | 30.8 | 35.9 First, we performed object recognition using our RoPS based algorithm on the full dataset which contains 80 real scenes. The average number of detected feature points in a scene and a model were 3296 and 4993, respectively. The results are shown in parentheses in Table 6, with a comparison to the results given by Bariya et al. (2012). It can be seen that the average recognition rate of our algorithm is 95.4%, in contrast, the average recognition rate of the EM based algorithm is 82.4%. These results indicate that our algorithm is superior to the EM based algorithm although a complicated keypoint detection and scale selection strategy has been adopted by the EM based algorithm. To make a direct comparison with the results given by Taati and Greenspan (2011), we performed our RoPS based 3D object recognition on the same subset dataset which contains 55 scenes. The results are given in Table 6, with comparisons to the results provided by two variants of VD-LSD, 3DSC and four variants of spin image. As shown in Table. 6, our average recognition rate was 95.4%, while the second best result achieved by VD-LSD (SQ) was 83.8%. The RoPS based algorithm achieved the best recognition rates for all the five models. More than 97% of the instances of Angle, Big Bird and Gnome were correctly recognized. Although RoPS’s recognition rate for Zoe was relatively low (i.e., 87.2%), it still outperformed the existing algorithms by a large margin, since the second best result achieved by VD-LSD (SQ) was 71.8%. Fig. 16 shows two sample scenes and our recognition results on the Queen’s Dataset. It can be seen that our RoPS based algorithm was able to recognize objects with large amounts of occlusion and clutter. Note that, the Queen’s Dataset is more challenging than the UWA Dataset since the former is more noisy and the points are not uniformly distributed. That is the reason why the spin image based algorithm had a significant drop in the recognition performance when tested on the two datasets. Specifically, the average recognition rate of spin image based algorithm on the UWA Dataset was 87.8% while the best result on the Queen’s Dataset was only 54.4%. Similarly, a notable decrease of performance can also be found for the EM based algorithm, with 97.5% recognition rate for the UWA Dataset and 81.9% recognition rate for the Queen’s Dataset. However, our RoPS based algorithm was consistently effective and robust to different kinds of variations (including noise, varying mesh resolution and occlusion), it outperformed the existing algorithms and achieved comparable results in both datasets, obtaining a recognition rate of 98.9% on the UWA Dataset and 95.4% on the Queen’s Dataset. We also performed a timing experiment to measure the average processing time to recognize each object in the scene. The experiment was conducted on a computer with a 3.16 GHz Intel Core2 Duo CPU and a 4GB RAM. The code was implemented in MATLAB without using any program optimization or parallel computing technique. The average computational time to detect feature points and calculate LRFs was 42.6s. The average computational time to generate RoPS descriptors was 7.2s. Feature matching consumed 46.6s, while the computational time for the transformation hypothesis generation was negligible. Finally, verification and segmentation cost 57.4s in average. ### 7.4 Recognition Results on The Ca’ Foscari Venezia Dataset This dataset is composed of 20 models and 150 scenes. Each scene contains 3 to 5 objects in the presence of occlusion and clutter. Totally, there are 497 object instances in all scenes. This dataset has been released just recently. It is the largest available 3D object recognition dataset. It is also more challenging than many other datasets, containing several models with large flat and featureless areas, and several models which are very similar in shape (Rodolà et al., 2012). Table 7: Precision and recall values on the Ca’ Foscari Venezia Dataset. The best results are in bold fonts. | | Armadillo | Bunny | Cat1 | Centaur1 | Chef | Chicken | Dog7 | Dragon | Face ---|---|---|---|---|---|---|---|---|---|--- Precision | RoPS | 97 | 100 | 100 | 100 | 100 | 97 | 100 | 100 | 100 Game-theoretic | 100 | 100 | 78 | 96 | 93 | 93 | 95 | 100 | 91 Recall | RoPS | 100 | 100 | 44 | 100 | 100 | 100 | 91 | 100 | 100 Game-theoretic | 97 | 97 | 82 | 100 | 100 | 100 | 86 | 89 | 95 | | Ganesha | Gorilla0 | Horse7 | Lioness13 | Para | Rhino | T-Rex | Victoria3 | Wolf2 Precision | RoPS | 100 | 100 | 100 | 100 | 97 | 96 | 100 | 100 | 100 Game-theoretic | 89 | 95 | 97 | 88 | 97 | 91 | 97 | 83 | 82 Recall | RoPS | 100 | 100 | 100 | 100 | 97 | 100 | 100 | 95 | 100 Game-theoretic | 100 | 91 | 100 | 100 | 94 | 91 | 97 | 83 | 95 The precision and recall values of RoPS based algorithm on this dataset is shown in Table 7, the results as reported in (Rodolà et al., 2012) are also reported for comparison. As in (Rodolà et al., 2012), two out of the 20 models were left out from the recognition tests and used as clutter. The average number of detected feature points in a scene and a model were 2210 and 5000, respectively. The RoPS based algorithm achieved better precision results compared to (Rodolà et al., 2012). The average precision of RoPS based algorithm was 99%, which was higher than (Rodolà et al., 2012) by a margin of 6%. Besides, the precision values of 14 individual models were as high as 100%. The average recall of RoPS based algorithm was 96%, in contrast, the average recall of (Rodolà et al., 2012) was 95%. Moreover, RoPS based algorithm achieved equal or better recall values on 17 individual models out of the 18 models. Note that, SHOT descriptors and a game-theoretic framework is used in (Rodolà et al., 2012) for 3D object recognition. It is observed that our RoPS based algorithm performed better than SHOT based algorithm on this Dataset. In summary, the superior performance of our RoPS based 3D object recognition algorithm is due to several reasons. First, the highly descriptiveness and strong robustness of our RoPS feature descriptor improve the accuracy of feature matching and therefore boost the performance of 3D object recognition. Second, the unique, repeatable and robust LRF enables the estimation of a rigid transformation from a single feature correspondence, which therefore reduces the errors of transformation hypotheses. This is because the probability of selecting only one correct feature correspondence is much higher than the probability of selecting three correct feature correspondences. Moreover, our proposed hierarchical object recognition algorithm enables object recognition to be performed in an effective and efficient manner. ## 8 Conclusion In this paper, we proposed a novel RoPS feature descriptor for 3D local surface description, and a new hierarchical RoPS based algorithm for 3D object recognition. The RoPS feature descriptor is generated by rotationally projecting the neighboring points around a feature point onto three coordinate planes and calculating the statistics of the distribution of the projected points. We also proposed a novel LRF by calculating the scatter matrix of all points lying on the local surface rather than just mesh vertices. The unique and highly repeatable LRF facilitates the effectiveness and robustness of the RoPS descriptor. We performed a set of experiments to assess our RoPS feature descriptor with respect to a set of different nuisances including noise, varying mesh resolution and holes. Comparative experimental results show that our RoPS descriptor outperforms the state-of-the-art methods, obtaining high descriptiveness and strong robustness to noise, varying mesh resolution and other deformations. Moreover, we performed extensive experiments for 3D object recognition in complex scenes in the presence of noise, varying mesh resolution, clutter and occlusion. Experimental results on the Bologna Dataset show that our RoPS based algorithm is very effective and robust to noise and mesh resolution variation. Experimental results on the UWA Dataset show that RoPS based algorithm is very robust to occlusion and outperforms existing algorithms. The recognition results achieved on the Queen’s Dataset show that our algorithm outperforms the state-of-the-art algorithms by a large margin. The RoPS based algorithm was further tested on the largest available 3D object recognition dataset (i.e., the Ca’ Foscari Venezia Dataset), reporting superior results. Overall, our algorithm has achieved significant improvements over the existing 3D object recognition algorithms when tested on the same dataset. Interesting future research directions include the extension of the proposed RoPS feature to encode both geometric and photometric information. Integrating geometric and photometric cues would be beneficial for the recognition of 3D objects with poor geometric but rich photometric features (e.g., a flat or spherical surface). Another direction is to adopt our RoPS descriptors to perform 3D shape retrieval on a large scale 3D shape corpus, e.g., the SHREC Datasets (Bronstein et al., 2010b). ###### Acknowledgements. The authors would like to acknowledge the following institutions. 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arxiv-papers
2013-04-11T04:26:52
2024-09-04T02:49:44.161535
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Yulan Guo, Ferdous Sohel, Mohammed Bennamoun, Min Lu, Jianwei Wan", "submitter": "Yulan Guo", "url": "https://arxiv.org/abs/1304.3192" }
1304.3244
# RX J1301.9+2747: A Highly Variable Seyfert Galaxy with Extremely Soft X-ray Emission Luming Sun11affiliation: CAS Key Laboratory for Research in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Hefei, Anhui 230026; [email protected], [email protected], [email protected] , Xinwen Shu11affiliation: CAS Key Laboratory for Research in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Hefei, Anhui 230026; [email protected], [email protected], [email protected] , and Tinggui Wang11affiliation: CAS Key Laboratory for Research in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Hefei, Anhui 230026; [email protected], [email protected], [email protected] ###### Abstract In this paper we present a temporal and spectral analysis of X-ray data from the XMM-Newton and Chandra observations of the ultrasoft and variable Seyfert galaxy RX J1301.9+2747. In both observations the source clearly displays two distinct states in the X-ray band, a long quiescent state and a short flare (or eruptive) state which differs in count rates by a factor of 5–7. The transition from quiescent to flare state occurs in 1–2 ks. We have observed that the quiescent state spectrum is unprecedentedly steep with a photon index $\Gamma\sim 7.1$, and the spectrum of the flare state is flatter with $\Gamma\sim 4.4$. X-rays above 2 keV were not significantly detected in either state. In the quiescent state, the spectrum appears to be dominated by a black body component of temperature about $\sim$30–40 eV, which is comparable to the expected maximum effective temperature from the inner accretion disk. The quiescent state however, requires an additional steep power-law, presumably arising from the Comptonization by transient heated electrons. Optical spectrum from the Sloan Digital Sky Survey shows Seyfert-like narrow lines for RX J1301.9+2747, while the HST imaging reveals a central point source for the object. In order to precisely determine the hard X-ray component, future longer X-ray observations are required. This will help constrain the accretion disk model for RX J1301.9+2747, and shed new light into the characteristics of the corona and accretion flows around black holes. ###### Subject headings: accretion, accretion disks — galaxies: active — galaxies: individual (RX J1301.9+2747) — X-rays: galaxies ## 1\. Introduction Active galactic nuclei (AGNs) are thought to be powered by supermassive black holes of $M_{\rm BH}\sim 10^{6}-10^{9}~{}M_{\odot}$ accreting the surrounding gas (see Rees, 1984, for a review). They are also considered to be scaled-up versions of Galactic black hole binaries (BHBs, $M_{\rm BH}\sim 10~{}M_{\odot}$, McHardy et al. (2006) and references therein). The rapid X-ray variability is one example of the similarities between these two types of systems (Gierlinski et al., 2008). In Seyfert galaxies, variations of the X-ray continuum emission over a timescale from minutes to hours have been reported (e.g. Ulrich et al., 1997; Boller et al., 1997; Ponti et al., 2012), however, persistent giant and rapid variability appears to be fairly rare and its origin is still poorly understood. Soft X-ray excesses above an extrapolation of the underlying hard X-ray power- law is commonly observed in Type 1 AGNs and radio quiet quasars (Piconcelli et al., 2005; Bianchi et al., 2009). The origin of this additional component is not clear, and may be the high-energy tail of the AGN accretion disk emission (e.g. Grupe et al., 1995). The problem using this explanation is that the temperatures of the soft X-ray excesses appear to fall within a narrow range (kT $\sim$ 0.1–0.2 keV) from a sample of AGNs containing a large range of black hole (BH) mass, which is difficult to explain using the standard accretion disk models (e.g. Gierlinski & Done, 2004; Crummy et al., 2006). So far there has been no convincing evidence for the presence of direct accretion disk emission seen in the X-ray spectra of AGNs. Yuan et al. (2010) reported a luminous ultra-soft excess in the narrow line Seyfert 1 galaxy (NLS1) J1633+4718 from archival ROSAT spectra, and found a lowest soft excess temperature of 32 eV among AGNs. This characteristic of the soft excess is likely an observational signature for the accretion disk emission. However, the blackbody nature of this emission needs to be tested further, utilizing higher quality X-ray data, as the ROSAT spectra ($\sim$ 0.1–2.4 keV) are less sensitive to constrain the harder power-law emission above $\sim$2 keV. Recently, Terashima et al. (2012) reported the discovery of a candidate ’ultrasoft’ AGN, whose X-ray spectrum can be represented $purely$ by a soft thermal component with a blackbody temperature of $kT\sim$0.13–0.15 keV, by analog with the accretion disk dominated spectrum typically seen in the high/soft state of BHBs. Additionally, the soft X-ray emission obtained shows spectral variability consistent with being caused by strong Comptonization. Interestingly, the object was later optically confirmed to be a Type 2 AGN (Ho et al., 2012) with a central BH mass as small as $10^{5}M_{\odot}$. However, in their work they did not test in detail the possibility of the accretion disk emission as the origin for the soft excess. In this paper, we report results of new XMM-Newton and Chandra observations of RX 1301.9+2747 at $z$=0.0237 (hereafter J1302), a highly variable and ultra- soft X-ray source in a post-starburst galaxy (Dewangan et al., 2000). Our detailed analysis of the optical spectrum from the SDSS revealed that it is a Seyfert galaxy. The ultrasoft X-ray emission of J1302 was confirmed in the new X-ray observations. In particular, we found unusual giant flares in both XMM- Newton and Chandra light curves, accompanied by spectra hardening during the flare state. In the quiescent state, the spectrum appears to be dominated by a thermal blackbody component, whose temperature is comparable to the predicted maximum accretion disk temperature. Throughout this paper, we assume a cosmology with $H_{0}$ = 0.71, $\Omega_{M}$ = 0.27, $\Omega_{\Lambda}$ = 0.73. ## 2\. Data analysis and result ### 2.1. Optical Spectrum J1302 was spectroscopically observed by the SDSS in March 2007. Figure 1 shows the rest-frame spectrum for J1302 (black line), which is dominated by the starlight of the host galaxy. To subtract the starlight and the nuclear continuum, we followed the recipe described in detail in Dong et al. (2005). As seen in Figure 1, the galaxy starlight model (green line) gives a very good fit to the optical continuum ($\chi^{2}$/dof = 3648/3208). After the subtraction of stellar absorption lines, we fitted the emission-line spectrum, represented by a blue line, by using Gaussians to derive the parameters of the emission lines. [OIII] $\lambda\lambda$4959, 5007, [NII] $\lambda\lambda$6548, 6583, H$\alpha$ and [SII] $\lambda\lambda$6717, 6731 emission lines are clearly detected with S/N $>$ 5, while H$\beta$ line is only weakly distinguishable with S/N $\sim$ 1.4. The right panel in Fig. 1 displays the emission-line spectra, alongside the best fit Gaussian models. There is no apparent broad component of H$\alpha$ line, and a narrow Gaussian with a line width of FWHM $\sim$ 240km s-1 can provide good fit. In order to verify the absence of the broad H$\alpha$ line, we add an additional Gaussian to the narrow H$\alpha$, with the width fixed at 2000 km s-1. The flux is allowed to vary in the fitting process. We found that the fitting was marginally improved by adding this component, and the S/N for the H$\alpha$ broad component is only $\sim$0.5. This suggests that the broad H$\alpha$ line, if there is any, is extremely weak in J1302. The ratios of the narrow lines [OIII] $\lambda$5007/H$\beta\,>$ 4.8 (using 3$\sigma$ upper limit of H$\beta$ line flux), and [NII] $\lambda$6583/H$\alpha$ = 2.3, place J1302 into the Seyfert regime on the BPT diagram of Kewley et al. (2006). The flux ratios of [SII]/H$\alpha$ and [OI]/H$\alpha$ are 0.56 and 0.32, respectively, further strengthening the Seyfert nature of J1302 according to line ratio diagnostic diagrams of Kewley et al. (2006). ### 2.2. X-ray Observations J1302 was observed by XMM-Newton EPIC cameras in December 2000 with a total exposure time of 29 ks. It was detected $\sim$7.3 arcmin away from the center of the field of view in the XMM-Newton imaging of the Coma cluster (ObsID 0124710801). The XMM-Newton data were reprocessed with the Science Analysis Software version 11.0.0, using the calibration files as of December 2011. We used principally the PN data, which have much higher sensitivity, using the MOS data only to check for consistency. Spectra and light curves of source were extracted from a circular region with a radius of 40$\arcsec$ centered at the source position for both PN and MOS cameras. Background spectra were made from source-free areas on the same chip using four circular regions identical to the source region. The epochs of high background events were examined and excluded by using the light curves in the energy band above 12 keV. The Chandra pointing observation of J1302 was taken in June 2009 for about 5 ks. The data were processed with CIAO (version 4.3) and CALDB (version 4.4.1), following the standard criteria. Fig. 2 shows the Chandra X-ray contours of J1302, overlaid on the HST image in the B band. It is clear from the figure that the X-ray emission of J1302 is point-like. The center for the X-ray source is coincident with the optical nucleus of the galaxy (with a positional offset of $\sim$0.1$\arcsec$). Given the subarcsecond spatial resolution of Chandra, we conclude that most of the X-ray emission, if not all, comes from the nuclear region of the galaxy, likely related to the AGN. ### 2.3. X-ray light curve Light curves from the XMM-Newton and Chandra observations are shown in Fig. 3. The source exhibits large-amplitude count rate variations in both observations. It can be seen from the PN light curve that there is a giant flare with count rates rising by a factor of 5 times the average value, having a duration of $\sim$2 ks. The X-ray flux then declines to a relatively steady state. Such X-ray flare is confirmed by the MOS light curves, in which a possible decline of another flare is also recorded at the beginning of the MOS observation. The time interval of the two flares is about 17 ks. Interestingly, similar flare is seen in the Chandra light curve, with count rates increasing by a factor of 7 within $\sim$1 ks. The similar amplitudes of flares in the XMM-Newton and Chandra observations which span $\sim$ 9 years suggest that the flare behaviour in J1302 seems persistent on time scale of $\sim$ decade. The spectral variability during the flare will be explored in detail in Section 2.4. ### 2.4. X-ray Spectra As both XMM-Newton and Chandra observations show peculiar flare behaviours, we attempt to quantify the spectral variability during flares by dividing the data into high and low flux intervals, using count rate thresholds of 0.35 counts s-1 for XMM-PN and 0.08 counts s-1 for Chandra, respectively. For simplicity, we classify the data above the count rate thresholds as belonging to the flare state, and that which falls below, to the quiescent state. The spectra data were grouped in the following manner: data from the XMM-Newton had at least 20 counts per bin to ensure the $\chi^{2}$ statistics, and the Chandra data had at least 3 counts per bin and utilized the $C$-statistics which was adopted for minimization. Spectral fitting was performed using the XSPEC (Version 12.6) and limited to the 0.2–2 keV range for XMM-Newton, since the emission is background dominated above that energy range. The Chandra data was fitted in the energy range between 0.3 and 3 keV. Throughout the model fittings, the Galactic column density was considered and fixed at $N_{\rm H}^{\rm Gal}=0.75\times 10^{20}$ cm-2 (Kalberla et al., 2005). Spectral variability is clearly present between the two states with the source being much harder in the flare state. To illustrate the differences in the spectral slope between the two states, we show the spectra together with an absorbed power-law model in Figure 4. While the fit is generally acceptable for the two states, as confirmed by the reduced $\chi^{2}$ value (see Table 1), the photon indices obtained from a power-law fit are, however, extremely steep with $\Gamma$ = $4.4^{+0.5}_{-0.4}$ for $N_{H}=4.3^{+2.2}_{-1.8}\times 10^{20}$ cm-2, and $\Gamma$ = $7.1^{+0.9}_{-0.7}$ for $N_{H}=3.6^{+1.9}_{-1.6}\times 10^{20}$ cm-2, for the XMM flare and quiescent state, respectively. The photon indices belong to the steepest values obtained from AGN X-ray spectra. For comparison, the mean photon index in the 0.2–2.0 keV band is $\sim 2.9$ for a sample of soft X-ray selected AGNs observed with the ROSAT RASS (Grupe et al., 2010). The result of this comparison indicates that the X-ray spectrum of J1302 is extremely soft compared to other AGNs. The absorption-corrected luminosity in the 0.5–2.0 keV range for this simple power-law model is $6.7\times 10^{41}$ and $2.8\times 10^{40}$ ${\rm erg\ s^{-1}}$ for the XMM flare and quiescent state, respectively. In order to further investigate the spectral variability in J1302, we then attempted to fit the spectra with a blackbody (bbody in XSPEC) or Multiple Color Disk model (MCD, diskbb in XSPEC), and a thermally Comptonized disk model (compTT in XSPEC, Titarchuk, 1994), both of these alternative models have been used to fit the spectra of Galactic BHBs (e.g., Done et al., 2007), and the soft X-ray excess emission in AGNs (e.g., Porquet et al., 2004; Patrick et al., 2012) . The diskbb model integrates over the surface of accretion disk to form a multicolor blackbody spectrum, and compTT is an analytic model that self-consistently calculates the spectrum produced by the Comptonization of soft seed photons in a hot corona above the accretion disk. The physical parameters of the compTT model are: the soft photon temperature ($kT_{0}$), the temperature of the Comptonizing electrons ($kT_{e}$), the plasma scattering optical depth ($\tau$). For our fitting with the compTT model, a disk geometry was assumed for the comptonizing region, and the seed photons were assumed to follow Wien’s law with a temperature of 22 eV (the expected disk temperature in section 3.2). Because the temperature and optical depth of the Comptonizing plasma are strongly coupled (both are equally involved in shaping the spectrum) and thus cannot be constrained simultaneously, we fixed the plasma temperature at 20 keV and obtained constraints on the optical depth111 Leaving the plasma temperature as a free parameter yields $kT_{e}=21(<27)$ keV and $\tau<1.3$ for the XMM quiescent state spectrum, but both parameters cannot be constrained by the data during the flare.. The single Comptonized model yields consistent fitting results with the previous simple power-law model for the spectrum at both states. The Compton optical depth is $\tau=0.16^{+0.07}_{-0.05}$ and $\tau<0.03$ for the flare and quiescent state, respectively. For the spectrum in the XMM-Newton flare state, a multicolor-disk blackbody gives equivalent fit, which is statistically better than the simple blackbody emission. The spectrum at the XMM-Newton quiescent state, however, shows an excess of emission at energies above $\sim$ 0.7 keV when fitted with a thermal model (bbody or diskbb). The addition of a power-law to the model improves the fit with very high statistical significance ($\chi^{2}$ decreased by 13.9 for two extra parameters, at a 99.98% level according to $F$-test). The power-law component contributes $\sim$15% of the total luminosity in the 0.3–2 keV band. In this case, we obtain an effective blackbody temperature of $kT_{\rm BB}=43^{+6}_{-3}$ eV, comparable to the seed photon temperature assumed in the compTT model. Although with large uncertainties, the additional power-law component is relatively steep with photon index $\Gamma=4.3^{+1.6}_{-1.9}$, and it is close to what is observed in the flare state. The spectral fitting results for the PN data, alongside the observed flux and intrinsic luminosity in the 0.5–2 keV range for each model, are shown in Table 1. Note that we used the same models to fit the MOS data and found that the results agree well with the PN data. The Chandra spectra were fitted with the same models used in the XMM-Newton observation and the results are listed in Table 1. During the first run we found that the photon indices derived from the simplest power-law model are systematically flatter than the values for the XMM-Newton data. The spectrum during the flare can be well fitted by a power-law model ($C$/dof=22.5/22). On the other hand, a power-law model is not sufficient to fit the data at the Chandra quiescent state. The addition of a soft thermal component with respect to the power-law model improves the fit significantly ($C$ value decreases by $\sim$9 for two extra parameters, corresponding to a significance level of 98.7%). The resulting best-fit photon index is flatter, with $\Gamma=3.5^{+0.8}_{-1.0}$. Similarly, we obtain an effective disk temperature, when fitted with a blackbody, of $kT_{\rm BB}=29^{+19}_{-16}$ eV. This value is slightly lower than the blackbody temperature for the XMM-Newton quiescent state, but the parameter is loosely constrained due to the poor statistics of the Chandra data. The power-law component in this case contributes $\sim 40\%$ of the total luminosity in the 0.3–2 keV, indicating a possible change of the power-law or the blackbody emission between Chandra and XMM-Newton observations. Although a Comptonized model as opposed to a power-law model also provides a good fit for the Chandra flare state spectrum, it is not sufficient to fit the data at the quiescent state. The addition of an extra hard power-law component is needed at a significance level of 98.7% according to $F$-test. The best- fitted optical depth $\tau$ for the compTT model is not significantly different from that obtained with the XMM-Newton data. The unabsorbed luminosity in the 0.5–2 keV band, based on the best-fit power-law model and the diskbb+power-law model for the Chandra flare and quiescent state, is $5.1\times 10^{41}$ and $4.4\times 10^{40}$ erg s-1, respectively. ## 3\. Discussion ### 3.1. AGN characteristics in RX J1301.9+2747 X-ray observation with Chandra , which has superb spatial resolution of $\sim 0.5\arcsec$, revealed the presence of an AGN in J1302: the center of the bright unresolved X-ray emission coinciding with the optical point-like nucleus of the galaxy (with a position offset of $\sim 0.1\arcsec$). Both the Chandra and XMM-Newton observations show that it has Seyfert-like X-ray luminosity of $\sim 10^{41}$ erg s-1 in the energy range of 0.5–2 keV ( $\sim 10^{42}$ erg s-1 in the 0.2–2 keV band ), and rapid X-ray variability down to a time-scale $\sim$ 1 ks. Additionally, the optical spectrum of J1302 displays Seyfert-like narrow emission line ratios. All these observational facts point to the presence of an AGN (Seyfert nucleus) in this galaxy. This can be further supported by the point-like appearance of a nuclear source from the HST imaging observations with $\sim 0.1\arcsec$ resolution (Caldwell et al., 1999). Based on ROSAT X-ray observations, Dewangan et al. (2000) argued for the presence of an AGN in J1302, a view that is consistent with ours on the basis of the new observations. However, based on their observed optical spectrum, Dewangan et al. conclude that the galaxy nucleus is more like a LINER. In this paper, we have carefully modeled the host galaxy’s starlight, especially the stellar absorption features, and subtracted them from the new SDSS spectrum, enabling us to accurately measure the weak AGN emission lines in J1302 (e.g., Dong et al., 2005), thus more resolutely confirming the Seyfert nature based on the line ratio diagnostics. The lack of detectable broad permitted lines prevents us from estimating the central BH mass of J1302 using conventional linewidth-luminosity-mass scaling relation. In the SDSS spectral fitting, we found the strongest narrow line, [OIII]$\lambda$5007, is marginally resolved with Gaussian $\sigma=58\pm 9$ km s-1 (after correcting for the instrument resolution).Using the width of the [OIII]$\lambda$5007 line as a proxy for the stellar velocity dispersion of the host galaxy, we obtained a BH mass of $M_{\rm BH}=8\times 10^{5}M_{\odot}$ with an intrinsic scatter of 0.5 dex (e.g., Xiao et al., 2011). The bolometric luminosity for J1302 can be estimated from the optical continuum luminosity. We retrieved the high resolution HST/WFPC2 images of J1302 in the $B$ (F450W filter) and $I$ (F814W filter) passbands from the HST archive. The HST observations (dataset U39D0301M–U39D0304M) were made in July 1997, with two 600 s exposures in the $B$ band and two 400 s exposures in the $I$ band, respectively. The images were processed using the standard HST pipeline routines in IRAF/STSDAS222http://www.stsci.edu/institute/software_hardware/stsdas. We then performed two-dimensional profile decompositions of this galaxy with the code GALFIT (version 3.0, Peng et al. 2010). Our model consists of an exponential disk component, a bulge component, and an unresolved central point source for the nuclear AGN emission. In our GALFIT modeling, the point-spread function was generated by the $\tt{Tiny\,Tim}$ software (Krist et al., 1995). Note that the bulge for this galaxy displays a box/peanut shape, which is commonly seen in edge-on barred disk galaxy, consequently we added a boxiness parameter to the bulge profile in GALFIT. The model generally matches the data well ($\chi^{2}_{\nu}\sim 1.02$). The inferred flux for the central point source in the $B$-band is $M_{B}$ = -15.8, corresponding to a nuclear luminosity of $\nu L_{\nu B}$ = $8\times 10^{41}$ erg s-1. For comparison, the B-band bulge luminosity of this galaxy derived from the GALFIT decomposition is LB,bulge $\sim 6\times 10^{42}$ erg s-1. If indeed the nuclear emission comes from AGN333Note that we have not accounted for the dust extinction in estimating the luminosity., we estimate the bolometric luminosity to be $1\times 10^{43}$ ${\rm erg\ s^{-1}}$ using the $B$-band luminosity for the central point source by adopting a bolometric correction of 13 (Marconi et al., 2004). For a BH mass of $8\times 10^{5}M_{\odot}$, the accretion rate in Eddington unit is $L/L_{\rm{EDD}}\sim$ 0.1, which suggests J1302 is accreting at high Eddington ratio. ### 3.2. Extremely Soft X-ray Emission One of the remarkable features of J1302 is the extreme softness of the X-ray spectra. The best-fitted power-law index for the spectrum in the XMM-Newton quiescent state ($\Gamma\sim 7$) is one of the steepest soft X-ray photon indices among AGNs (e.g., Grupe et al., 1995; Boller et al., 2011). Understanding the origin of the ultrasoft X-ray emission will help to pin down the nature of the source. Some AGNs such as NLS1s can be very soft (e.g., Boller et al., 1996; Middleton et al., 2007), showing a strong soft X-ray excess over an underlying power-law component. The strength of soft excess can be quantitatively described as the ratio of flux at 0.5 keV to the power law extrapolation of the fitting to the spectrum above 2 keV (Middleton et al., 2007). Since no significant hard X-ray emission above $\sim$2 keV was detected in the XMM observation of J1302, we estimated 90% confidence upper limit on the count rates in 2–7 keV, $\sim 6.7\times 10^{-4}$ counts s-1, and converted it to an upper limit on the extrapolated flux at 0.5 keV. XSPEC simulations of models with power-law $\Gamma$ = 2, 2.5 and 3 show that the lower limits on the ratios defined above are 37, 15 and 6.1, respectively. Note that the ratios for a sample of NLS1s (Middleton et al., 2007) are usually found to be less than 10. Thus, the soft emission relative to that at the hard X-rays in J1302 is extremely strong compared to other AGNs. The origin of soft excess is still unclear. The spectrum at the XMM quiescent state can be fitted well by a Comptonized model and a blackbody plus power-law emission equally. Interestingly, the fitted blackbody temperature ($kT_{\rm BB}=43^{+6}_{-3}$ eV) is much lower than the canonical values of $\sim$ 0.1–0.2 keV found for AGNs (Crummy et al., 2006). Standard accretion disk models (Shakura & Sunyaev, 1973) give a maximum effective temperature of the accreting material $kT_{\rm max}\sim$ $11.5(\dot{m}/M_{8})^{1/4}$ eV, where $\dot{m}$ is mass accretion rate in Eddington unit and $M_{8}$ = $M_{\rm BH}/10^{8}M_{\odot}$. Using $M_{\rm BH}=8\times 10^{5}M_{\odot}$ and $\dot{m}\sim 0.1$ for J1302, we obtained $kT_{\rm max}\sim$22 eV, which is comparable to the fitted blackbody temperature. Note that though with larger uncertainties, the lower fitted temperature for the Chandra quiescent state data ($kT_{\rm BB}=29^{+19}_{-16}$ eV) is more compatible with the predicted maximum disk temperature. Therefore, the ultrasoft X-ray emission in J1302 may be connected with the direct thermal emission from the accretion disk. Another constraint on the X-ray spectra due to thermal disk emission can come from the optical/UV data. The optical $B$-band flux of nuclear point source from the HST observation is, however, much higher than the extrapolated MCD flux in the optical ($M_{B}\sim-12.7$), about one order of magnitude difference. The difference cannot be explained by the contamination from nuclear star clusters, as they have typical absolute $I$-band magnitudes between $-14$ and $-10$ (Böker et al., 2002), much lower than the observed $I$-band flux of J1302 nucleus ($M_{I}\sim-16.8$, obtained with the same GALFIT decomposition of the HST/WFPC2 image as detailed in Section 3.1). To further investigate this difference we need a more realistic disk spectral modeling, and fit to a broader band data, which is beyond the scope of this paper. ### 3.3. Unusual X-ray variability Another unusual feature of J1302 is that it clearly shows two distinct states in the X-ray, a flare (or eruptive) state and a quiescent state. The amplitudes of the flare in the Chandra and XMM-Newton light curves look very similar, with the count rates increased by a factor of 5–7 within $\sim$1–2 ks. Both the XMM-Newton observation in 2000 and the Chandra observation in 2009 detected rapid flares, suggesting that the flare itself appears repetitive and occurs very frequently in the object. In fact, ROSAT PSPC observations also found that the object is highly variable and demonstrates a rapid flare event in light curve lasting $\sim$1.3 ks (Dewangan et al., 2000). The rapid energetic flare in J1302 is fairly rare among Seyfert galaxies and quasars, although some extreme variations have also been found in objects such as IRAS 13224-3809 (Boller et al., 1997) and PKS 0558-504 (Wang et al., 2001). As discussed by Wang et al. (2001), a magnetic coronal model in which electrons in the corona are continuously heated by magnetic reconnection, can produce rapid energetic X-ray flare. A realistic physical model to explain a rapid energetic flare in AGNs, and the comparison with Galactic BHBs are beyond the scope of this work and will be presented elsewhere. The spectral variability is clearly present between the two flux states with the source being much harder in the flare state. This behavior is markedly contrast to what is commonly seen in AGNs and BHBs (e.g., Markowitz & Edelson, 2004; Done et al., 2007). Clearly the spectral variability cannot be explained by any simple spectral model. One possibility is that the spectrum in the quiescent state is represented by a relatively stable thermal emission from accretion disk, and the spectral variability is caused by the flux variations of a second additional component such as strongly Comptonized power-law emission. This perhaps explains why the photon index for the power-law emission in the XMM-Newton flare state (which dominates the spectrum) is consistent with the additional power-law component in the quiescent state, whose strength is relatively weak. In this case, the underlying power-law emission is still steep ($\Gamma\sim$4) compared to other AGNs, the nature of which remains understood. Note that similar spectral change has also been seen in the Chandra observation of J1302, though the spectra statistics for the data is low. Longer X-ray observations are required to examine the presence of persistent flares and to investigate the origin of spectral variability during flare periods. This can in turn shed new lights on the characteristics of corona and accretion flows around BHs. This research made use of the HEASARC online data archive services, supported by NASA/GSFC. We would like to thank the anonymous referee for his/her helpful comments to improve the content of the paper. 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G. 2010, ApJ, 723, 508 Table 1Spectral fitting results for the XMM-Newton and Chandra observation at different states XMM-PN flare state --- wabs*modela | $\rm{N_{H}}$ | $\Gamma$ | kT | $\tau$b | $\chi^{2}$/d.o.f. | F0.5-2keVc | L0.5-2keVc | | ($10^{20}\,\rm{cm}^{-2}$) | | (eV) | | | ($10^{-14}$ erg s-1 cm-2) | ($10^{40}$ erg s-1) | powl | $4.3^{+2.2}_{-1.8}$ | $4.4^{+0.5}_{-0.4}$ | | | 40.4/28 | 40 | 67 | bbody | 0.75(fixed)d | | $99^{+6}_{-5}$ | | 55.5/29 | 38 | 54 | diskbb | 0.75(fixed) | | $134^{+9}_{-9}$ | | 43.7/29 | 39 | 55 | compTTe | $4.3^{+2.2}_{-1.8}$ | | | $0.16^{+0.07}_{-0.05}$ | 40.3/28 | 40 | 67 | XMM-PN quiescent state powl | $3.6^{+1.9}_{-1.6}$ | $7.1^{+0.9}_{-0.7}$ | | | 27.9/40 | 1.6 | 2.8 | bbody+powl | 0.75(fixed) | $4.3^{+1.6}_{-1.9}$ | $43^{+6}_{-3}$ | | 26.3/39 | 1.7 | 2.5 | diskbb+powl | 0.75(fixed) | $3.7^{+2.0}_{-2.0}$ | $52^{+5}_{-5}$ | | 25.9/39 | 1.7 | 2.6 | compTT | $2.9^{+1.4}_{-1.3}$ | | | 0.016($<$0.03) | 27.7/40 | 1.6 | 2.7 | Chandra flare state wabs*model | $\rm{N_{H}}$ | $\Gamma$ | kT | $\tau$ | $C$/d.o.f. | f0.5-2keV | Lintr,0.5-2keV | | ($10^{20}\,\rm{cm}^{-2}$) | | (eV) | | | ($10^{-14}$ erg s-1 cm-2) | ($10^{40}$ erg s-1) | powl | 3.7($<$11) | $3.2^{+1.1}_{-0.6}$ | | | 22.5/22 | 34 | 51 | bbody | 0.75(fixed) | | $195^{+24}_{-20}$ | | 27.6/23 | 35 | 47 | diskbb | 0.75(fixed) | | $275^{+51}_{-38}$ | | 22.5/23 | 35 | 47 | compTT | 3($<$20) | | | $0.44^{+0.28}_{-0.28}$ | 22.5/22 | 34 | 50 | Chandra quiescent state powl | 0.75(fixed) | $4.5^{+0.6}_{-0.6}$ | | | 16.5/14 | 3.7 | 5.3 | bbody+powl | 0.75(fixed) | $3.5^{+0.8}_{-1.0}$ | $29^{+19}_{-16}$ | | 8.0/12 | 3.2 | 4.5 | diskbb+powl | 0.75(fixed) | $3.5^{+0.8}_{-1.0}$ | $32^{+25}_{-18}$ | | 8.0/12 | 3.2 | 4.4 | compTT+powl | 0.75(fixed) | 2.8($<$3.9) | | 0.01($<$0.09)f | 8.1/12 | 3.1 | 4.3 | * a Spectral model (as given in XSPEC) multiplied by a neutral absorption (wabs) with column density $\rm{N_{H}}$. wabs is the photo-electric absorption model using Wisconsin–Morrison & McCammon (1983) cross-sections. * b Plasma optical depth in the CompTT model. * c $F_{\rm 0.5-2keV}$ is the observed 0.5–2 keV flux in units of $10^{-14}$ ${\rm erg\ cm^{-2}\ s^{-1}}$ . $L_{\rm 0.5-2keV}$ is the unabsorbed luminosity in the energy range of 0.5–2 keV, in units of $10^{40}$ ${\rm erg\ s^{-1}}$ . * d The column density was fixed to Galactic value $\rm{N_{H}^{Gal}}$ if the fitting yields a $\rm{N_{H}}<$$\rm{N_{H}^{Gal}}$. * e The spectrum of the seed photons is assumed to be Wien law with a temperature of 22 eV (see Section 3.2 for details). We fixed the plasma temperature at 20 keV and obtained constraints on the optical depth. * f Pegged at the minimum value allowed in XSPEC. Figure 1.— Illustration of the continuum and emission-line fittings of the SDSS spectrum. Left panel: observed spectrum (black), stellar continuum model (green) and residual (blue) which is used to fit the emission lines. Right panel: a zoomed-in view of the emission-line profile fitting for the H$\alpha$+[NII] and the [SII] doublet lines. The inset in the left panel shows a zoomed-in view of the H$\beta$ and [OIII] region. Gaussian line models are plotted in cyan line, and the residual is shown in the lower panel. In the emission-line fits, the line ratios of [OIII] and [NII] doublet lines are fixed to the theoretical values. Figure 2.— Contours of the Chandra image (green) overlaid with the HST $B$-band image. The direction of north is up and east is left. White plus marks the position of the central point source from the HST imaging. For comparison, the center of the radio emission obtained with the Very Large Array (Miller et al., 2009) is shown in cyan cross. Figure 3.— XMM-Newton and Chandra light curves for J1302. Top panel: XMM-PN and the summed MOS1+MOS2 light curves, with a time bin size of 100 s. The PN and MOS background light curves are also shown for comparison (lower panel). Bottom panel: Chandra light curve with the same bin size as XMM-Newton. The dotted lines represent the count rate thresholds dividing the data into flare and quiescent state, which are 0.35 counts s-1 for XMM-PN, and 0.08 counts s-1 for Chandra , respectively. Figure 4.— Top panel: Spectra of the XMM-Newton flare state (black) and the quiescent state (red) for J1302. Only the PN data are shown for clarity. The solid lines are the simple power-law model fits for both states, and the corresponding residuals are shown in the lower panels. Bottom panel: as top panel, but showing for the Chandra data.
arxiv-papers
2013-04-11T10:05:26
2024-09-04T02:49:44.176952
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Luming Sun (USTC), Xinwen Shu (USTC) and Tinggui Wang (USTC)", "submitter": "Xinwen Shu", "url": "https://arxiv.org/abs/1304.3244" }
1304.3249
J.Y. Moyen and P. Parisen Toldin # A polytime complexity analyser for Probabilistic Polynomial Time over imperative stack programs. J.Y. Moyen LIPN, UMR 7030, CNRS, Universitè Paris 13 F-93430 Villetaneuse, France. [email protected] P. Parisen Toldin Dipartimento di Scienze dell’Informazione, Università di Bologna Équipe FOCUS, INRIA Sophia Antipolis Mura Anteo Zamboni 7, 40127 Bologna, Italy. [email protected] ###### Abstract. We present ${\mathbf{iSAPP}}$ (Imperative Static Analyser for Probabilistic Polynomial Time), a complexity verifier tool that is sound and extensionally complete for the Probabilistic Polynomial Time ($\mathbf{PP}$) complexity class. ${\mathbf{iSAPP}}$ works on an imperative programming language for stack machines. The certificate of polynomiality can be built in polytime, with respect to the number of stacks used. ###### keywords: ICC, Probabilistic Polytime, Static verifier ###### 1991 Mathematics Subject Classification: Theory, Verification ## 1\. Introduction One of the crucial problem in program analysis is to understand how much time it takes a program to complete its run. Having a bound on running time or on space consumption is really useful, specially in fields of information technology working with limited computing power. Solving this problem for every program is well known to be undecidable. The best we can do is to create an analyser for a particular complexity class able to say “yes”, “no”, or “don’t know”. Creating such an analyser can be quite easy: the one saying every time “don’t know” is a static complexity analyser. The most important thing is to create one that answers “don’t know” the minimum number of time as possible. We try to combine this problem with techniques derived from Implicit Computational Complexity (ICC). Such research field combines computational complexity with mathematical logic, in order to give machine independent characterisations of complexity classes. ICC has been successfully applied to various complexity classes such as $\mathbf{FP}$ [2, 11, 4], $\mathbf{PSPACE}$ [12], $\mathbf{LOGSPACE}$ [8]. ICC systems usually work by restricting the constructions allowed in a program. This _de facto_ creates a small programming language whose programs all share a given complexity property (such as computing in polynomial time). ICC systems are normally extensionally complete: for each function computable within the given complexity bound, there exists one program in the system computing this function. They also aim at intentional completeness: each program computing within the bound should be recognised by the system. Full intentional completeness, however, is undecidable and ICC systems try to capture as many programs as possible (that is, answer “don’t know” as little time as possible). Having an ICC system characterising a complexity class $\mathcal{C}$ is a good starting point for developing a static complexity analyser. There is a large literature on static analysers for complexity bounds. We develop an analysis recalling methods from [9, 3, 10]. Comparatively to these approaches our system works with a more concrete language of stacks, where variables, constants and commands are defined; we are also sound and complete with respect to the Probabilistic Polynomial time complexity class ($\mathbf{PP}$) [7]. We introduce a probabilistic variation of the Loop language. Randomised computations are nowadays widely used and most of efficient algorithms are written using stochastic information. There are several probabilistic complexity classes and $\mathbf{BPP}$ (which stands for Bounded-error Probabilistic Polytime) [7] is considered close to the informal notion of feasibility. Our work would be a first step into the direction of being able to capture real feasible programs solving problems in $\mathbf{BPP}$ ($\mathbf{BPP}\subseteq\mathbf{PP}$) [7]. Similar work has been done in [6] with characterisation of complexity class $\mathbf{PP}$; This work gives a characterisation of complexity class $\mathbf{PP}$ by using a functional language with safe recursion as in Bellantoni and Cook [2]. Our system is called ${\mathbf{iSAPP}}$, which stands for _Imperative Static Analyser for Probabilistic Polynomial Time_. It works on a prototype of imperative programming language based on the Loop language [14]. The main purpose of this paper is to present a minimal probabilistic polytime certifier for imperative programming languages. Following ideas from [9, 3] we “type” commands with matrices, while we do not type expressions since they have constant size. The underlying idea is that these matrices express a series of polynomials bounding the size of stacks, with respect to their input size. The algebra on which these matrices and vectors are based is a finite (more or less tropical) semi-ring. ## 2\. Stacks machines We study _stacks machines_ , a generalisation of the classical counters machines. Informally, a stacks machine work with _letters_ belonging to a finite alphabet and _stacks_ of letters. Letters can be manipulated with _operators_. Typical alphabet include the binary alphabet $\\{0,1\\}$ or the set long int of 64 bits integers. On the later, typical operators are $+$ or $*$. Each machine has a finite number of registers that may hold letters and a finite number of stacks that may hold stacks. Tests can be made either on registers and letters (with boolean operators) or to check whether a given stack holds the empty stack. There are only bounded (for) loops which are controlled by the size of a given stack. That is, it is more alike a foreach (element in the stack) loop. Since there are only bounded loops (and no while), this _de facto_ limits the language to primitive recursive functions. In this way, stack machines are a generalisation of the classical Loop language [14]. Since our analysis is compositional, we add also functions to the language; their certificates can be computed separately and plugged in the right place when a call is performed. ### 2.1. Syntax and Semantics We denote $\langle\rangle$ the empty stack and $\langle a_{1}\ldots a_{n}\rangle$ the stack with $n$ elements and $a_{1}$ at top. ###### Definition 2.1. A _stacks machine_ consists in: * • a finite alphabet $\Sigma=\\{a_{1},\ldots,a_{n}\\}$ containing at least two values $\mathsf{true}$ and $\mathsf{false}$; * • a finite set of operators, $\mathtt{op}_{i}$, of type $\Sigma^{n}\to\Sigma$, containing at least a 0-ary operator $\mathtt{rand}$, operators whose co- domain is $\\{\mathsf{true},\mathsf{false}\\}$ are _predicates_ noted $\mathtt{op?}$; * • a finite set of registers $\mathbf{r}$ and stacks, $\mathtt{S}_{j}$ (the empty stack is noted $\langle\rangle$); * • and a program written in the following syntax: $\displaystyle b\in\mathtt{BooleanExp}::=$ $\displaystyle\mathsf{true}\,|\,\mathsf{false}\,|\,\mathtt{op?}(e_{1},\ldots,e_{n})\,|\,\mathtt{rand}()\,|\,\mathtt{isempty?}(\mathtt{S})$ $\displaystyle e\in\mathtt{Expressions}::=$ $\displaystyle c\,|\,\mathbf{r}\,|\,\mathtt{op}(e_{1},\ldots,e_{n})\,|\,\mathtt{top}({\mathtt{S}})$ $\displaystyle C\in\mathtt{Commands}::=$ $\displaystyle\textbf{skip}\,|\,\mathbf{r}:=e\,|\,\mathtt{S}_{1}:=\mathtt{S}_{2}\,|\,\mathtt{S}:=\langle c_{1}\ldots c_{n}\rangle\,|\,\mathtt{S}_{k}:=\textbf{call}(f,\mathtt{S}_{1}\ldots\mathtt{S}_{n})$ $\displaystyle\,|\,\textbf{pop}({\mathtt{S}})\,|\,\textbf{push}(e,\mathtt{S})\,|\,C;C\,|\,\textbf{If }\,b\,\textbf{ Then }\,C\,\textbf{ Else }\,C\,|\,\textbf{loop}\,{\mathtt{S}}\,\\{{C}\\}$ $\displaystyle f\in\mathtt{Functions}::=$ $\displaystyle\textbf{def }{f}\textbf{ in }{(\mathtt{S}_{1}\ldots\mathtt{S}_{n})}\,\,\\{{C}\\}\,\,\textbf{out}{(\mathtt{S}_{j})}$ Note that registers may not appear directly in booleans expressions to avoid dealing with the way non-booleans values are interpreted as booleans. However, it is easy to define a unary predicate which, _e.g._ sends $\mathsf{true}$ to $\mathsf{true}$ and every other letter to $\mathsf{false}$ to explicitly handle this. Expressions always return letters (content of registers) while commands modify the state but do not return any value. $\mathtt{top}({\ })$ does not destruct the stack but simply returns its top element while $\textbf{pop}({\ })$ remove the top element from the stack but does not return anything. It is also possible to assign constant stack to a stack. The $\mathtt{isempty?}($) predicate returns $\mathsf{true}$ if and only if the stack given in argument holds the empty stack and $\mathsf{false}$ otherwise. The $\textbf{loop}\,{\mathtt{S}}\,\\{{C}\\}$ commands executes $C$ as many time as the size of $\mathtt{S}$. Moreover, $\mathtt{S}$ may not appear in $C$. It is, however, possible to make a copy beforehand if the content is needed within the loop. Finally, we give the possibility to have function call. The command $\textbf{call}(f,\mathtt{S}_{1}\ldots\mathtt{S}_{n})$ call the function $f$ passing the actual arguments $\mathtt{S}_{1}\ldots\mathtt{S}_{n}$ and finally return the result stored in the stack $\mathtt{S}_{j}$. ### 2.2. Complexity The set of operators is not specified and may vary from one stacks machine to another (together with the alphabet). This allows for a wide variety of settings parametrised by these. Typical alphabets are the binary one ($\\{\mathsf{true},\mathsf{false}\\}$), together with classical boolean operators (not, and, …); or the set long int of 64 bits integers with a large number of operators such as +, *, <, …Since there is only a finite number of letters and operators all have the alphabet as domain and co-domain, there is only a finite number of operators at each arity. So, without going deep into details, it makes sense to consider that each operator take a constant time to be computed. More precisely, each operator can be computed within a time bounded by a constant. Typically, on long int, + can be computed in 64 elementary (binary) additions and * takes a bit more operations but is still done in bounded time. Thus, in order to simplify the study, we consider that operators are computed in constant time and we do not need to take individual operators into account when bounding complexity. It is sufficient to consider the number of operators. The only thing that is unbounded is the size (length) of stacks. Thus, if one want, _e.g._ to handle large integers (larger than the size of the alphabet), one has to encode them within stacks. The most obvious ways being the unary representation (a number is represented by the size of a stack) and the binary one (a stack of 0 and 1 is interpreted as a binary number with least significant bit on top). Obviously, any other base can be use. In each case, addition (and multiplication) has to be defined for this representation of “large integers” with the tools given by the language (loops). Of course, encoding unbounded value is crucial in order to simulate arbitrary Turing Machines (or even simply Ptime ones) and is thus required for the completeness part of the result. Note that copying a whole stack as a single instruction is a bit unrealistic as it would rather takes time proportional to the size of the stack. However, since each stack will individually be bounded in size by a polynomial, this does not hampers the polynomiality of the program. A clever implementation of stacks with pointers (_i.e._ as lists) will also allow copy of a whole stack to be implemented as copy of a single pointer, an easy operation. Since the language only provides bounded loops whose number of execution can be (dynamically) known before executing them, only primitive recursive functions may be computed. This may look like a big restriction but actually is quite common within classical ICC results on Ptime. Notably, Cobham [5] or Bellantoni and Cook [2] both work on restrictions of the primitive recursion scheme; Bonfante, Marion and Moyen [4] split the size analysis (quasi- interpretation) from a termination analysis (termination ordering) which also characterise only primitive recursive programs; and lastly Jones and Kristiansen [9], on which this work is directly based, use the Loop language which also allows only primitive recursion. Since loops are bounded by the size of stacks, it is sufficient to bound the size of stacks in order to bound the time complexity of the program. Indeed, if each stack has a size smaller than $p$ and the program has never more than $k$ nested loops, then its runtime cannot be larger than $p^{k}$. Similarly, in the original $mwp$ calculus of Jones and Kristiansen, it was sufficient to bound the value of stacks in order to bound the runtime of programs (for the same reasons). Note that to have a large number of iterations, one first has to create a stack of large size, that is when bounding the number of iterations stacks are considered _de facto_ as unary numbers. For each stack, we keep the dependencies it has from the other stacks. For example, after a copy ($\mathtt{S}_{1}:=\mathtt{S}_{2}$), the size of $\mathtt{S}_{1}$ is the same as the size of $\mathtt{S}_{2}$. Keeping precise dependencies is not manageable, so we only keep the _shape_ of the dependence (_e.g._ the degree with which it appear in a polynomial). These shapes are collected in a vector (for each stack) and combining all of them gives a matrix certificate expressing the size of the output stacks relatively to the size of the input stacks. The matrix calculus we obtain for the certificates is compositional. This allows for a modular approach of building certificates. ## 3\. Algebra Before going deeply in explaining our system, we need to present the algebra on which it is based. ${\mathbf{iSAPP}}$ is based on a finite algebra of values. The set of scalars is $\mathtt{Values}=\\{0,L,A,M\\}$ and these are ordered in the following way $0<L<A<M$. The idea behind these elements is to express how the value of stacks influences the result of an expression. $0$ expresses no-dependency between stack and result; $L$ (stands for “Linear”) expresses that the result linearly depends with coefficient $1$ from this stack. $A$ (stands for “Additive”) expresses the idea of generic affine dependency. $M$ (stands for “Multiplicative”) expresses the idea of generic polynomial dependency. We define sum, multiplication and union in our algebra as expressed in Table 1. The reader will immediately notice that $L+L$ gives $A$, while $L\cup L$ gives $L$ The operator $\cup$ works as a maximum. $\times$ | 0 | L | A | M ---|---|---|---|--- 0 | 0 | 0 | 0 | 0 L | 0 | L | A | M A | 0 | A | A | M M | 0 | M | M | M + | 0 | L | A | M ---|---|---|---|--- 0 | 0 | L | A | M L | L | A | A | M A | A | A | A | M M | M | M | M | M $\cup$ | 0 | L | A | M ---|---|---|---|--- 0 | 0 | L | A | M L | L | L | A | M A | A | A | A | M M | M | M | M | M Table 1. Multiplication, addition and union of values Over this semi-ring we create a module of matrices, where values are elements of $\mathtt{Values}$. We define a partial order $\leq$ between matrices of the same size as component wise ordering. Particular matrices are $\mathbf{0}$, the one filled with all $0$, and $\mathbf{I}$, the identity matrix, where elements of the main diagonal are $L$ and all the others are $0$. If $\textit{v}\in\mathtt{Values}$, a particular vector is $\mathbf{{V}}^{\textit{v}}_{i}$ that is a column vector full of zeros and having v at $i$-th row. Multiplication and addition between matrices work as usual111That is: $(\mathbf{A}+\mathbf{B})_{i,j}=\mathbf{A}_{i,j}+\mathbf{B}_{i,j}$ and $(\mathbf{A}\times\mathbf{B})_{i,j}=\sum\mathbf{A}_{i,k}\times\mathbf{B}_{k,j}$ and we define point-wise union between matrices: $(\mathbf{A}\cup\mathbf{B})_{i,j}=\mathbf{A}_{i,j}\cup\mathbf{B}_{i,j}$. Notice that $\mathbf{A}\cup\mathbf{B}\leq\mathbf{A}+\mathbf{B}$. As usual, multiplication between a value and a matrix corresponds to multiplying every element of the matrix by that value. We can now move on and present some new operators and properties of matrices. Given a column vector ${V}$ of dimension $n$, a matrix $\mathbf{A}$ of dimension $n\times m$ an index $i$ ($i\leq m$), we indicate with ${\mathbf{A}}\xleftarrow{i}{{V}}$ a substitution of the $i$-th column of the matrix $\mathbf{A}$ with the vector ${V}$. Next, we need a closure operator. The “union closure” is the union of all powers of the matrix: ${\mathbf{A}}^{\cup}=\bigcup_{i\geq 0}\mathbf{A}^{i}$. It is always defined because the set of possible matrices is finite. We will need also a “merge down” operator. Its use is to propagate the influence of some stacks to some other and it is used to correctly detect the influence of stacks controlling loops onto stacks modified within the loop (hence, we can also call it “loop correction”). The last row and column of the matrix is treated differently because it will be use to handle constants and not stacks. In the following, $n$ is size of the vector, $k<n$ and $j<n$. * • $({{V}}^{\downarrow{k,n}})_{i}={V}_{i}$ * • $({{V}}^{\downarrow{k,j}})_{k}=\begin{cases}M&\text{ if $\exists p<n,p\neq k$ such that ${V}_{p}\neq 0$}\\\ 0&\text{ otherwise and ${V}_{n}=0$}\\\ L&\text{ otherwise and ${V}_{n}=L$}\\\ A&\text{ otherwise and ${V}_{n}\geq A$}\\\ {V}_{k}&\text{ otherwise}\\\ \end{cases}$ * • $({{V}}^{\downarrow{k,j}})_{i}=\begin{cases}0&\text{ if $i=n$ }\\\ M&\text{ if $i\neq j$, ${V}_{i}\neq 0$ and ${V}_{j}\neq 0$}\\\ {V}_{i}&\text{ otherwise}\end{cases}$ In the following we will use a slightly different notation. Given a matrix $\mathbf{A}$ and an index $k$, ${\mathbf{A}}^{\downarrow{k}}$ is the matrix obtained by applying the previous definition of merge down on each column of $\mathbf{A}$. Formally, if ${V}$ is the $j$-th column of $\mathbf{A}$, then $j$-th column of ${\mathbf{A}}^{\downarrow{k}}$ is ${{V}}^{\downarrow{k,j}}$. Finally, the last operator that we are going to introduce is the “re-ordering” operator. Given a vector ${V}$ we write $\left[\stackrel{{\scriptstyle{V}}}{{1\rightarrow i,\ldots,n\rightarrow j}}\right]$ to indicate that the result is a vector whose rows are permuted. The first raw goes in the $i$-th position and so on till the $n$-th to the $j$-th. In order to use a short notation, if a row is flowing in its same position, then we don’t explicit it. Formally, if ${U}=\left[\stackrel{{\scriptstyle{V}}}{{1\rightarrow i,\ldots,n\rightarrow j}}\right]$, then: ${U}_{p}=\sum_{k}{V}_{k}\,|\,k\rightarrow p$. So, in case two or more rows clash on the same final row, we perform a sum between the values. This operator is used for certificate the function calls. Indeed we have to connect the formal parameters with the actual parameters. Therefore, we have to permute the result of the function in order to keep track where the actual parameters has been substituted in place of the formal parameters. ## 4\. Multipolynomials and abstraction We can now proceed and introduce another fundamental concept for ${\mathbf{iSAPP}}$: multipolynomials. This concept was firstly presented in [13]. A multipolynomial represents real bounds and its abstraction is a matrix. In the following, we assume that every polynomial have positive coefficients and it is in the canonical form. First, we need to introduce some operator working on polynomials. ###### Definition 4.1 (Union of polynomial). Be $\mathtt{{p}}$, $\mathtt{{q}}$ the canonical form of the polynomials $p$, $q$ and let $r,s$ polynomials, $\alpha,\beta$ natural numbers, we define the operator $({p}\oplus{q})$ over polynomials in the following way: $({p}\oplus{q})=\begin{cases}\max{(\alpha,\beta)}+({r}\oplus{s})&\text{if $\mathtt{{p}}=\alpha+r$ and $\mathtt{{q}}=\beta+s$.}\\\ \max{(\alpha,\beta)}\cdot X_{i}+({r}\oplus{s})&\text{otherwise if $\mathtt{{p}}=\alpha X_{i}+r$ and $\mathtt{{q}}=\beta X_{i}+s$.}\\\ \mathtt{{p}}+\mathtt{{q}}&\text{otherwise}\end{cases}\ $ Let’s see some example. Suppose we have these two polynomials: ${X_{1}}+2{X_{2}}+3{X_{4}}^{2}{X_{5}}$ and ${X_{1}}+3{X_{2}}+3{X_{4}}^{2}{X_{5}}+{X_{6}}$. Call them, respectively $p$ and $q$. We have that $({p}\oplus{q})$ is ${X_{1}}+3{X_{2}}+3{X_{4}}^{2}{X_{5}}+{X_{6}}$. First we need to introduce the concept of abstraction of polynomial. Abstraction gives a vector representing the shape of our polynomial and how variables appear inside it. ###### Definition 4.2 (Abstraction of polynomial). Let $p(\overline{X})$ a polynomial over $n$ variables, $\lceil{{p(\overline{X})}}\rceil$ is a column vector of size $n+1$ such that: * • If $p(\overline{X})$ is a constant $c>1$, then $\lceil{p(\overline{X})}\rceil$ is $\mathbf{V}^{\mathbf{A}}_{n}$ * • Otherwise if $p(\overline{X})$ is a constant $0$ or $1$, then $\lceil{p(\overline{X})}\rceil$ is respectively $\mathbf{V}^{\mathbf{0}}_{n}$ or $\mathbf{V}^{\mathbf{I}}_{n}$. * • Otherwise if $p(\overline{X})$ is ${X}_{i}$, then $\lceil{p(\overline{X})}\rceil$ is $\mathbf{V}^{\mathbf{I}}_{i}$. * • Otherwise if $p(\overline{X})$ is $\alpha{X}_{i}$ (for some constant $\alpha>1$), then $\lceil{p(\overline{X})}\rceil$ is $\mathbf{V}^{\mathbf{A}}_{i}$. * • Otherwise if $p(\overline{X})$ is $q(\overline{X})+r(\overline{X})$, then $\lceil{p(\overline{X})}\rceil$ is $\lceil{q(\overline{X})}\rceil+\lceil{r(\overline{X})}\rceil$. * • Otherwise, $p(\overline{X})$ is $q(\overline{X})\cdot r(\overline{X})$, then $\lceil{p(\overline{X})}\rceil$ is $M\cdot\lceil{q(\overline{{X}})}\rceil\cup M\cdot\lceil{r(\overline{{X}})}\rceil$. Size of vectors is $n+1$ because $n$ cells are needed for keeping track of $n$ different variables and the last cell is the one associated to constants. We can now introduce multipolynomials and their abstraction. ###### Definition 4.3 (Multipolynomials). A multipolynomial is a tuple of polynomials. Formally $P=(p_{1},\ldots,p_{n})$, where each $p_{i}$ is a polynomial. In the following, in order to refere to a particular polynomial of a multipolynomial we will use an index. So, $P_{i}$ refers to the $i$-th polynomial of $P$. Now that we have introduced the definition of multipolynomials, we can go on and present two foundamental operation on them: sum and composition. ###### Definition 4.4 (Sum of multipolynomials). Given two multipolynomials $P$ and $Q$ over the same set of variables, we define addition in the following way: $(P\oplus Q)_{i}=({P_{i}}\oplus{Q_{i}})$. ###### Definition 4.5 (Composition of multipolynomial). Given two multipolynomials $P$ and $Q$ over the same set of variables, the composition of two multipolynomials is defined as the composition component- wise of each polynomial. Formally we define composition in the following way: $(P\cdot Q)=Q_{1}\cdot P_{1},\ldots,Q_{n}\cdot P_{n}$. Abstracting a multipolynomial naturally gives a matrix where each column is the abstraction of one of the polynomials. ###### Definition 4.6. Let $P$ be a multipolynomial, its abstraction $\lceil{P}\rceil$ is a matrix where the $i$-th column is the vector $\lceil{P_{i}}\rceil$. In the following, we use polynomials to bound size of single stacks. Since handling polynomials is too hard (_i.e._ undecidable), we only keep their abstraction. Similarly, we use multipolynomials to bound the size of all the stacks of a program at once. Again, rather than handling the multipolynomials, we only work with their abstractions. ## 5\. Typing and certification We presented all the ingredients of ${\mathbf{iSAPP}}$ and we are ready to introduce certifying rules. Certifying rules, in figure 1, associate at every command a matrix. We suppose to have $n-1$ stacks. Notice how expressions are not typed; indeed, we don’t need to type them because their size is fixed. $n>1$ (Const-A) $\vdash\mathtt{S}:=\langle c_{1}\ldots c_{n}\rangle:{\mathbf{I}}\xleftarrow{i}{\mathbf{V}^{\mathbf{A}}_{n}}$ (Const-L) $\vdash\mathtt{S}:=\langle{c_{1}}\rangle:{\mathbf{I}}\xleftarrow{i}{\mathbf{V}^{\mathbf{I}}_{n}}$ (Const-0) $\vdash\mathtt{S}:=\langle{}\rangle:{\mathbf{I}}\xleftarrow{i}{\mathbf{V}^{\mathbf{0}}_{n}}$ (Axiom-Reg) $\vdash\mathbf{r}:=e:\mathbf{I}$ (Push) $\vdash\textbf{push}(e,\mathtt{S}_{i}):{\mathbf{I}}\xleftarrow{i}{(\mathbf{V}^{\mathbf{I}}_{n}+\mathbf{V}^{\mathbf{I}}_{i})}$ $\vdash C_{1}:\mathbf{A}$ $\vdash C_{2}:\mathbf{B}$ (Concat) $\vdash C_{1};C_{2}:\mathbf{A}\times\mathbf{B}$ $\vdash C_{1}:\mathbf{A}$ $\forall i,{({\mathbf{A}}^{\cup})}_{i,i}<A$ (Loop) $\vdash\textbf{loop}\,{S_{k}}\,\\{{C_{1}}\\}:{({\mathbf{A}}^{\cup})}^{\downarrow{k}}$ $\vdash C:\mathbf{A}$ $\mathbf{A}\leq\mathbf{B}$ (Subtyp) $\vdash C:\mathbf{B}$ (Asgn) $\vdash\mathtt{S}_{i}:=\mathtt{S}_{j}:{\mathbf{I}}\xleftarrow{i}{\mathbf{V}^{\mathbf{I}}_{j}}$ $b_{1}\in\mathtt{BooleanExp}$ $\vdash C_{1}:\mathbf{A}$ $\vdash C_{2}:\mathbf{B}$ (IfThen) $\vdash\textbf{If }\,b_{1}\,\textbf{ Then }\,C_{1}\,\textbf{ Else }\,C_{2}:\mathbf{A}\cup\mathbf{B}$ $\vdash C:\mathbf{A}$ (Fun) $\textbf{def }{f}\textbf{ in }{(\mathtt{S}_{1}\ldots\mathtt{S}_{n})}\,\,\\{{C}\\}\,\,\textbf{out}{(\mathtt{S}_{j})}:\mathbf{A}$ (Skip) $\vdash\textbf{skip}:\mathbf{I}$ (Pop) $\vdash\textbf{pop}({\mathtt{S}}):\mathbf{I}$ $\textbf{def }{f}\textbf{ in }{(\mathtt{S}_{1}\ldots\mathtt{S}_{n})}\,\,\\{{C}\\}\,\,\textbf{out}{(\mathtt{S}_{j})}:\mathbf{A}$ (FunCall) ${\mathtt{S}_{i}}:=\textbf{call}(f,\mathtt{S}_{k},\ldots,\mathtt{S}_{p}):{\mathbf{I}}\xleftarrow{k}{\left[\stackrel{{\scriptstyle\mathbf{A}_{j}}}{{(1\rightarrow k,\ldots,n\rightarrow p)}}\right]}$ Figure 1. Typing rules for commands and functions These matrices tell us about the behaviour of a command and functions. We can think about them as certificates. Certificates for commands tell us about the correlation between input and output stacks. Each column gives the bound of one output stack while each row corresponds to one input stack. Last row and column handle constants. As example, command (Skip) tells us that no stack is changed. Concatenation of commands (Concat) tells us how to find a certificate for a series of commands. The intrinsic meaning of matrix multiplication is to “connect” output of the first certificate with input of the second. In this way we rewrite outputs of the second certificate respect to inputs of the first one. Notice how the rule for (Push) does not have any hypothesis. Indeed, this command just increase by $+1$ (a constant) the size of the stack $\mathtt{S}_{i}$. When there is a test, taking the union (_i.e._ maximum) of the certificates means taking the worst possible case between the two branches. The most interesting type rule is the one concerning the (Loop) command. The right premise acts as a guard: an $A$ on the diagonal means that there is a stack $\mathtt{S}_{i}$ such that iterating the loop a certain number of time results in (the size of) $\mathtt{S}_{i}$ depending affinely of itself, _e.g._ $|\mathtt{S}_{i}|=2\times|\mathtt{S}_{i}|$. Obviously, iterating this loop may create an exponential growth, so we stop the analysis immediately. Next, the union closure used as a certificate corresponds to a worst case scenario. We can’t know if the loop will be executed 0, 1, 2, …times each corresponding to certificates $\mathbf{A}^{0},\mathbf{A}^{1},\mathbf{A}^{2},\ldots$ Thus we assume the worst and take the union of these, that is the union closure. Finally, the loop correction (merge down) is here to take into account the fact that the result will also depends on the size of the stack controlling the loop (_i.e._ the index $k$ is the number of the variable $S_{k}$ controlling the loop). Before start to prove the main theorems, let present some examples using the commands $\textbf{call}()$, $\textbf{loop}\,{}\,\\{{}\\}$. In the following we will use integer number like $0,1,2,\ldots$ intending a constant list of size $0,1,2,\ldots$. This should help the reader. ###### Example 5.1 (Addition). We are going to present the function $+$ (a shortcut for the following function). We can check that the analysis of this function is exactly the one expected. The size of the result is the sum of the sizes of the two stacks. def addition in ($S_{1},S_{2}$){ $S_{3}:=S_{2}$ loop ($S_{2}$){ push($\mathtt{top}({S_{3}}),S_{1}$) pop($S_{3}$) } }out($S_{1}$) The associate matrix of this function is exactly what we are expecting. Indeed, the matrix is the following one: $\begin{bmatrix}L&0&0&0\\\ L&L&L&0\\\ 0&0&0&0\\\ 0&0&0&L\\\ \end{bmatrix}$ ###### Example 5.2 (Multiplication). In the following we present a way to type multiplication between a number and a variable. In the following $S_{2}$ is multiplied by $n$ and the result is stored in $S_{1}$. $S_{1}:=0$ loop ($S_{2}$){ $S_{1}=S_{1}+n$ } typed with $\begin{bmatrix}0&0&0\\\ A&L&0\\\ 0&0&L\\\ \end{bmatrix}$ ###### Example 5.3 (Multiplication). In this example we show how to type a multiplication between two variables. def multiplication in ($S_{1},S_{2}$){ $S_{3}:=0$ loop ($S_{2}$){ $S_{3}:=S_{1}+S_{3}$ } }out($S_{1}$) The loop is typed with the matrix $\begin{bmatrix}L&0&M&0\\\ 0&L&M&0\\\ 0&0&L&0\\\ 0&0&0&L\\\ \end{bmatrix}$. So, the entire function is typed with $\begin{bmatrix}L&0&M&0\\\ 0&L&M&0\\\ 0&0&0&0\\\ 0&0&0&L\\\ \end{bmatrix}$, as is was expected. ###### Example 5.4 (Subtraction). In this example we show how to type the subtraction between two variables. def subtraction in ($S_{1},S_{2}$){ loop ($S_{2}$){ $\textbf{pop}({S_{1}})$ } }out($S_{1}$) The function is typed with the identity matrix $\mathbf{I}$, since the $\textbf{pop}({})$ command is typed with the identity. ## 6\. Semantics Semantics of the programs generated by the grammar in def 2.1 is the usual and expected one. In the following we are using $\sigma$ as the state function associating to each variable a stack and to each register a letter. Semantics for boolean value is labelled with probability, while semantics for expressions ($\rightarrow_{a}$) is not carrying anything. In figure 2 is shown the semantic for booleans and expressions. Most of boolean operator have probability $1$ and operator rand reduced to $\mathsf{true}$ or $\mathsf{false}$ with probability $\frac{1}{2}$. Notice how there is no semantic associated to operators $op?()$ and $op()$. Of course, their semantics depends on how they will be implemented. Since semantics for boolean is labelled with probability, also semantics of commands ($\rightarrow_{c}^{{\alpha}}$) is labelled with a probability, It tells us the probability to reach a particularly final state after having execute a command from a initial state. if $\sigma(S)=\langle\rangle$ $\langle S,\sigma\rangle\rightarrow_{b}^{{1}}\mathsf{true}$ if $\sigma(S)!=\langle\rangle$ $\langle S,\sigma\rangle\rightarrow_{b}^{{1}}\mathsf{false}$ $\langle\mathtt{rand},\sigma\rangle\rightarrow_{b}^{{1/2}}\mathsf{true}$ $\langle\mathtt{rand},\sigma\rangle\rightarrow_{b}^{{1/2}}\mathsf{false}$ $\langle\mathbf{r},\sigma\rangle\rightarrow_{a}\sigma(\mathbf{r})$ if $\sigma(S)=\langle c_{1}\ldots c_{n}\rangle$ $\langle\mathtt{top}({S}),\sigma\rangle\rightarrow_{a}c_{1}$ Figure 2. Semantics of booleans and expressions In figure 3 are presented the semantics for commands. Since a compile time all the functions definitions can be collected, we suppose that exists a set of defined function called $\mathtt{DefinedFunctions}$ where all the functions defined belong. $\langle\textbf{skip},\sigma\rangle\rightarrow_{c}^{{1}}\sigma$ $\sigma(S)=\langle<c_{1},c_{2},\ldots,c_{n}>\rangle$ $\langle\textbf{pop}({S}),\sigma\rangle\rightarrow_{c}^{{1}}\sigma[S/\langle c_{2},\ldots,c_{n}\rangle]$ $\sigma(S)=\langle<c_{1},\ldots,c_{n}>\rangle$ $\langle\textbf{push}(e,S),\sigma\rangle\rightarrow_{c}^{{1}}\sigma[S/\langle e,c_{1},\ldots,c_{n}\rangle]$ $\langle\mathbf{r}:=e_{1},\sigma\rangle\rightarrow_{c}^{{1}}\sigma[\mathbf{r}/e_{1}]$ $\langle S_{1}:=S_{2},\sigma\rangle\rightarrow_{c}^{{1}}\sigma[S_{1}/\sigma(S_{2})]$ $\langle S_{1}:=\langle c_{1},\ldots,c_{n}\rangle,\sigma\rangle\rightarrow_{c}^{{1}}\sigma[S_{1}/\langle c_{1},\ldots,c_{n}\rangle]$ $\textbf{def }{myfun}\textbf{ in }{(S_{1},\ldots,S_{n})}\,\,\\{{C}\\}\,\,\textbf{out}{(S_{m})}\in\mathtt{DefinedFunctions}$ $\langle C,\sigma[S_{1},\ldots,S_{n}/\overline{S}]\rangle\rightarrow_{c}^{{\alpha}}\sigma_{1}$ $\langle S_{p}:=\textbf{call}(myfun,\overline{S}),\sigma\rangle\rightarrow_{c}^{{\alpha}}\sigma_{1}$ $\langle C_{1},\sigma_{1}\rangle\rightarrow_{c}^{{\alpha}}\sigma_{2}$ $\langle C_{2},\sigma_{2}\rangle\rightarrow_{c}^{{\beta}}\sigma_{3}$ $\langle C_{1};C_{2},\sigma\rangle\rightarrow_{c}^{{\alpha\beta}}\sigma_{3}$ $\langle b_{1},\sigma\rangle\rightarrow_{b}^{{\alpha}}\mathsf{true}$ $\langle C_{1},\sigma\rangle\rightarrow_{c}^{{\beta}}\sigma_{1}$ $\langle\textbf{If }\,b_{1}\,\textbf{ Then }\,C_{1}\,\textbf{ Else }\,C_{2},\sigma\rangle\rightarrow_{c}^{{\alpha\beta}}\sigma_{1}$ $\langle S_{k},\sigma\rangle\rightarrow_{a}\langle\rangle$ $\langle\textbf{loop}\,{S_{k}}\,\\{{C_{1}}\\},\sigma\rangle\rightarrow_{c}^{{1}}\sigma$ $\langle b_{1},\sigma\rangle\rightarrow_{b}^{{\alpha}}\mathsf{false}$ $\langle C_{2},\sigma\rangle\rightarrow_{c}^{{\beta}}\sigma_{1}$ $\langle\textbf{If }\,b_{1}\,\textbf{ Then }\,C_{1}\,\textbf{ Else }\,C_{2},\sigma\rangle\rightarrow_{c}^{{\alpha\beta}}\sigma_{1}$ $\langle S_{k},\sigma\rangle\rightarrow_{a}\langle c_{1}\ldots c_{n}\rangle$ $\langle C_{1},\sigma\rangle\rightarrow_{c}^{{\alpha_{1}}}\sigma_{1}$ $\ldots$ $\langle C_{1},\sigma_{n-1}\rangle\rightarrow_{c}^{{\alpha_{n}}}\sigma_{n}$ $\langle\textbf{loop}\,{S_{k}}\,\\{{C_{1}}\\},\sigma\rangle\rightarrow_{c}^{{\Pi\alpha_{i}}}\sigma_{n}$ Figure 3. semantics of commands Since ${\mathbf{iSAPP}}$ is working on stochastic computations, in order to reach soundness and completeness respect to $\mathbf{PP}$, we need to define a semantics for distribution of final states. We need to introduce some more definitions. Let $\mathscr{D}$ be a distribution of probabilities over states. Formally, $\mathscr{D}$ is a function whose type is $(\mathtt{Stacks}\rightarrow\mathtt{Values})\rightarrow\alpha$. Sometimes we will use the following notation $\mathscr{D}=\\{\sigma_{1}^{\alpha_{1}},\ldots,\sigma_{n}^{\alpha_{n}}\\}$ indicating that probability of $\sigma_{i}$ is $\alpha_{i}$. We can so define semantics for distribution; the most important rules are shown in Figure 4. Since semantics for some commands computes with probability equal to $1$, the correspondent rule for distributions is not presented. Unions of distributions and multiplication between real number and a distribution have the natural meaning. Notice also how all the final distributions are normalized distributions. $\langle C_{1},\sigma\rangle\rightarrow_{\mathscr{D}}\mathscr{D}$ $\forall\sigma_{i}\in\mathscr{D}.\langle C_{2},\sigma_{i}\rangle\rightarrow_{\mathscr{D}}\mathscr{E}_{i}$ $\langle C_{1};C_{2},\sigma\rangle\rightarrow_{\mathscr{D}}\bigcup_{i}\mathscr{D}(\sigma_{i})\cdot\mathscr{E}_{i}$ $\langle S_{k},\sigma\rangle\rightarrow_{a}0$ $\langle\textbf{loop}\,{S_{k}}\,\\{{C}\\},\sigma\rangle\rightarrow_{\mathscr{D}}\\{\sigma^{1}\\}$ $\langle S_{k},\sigma\rangle\rightarrow_{a}\langle c_{1}\ldots c_{n}\rangle$ $\langle\,\overbrace{C;C;\ldots;C}^{n},\sigma\rangle\rightarrow_{\mathscr{D}}\mathscr{E}$ $\langle\textbf{loop}\,{S_{k}}\,\\{{C}\\},\sigma\rangle\rightarrow_{\mathscr{D}}\mathscr{E}$ $\langle b,\sigma\rangle\rightarrow_{b}^{{\alpha}}\mathsf{true}$ $\langle C_{1},\sigma\rangle\rightarrow_{\mathscr{D}}\mathscr{D}$ $\langle C_{2},\sigma\rangle\rightarrow_{\mathscr{D}}\mathscr{E}$ $\langle\textbf{If }\,b\,\textbf{ Then }\,C_{1}\,\textbf{ Else }\,C_{2},\sigma\rangle\rightarrow_{\mathscr{D}}(\alpha\cdot\mathscr{D})\cup((1-\alpha)\cdot\mathscr{E})$ Figure 4. Distributions of output states Here we can present our first result. ###### Theorem 6.1. A command $C$ in a state $\sigma_{1}$ reduce to another state $\sigma_{2}$ with probability equal to $\mathscr{D}(\sigma_{2})$, where $\mathscr{D}$ is the distribution of probabilities over states such that $\langle C,\sigma_{1}\rangle\rightarrow_{\mathscr{D}}\mathscr{D}$. Proof is done by structural induction on derivation tree. It is quite easy to check that this property holds, as the rules in Figure 4 are showing us exactly this statement. The reader should also not be surprised by this property. Indeed, we are not considering just one possible derivation from $\langle C_{1},\sigma_{1}\rangle$ to $\sigma_{2}$, but all the ones going from the first to the latter. ## 7\. Soundness The language recognised by ${\mathbf{iSAPP}}$ is an imperative language where the iteration schemata is restricted and the size of objects (here, stacks) is bounded. These are ingredients of a lot of well known ICC polytime systems. There is no surprise that every program certified by ${\mathbf{iSAPP}}$ runs in probabilistic polytime. Now we can start to present theorems and lemmas of our system. First we will focus on multipolynomial properties in order to show that the behaviour of these algebraic constructor is similar to the behaviour of matrices in our system. Finally we will link these things together to get polytime bound for ${\mathbf{iSAPP}}$. Here are two fundamental lemmas. Their proofs are straightforward. ###### Lemma 7.1. Let $p$ and $q$ two positive polynomials, then it holds that $\lceil{p\oplus q}\rceil=\lceil{p}\rceil\cup\lceil{q}\rceil$. ###### Proof 7.2. by induction on the size of the two polynomials. By definition the union between two polynomial is defined in 4.1 as the maximum of the comparable monomials. Let’s analyze the different cases: * • If $p=c_{1}+r$ and $q=c_{2}+s$. By induction, $\lceil{r\oplus s}\rceil=\lceil{r}\rceil\cup\lceil{s}\rceil$. By definition 4.1, $p\oplus q$ is $\max{(\alpha,\beta)}+({r}\oplus{s})$ and so, by definition 4.2, the abstraction is defined as $\lceil{\max{(\alpha,\beta)}}\rceil+\lceil{({r}\oplus{s})}\rceil$. By using induction hypothesis we get $\lceil{\max{(\alpha,\beta)}}\rceil+\lceil{r}\rceil\cup\lceil{s}\rceil$. It’s clear that $\lceil{\max{(\alpha,\beta)}}\rceil$ is equal to $\max{(\lceil{\alpha}\rceil,\lceil{\beta}\rceil)}$, since the abstraction take in account the value of the constants. This is, by definition, the union of the two abstracted polynomials. We get, so $(\lceil{\alpha}\rceil\cup\lceil{\beta}\rceil)+(\lceil{r}\rceil\cup\lceil{s}\rceil)$. Notice how the abstractions of the two constants are two column vectors having $0$ everywhere except for the last row. We can so rewrite the previous equation as $(\lceil{\alpha}\rceil+\lceil{r}\rceil)\cup(\lceil{\beta}\rceil+\lceil{s}\rceil)$, that is the thesis. * • If $\mathtt{{p}}=\alpha X_{i}+r$ and $\mathtt{{q}}=\beta X_{i}+s$. This case is very similar to the previous one. * • The last case is where the two polynomials are not comparable. In this case, the union is defined as $p+q$. There are two cases: * – If some variables are present just in one polynomial and not in the other one, then the correspondent rows, for each single variable, is not influenced by the abstraction of the polynomial in which the variable does not appear. * – If some variables are present in both. In this case it means that the variables appear in at least one monomial with grade gretar than one or in a monomial having more than one variable. In both cases the associated abstracted value for both is $M$. The thesis holds. This concludes the proof. ###### Lemma 7.3. Let $P$ and $Q$ two positive multipolynomials, then it holds that $\lceil{({P}\oplus{Q})}\rceil=\lceil{P}\rceil\cup\lceil{Q}\rceil$. ###### Proof 7.4. By definition of sum between multipolynomials 4.1 we know that sum is defined componentwise, $(P\oplus Q)_{i}=({P_{i}}\oplus{Q_{i}})$. By lemma 7.1 we prove the theorem. ###### Lemma 7.5. Let $P$ and $Q$ two positive multipolynomials (over $n$ variables) in canonical form, then it holds that $\lceil{P\cdot Q}\rceil\leq\lceil{Q}\rceil\times\lceil{P}\rceil$ ###### Proof 7.6. We will consider the element in position $i,j$ and so we have: $(\lceil{Q}\rceil\times\lceil{P}\rceil)_{i,j}=\sum_{k}{\lceil{Q}\rceil_{i,k}\times\lceil{P}\rceil_{k,j}}$. We can start by making some algebraic passages: $\lceil{P\cdot Q}\rceil_{i,j}=\lceil{P(Q_{1},\ldots,Q_{n})}\rceil_{i,j}=\lceil{P_{j}(Q_{1},\ldots,Q_{n})}\rceil_{i}$ The equality holds because we are considering the element in the $j$-th column. Since we are interested at the element in position $i$-th we have to understand how the variable $X_{i}$ (or constant) in each $Q_{k}$ is substituted. * • Case where $i=n+1$. * – If none of the polynomials $Q_{k}$ has a constant inside, then the proof is evident, since the only possible constant appearing in the result is the possible constant appearing in $P_{j}$. Recall that the element in position $(n+1,n+1)$ is $L$ by definition, so $\sum_{k}{\lceil{Q}\rceil_{i,k}\times\lceil{P}\rceil_{k,j}}$ contain at least $\lceil{P}\rceil_{n+1,i}$. * – Otherwise some constants appear in some $Q_{k}$. This means that the expected abstraction for the element at position $(n+1,j)$ may be $A$ or $L$. If $L$ is the result, then is clear that and equality holds, since it means that the constant is $1$. The inequality hold if the expected result is $A$, since that on the right side we have to perform the following sum: $\sum_{k}{\lceil{Q}\rceil_{i,k}\times\lceil{P}\rceil_{k,j}}$ and we could find an $A$ or $M$ value. * • Case where $i<n+1$. In this case we are considering how the variable $X_{i}$ appears. We have four possibilities: * – If $X_{i}$ does not appear in any $Q_{k}$ polynomials. In this case the expected abstract value is $0$. Is easy to check that this holds, since on the left side of the inequality we get $0$ and on the right side we get $\sum_{k}{\lceil{Q}\rceil_{i,k}\times\lceil{P}\rceil_{k,j}}$ that is $0$, since all $\lceil{Q}\rceil_{i,k}$ are $0$. * – In the following we will consider that $X_{i}$ appears in some $Q_{k}$ polynomials. Call them $\overline{Q}_{X_{i}}$. If some of the polynomials where $X_{i}$ appears is substituted in some monomial of $P_{j}$ of shape as $\alpha X_{p}\cdot q(\overline{X})$ in place of some $X_{p}$, then for sure on the right side of the inequality we will get a value $M$. On the right side, considering $\sum_{k}{\lceil{Q}\rceil_{i,k}\times\lceil{P}\rceil_{k,j}}$ we will multiply for sure an $M$ value with the abstracted value for $X_{i}$ of the $\overline{Q}_{X_{i}}$ where it appears. The result is so for sure $M$. * – Otherwise, if some of the polynomials where $X_{i}$ appears is substituted in some monomial of $P_{j}$ of shape as $\alpha X_{p}$ ($\alpha>1$), then the expected abstract value depends on how $X_{i}$ appears in $\overline{Q}_{X_{i}}$. For all the three possible cases of $X_{i}$ in $\overline{Q}_{X_{i}}$ the abstracted value obtained on the left side is equal to the value obtained on the right side. * – Otherwise, $X_{i}$ appears is substituted in some monomial of $P_{j}$ of shape as $X_{p}$; then the substitution gives in output exactly the $\overline{Q}_{X_{i}}$ substituted. The equality holds because on the right side we are going to multiply by $L$ the abstracted value found for each $Q_{k}$. This concludes the proof. Let’s now present the results about the probabilistic polytime soundness. The following theorem tell us that at each step of execution of a program, size of variables are polynomially correlated with size of variables in input. ###### Theorem 7.7. Given a command $C$ well typed in ${\mathbf{iSAPP}}$ with matrix $\mathbf{A}$, such that $\langle C,\sigma_{1}\rangle\rightarrow_{c}^{{\alpha}}\sigma_{2}$ we get that exists a multipolynomial $P$ such that for all stacks $S_{i}$ we have that $|\sigma_{2}(S_{i})|\leq P_{i}(|\sigma_{1}(S_{1})|,\ldots,|\sigma_{1}(S_{n})|)$ and $\lceil{P}\rceil$ is $\mathbf{A}$. ###### Proof 7.8. By structural induction on typing tree. We will present just the most important cases. * • If the last rule is (Const-0), it means that we have only one stack and its size is $0$. The relative vector in the matrix is a $\mathbf{V}^{\mathbf{0}}$. We can choose the constant polynomial $0$, whose abstraction is exactly $\mathbf{V}^{\mathbf{0}}$. The polynomial $0$ bounds the size of the stack. * • If the last rule is one of the following (Skip), (Const-A), (Const-L), (Axiom- Reg), then the proof is trivial. * • If the last rule is (Push), then we know that the size of of the stack $S_{i}$ has been increased by $1$. The associated vector is a column vector having $L$ on the $i$-th row and $L$ on the last line. The correspondent polynomial, $X_{i}+1$, is the correct bounding polynomial for the $i$-th stack. * • If the last rule is (Subtyp), then by induction on the hypothesis we can easily find a new polynomial bound. * • If the last rule is (Asgn), then we know that the size of the $i$-th stack is equal to the size of the stack $j$-th. So, the polynomial bounding the size of the $i$-th stack uses at least two variables and the correct one is $P_{i}(X_{i},X_{j})=X_{j}$. * • If the last rule is (IfThen), then by applying induction hypothesis on the two premises we have multipolynomial bounds $Q$, $R$ such that $\lceil{Q}\rceil=\mathbf{A}$ and $\lceil{R}\rceil=\mathbf{B}$. By lemma 7.3 we get the thesis. * • If the last rule is (Fun), then by applying the induction hypothesis on the premise we directly prove the thesis. * • If the last rule is (FunCall), then by applying the induction hypothesis on the premise we have a polynomial bound $Q$ such that $\lceil{Q}\rceil=\mathbf{A}$. For all the stacks different from the $i$-th, the bounding polynomial is trivial, while for the stack $S_{i}$ depends on the result of the function call. The function return the value stored in the $j$-th stack used inside the function. According to the actual parameters, the actual polynomial bound is different from the one retrieving by applying the induction hypothesis. * • If last rule is (Concat), then by lemma 7.5 we can easily conclude the thesis. * • If last rule is (Loop), we are in the following case; so, $\mathbf{A}$ is ${({\mathbf{B}}^{\cup})}^{\downarrow{k}}$. The typing and the associated semantic are the following: $\vdash C_{1}:\mathbf{B}$ $\forall i,{({\mathbf{B}}^{\cup})}_{i,i}<A$ (Loop) $\vdash\textbf{loop}\,{S_{k}}\,\\{{C_{1}}\\}:{({\mathbf{B}}^{\cup})}^{\downarrow{k}}$ $\langle S_{k},\sigma\rangle\rightarrow_{a}\langle c_{1}\ldots c_{n}\rangle$ $\langle C_{1},\sigma\rangle\rightarrow_{c}^{{\alpha_{1}}}\sigma_{1}$ $\ldots$ $\langle C_{1},\sigma_{n-1}\rangle\rightarrow_{c}^{{\alpha_{n}}}\sigma_{n}$ $\langle\textbf{loop}\,{S_{k}}\,\\{{C_{1}}\\},\sigma\rangle\rightarrow_{c}^{{\Pi\alpha_{i}}}\sigma_{n}$ We consider just the case where $n>0$, since the other one is trivial. By induction on the premise we have a multipolynomial $P$ bound for command $C_{1}$ such that its abstraction is $\mathbf{B}$. If $P$ is a bound for $C_{1}$, then $P\cdot P$ is a bound for $C_{1};C_{1}$ and $(P\cdot P)\cdot P$ is a bound for $C_{1};C_{1};C_{1}$ and so on. All of these are multipolynomial because we are composing multipolynomials with multipolynomials. By lemma 7.5 and knowing that $\lceil{P}\rceil$ is $\mathbf{B}$ we can easily deduce to have a multipolynomial bound for every iteration of command $C_{1}$. In particularly by lemma 7.3 we can easily sum up everything and find out a multipolynomial $Q$ such that $\lceil{Q}\rceil$ is ${\mathbf{B}}^{\cup}$. This means that further iterations of sum of powers of $P$ will not change the abstraction of the result. So, for every iteration of command $C_{1}$ we have a multipolynomial bound whose abstraction cannot be greater than ${\mathbf{B}}^{\cup}$. So, we study the worst case; we analyse the matrix ${\mathbf{B}}^{\cup}$. Side condition on (Loop) rule tells us to check elements on the main diagonal. Recall that by definition of union closure, elements on the main diagonal are supposed to be greater then $0$. We required also to be less then $A$. Let’s analyse all the possibilities of an element in position $i,i$: * – Value $0$ means no dependencies. If value is $L$ it means that $Q_{i}$ concrete bound for such column has shape $S_{i}+r(\overline{S})$, where $S_{i}$ does not appear in $r(\overline{S})$. Iteration of such assignment gives us polynomial bound increment of the value of variable $S_{i}$. * – If value is $A$ could means that $Q_{i}$ concrete bound for such column has shape $\alpha S_{i}+r(\overline{S})$ (for some $\alpha>1$), where $S_{i}$ does not appear in $r(\overline{S})$. Iteration of such assignment lead us to exponential blow up on the size of $S_{i}$. * – Otherwise value is $M$. This case is worse than the previous one. It’s evident that we could have exponential blow up on the size of $S_{i}$. The abstract bound ${\mathbf{B}}$ is still not a correct abstract bound for the loop because loop iteration depends on some variable $S_{k}$. We need to adjust our bound in order to keep track of the influence of variable $S_{k}$ on loop iteration. We take multipolynomial $Q$ because we know that further iterations of the algorithm explained before will not change its abstraction $\lceil{Q}\rceil$. Looking at $i$-th polynomial of multipolynomial $Q$ we could have three different cases. We behave in the following way: * – The polynomial has shape $S_{i}+p(\overline{S})$. In this case we multiply the polynomial $p$ by $S_{k}$ because this is the result of iteration. We substitute the $i$-th polynomial with the canonical form of polynomial $S_{i}+p(\overline{S})\cdot S_{k}$. * – The polynomial has shape $S_{i}+\alpha$, for some constant $\alpha$. In this case we substitute with $S_{i}+\alpha\cdot S_{k}$. * – The polynomial has shape $S_{i}$ or $S_{i}$ does not appear in the polynomial. We leave as is. In this way we generate a new multipolynomial, call it $R$. The reader should easily check that these new multipolynomial expresses a good bound of iterating $Q$ a number of times equal to $S_{k}$. Should also be quite easy to check that $\lceil{R}\rceil$ is exactly ${({\mathbf{B}}^{\cup})}^{\downarrow{k}}$. This concludes the proof. Polynomial bound on size of stacks is not enough; we should also prove polynomiality of number of steps. Since all the programs generated by the language terminate and all the stacks are polynomially bounded in their size, the theorem follows straightforward. ###### Theorem 7.9. Let $C$ be a command well typed in ${\mathbf{iSAPP}}$ and $\sigma_{1},\sigma_{n}$ state functions. If $\pi:\langle C_{1},\sigma_{0}\rangle\rightarrow_{c}^{{\alpha}}\sigma_{n}$, then there is a polynomial $p$ such that $|\pi|$ is bounded by $p(\sum_{i}|\sigma_{0}(S_{i})|)$. ###### Proof 7.10. By induction on the associated semantic proof tree. ### 7.1. Probabilistic Polynomial Soundness Nothing has been said about probabilistic polynomial soundness. Theorems 7.7 and 7.9 tell us just about polytime soundness. Probabilistic part is now introduced. We will prove probabilistic polynomial soundness following idea in [6], by using “representability by majority”. ###### Definition 7.11 (Representability by majority). Let $\overline{\sigma_{0}}[S/n]$ define as $\forall S,\sigma_{0}(S)=n$. Then $C$ is said to _represent-by-majority_ a language $L\subseteq\mathbb{N}$ iff: 1. (1) If $n\in L$ and $\langle C,\overline{\sigma_{0}}[S/n]\rangle\rightarrow_{\mathscr{D}}\mathscr{D}$, then $\mathscr{D}(\sigma_{0})\geq\sum_{m>0}\mathscr{D}(\sigma_{m})$; 2. (2) If $n\notin L$ and $\langle C,\overline{\sigma_{0}}[S/n]\rangle\rightarrow_{\mathscr{D}}\mathscr{D}$, then $\sum_{m>0}\mathscr{D}(\sigma_{m})>\mathscr{D}(\sigma_{0})$. Observe that every command $C$ in ${\mathbf{iSAPP}}$ represents by majority a language as defined in 7.11. In literature [1] is well known that we can define $\mathbf{PP}$ by majority. We say that the probability error should be at most $\frac{1}{2}$ when we are considering string in the language and strictly smaller than $\frac{1}{2}$ when the string is not in the language. So we can easily conclude that ${\mathbf{iSAPP}}$ is sound also respect to probabilistic polytime. ## 8\. Probabilistic Polynomial Completeness There are several way to demonstrate completeness respect to some complexity class. We will show that by using language recognised by our system we are able to encode Probabilistic Turing Machines (PTM). We will are not able to encode all possible PTMs but all the ones with particularly shape. This lead us to reach extensional completeness. For every problem in $\mathbf{PP}$ there is at least an algorithm solving that problem that is recognised by ${\mathbf{iSAPP}}$. A Probabilistic Turing Machine [7] can be seen as non deterministic TM with one tape where at each iteration are able to flip a coin and choose between two possible transition functions to apply. In order to encode Probabilistic Turing Machines we will proceed with the following steps: * • We show that we are able to encode polynomials. In this way we are able to encode the polynomial representing the number of steps required by the machine to complete. * • We encode the input tape of the machine. * • We show how to encode the transition $\delta$ function. * • We put all together and we have an encoding of a PTM running in polytime. Should be quite obvious that we can encode polynomials in ${\mathbf{iSAPP}}$. Grammar and examples 5.1, 5.2, 5.3, 5.4 give us how encode polynomials. We need to encode the tape of our PTMs. We subdivide our tape in three sub- tapes. The left part $\mathbf{tape}_{l}$, the head $\mathbf{tape}_{h}$ and the right part $\mathbf{tape}_{r}$. $\mathbf{tape}_{r}$ is encoded right to left, while the left part is encoded as usual left to right. Let’s move on and present the encoding of transition function of PTMs. Transition function of PTMs, denoted with $\delta$, is a relation $\delta\subseteq(Q\times\Sigma)\times(Q\times\Sigma\times\\{\leftarrow,\downarrow,\rightarrow\\})$. Given an input state and a symbol it may give in output more tuples of state, a symbol and a direction of the head (left, no movement, right). In the following we are going to present two procedures to encode movements of the head. It is really important to pay attention on how we encode this operations. Recall that a PTM loops the $\delta$ function and our system requires that the matrix certifying/typing the loop needs to have values of the diagonal less than $A$. ###### Definition 8.1 (Move head to right). Moving head to right means to concatenate the bit pointed by the head to the left part of the tape; therefore we need to retrieve the first bit of the right part of the tape and associate it to the head. Procedure is presented as algorithm 1; call it MoveToRight(). $\textbf{push}(\mathtt{top}({\mathbf{tape}_{h}}),\mathbf{tape}_{l})$ $\mathbf{tape}_{h}:=\langle\rangle$ $\textbf{push}(\mathtt{top}({\mathbf{tape}_{r}}),\mathbf{tape}_{h})$ $\textbf{pop}({\mathbf{tape}_{r}})$ Using typing rules we are able to type the algorithm with the following matrix: $\begin{bmatrix}L&0&0&0&0\\\ 0&0&0&0&0\\\ 0&0&L&0&0\\\ 0&0&0&L&0\\\ L&A&0&0&L\\\ \end{bmatrix}$ Algorithm 1 Move head to right The first column of the matrix represents dependencies for variables $\mathbf{tape}_{l}$, the second represents $\mathbf{tape}_{h}$, third is $\mathbf{tape}_{r}$, forth is $\mathbf{M_{state}}$ and finally recall that last column is for constants. In the following, columns of matrices are ordered in this way. Similarly we can encode the procedure for moving the head to left and the possibility of not moving at all, that is a skip command. So, the $\delta$ function is then encoded in the standard way by having nested If-Then-Else commands, checking the value of $\mathtt{rand}$, the state, the symbol on a tape and performing the right procedure. if $\mathtt{rand}$ then if ${\textbf{equal?}(\mathbf{M_{state}},1)}$ then else if ${\textbf{equal?}(\mathbf{M_{state}},2)}$ then $\cdots$ else $\cdots$ end if end if else $\cdots$ end if The prototype is created by nesting If-Then-Else commands and checking the state of the machine. for each branch, then, an operation of moving the head is performed. Notice that since three possible operations could be performed, all the nested If-Then-Else are typed with the following matrix: $\begin{bmatrix}L&0&0&0&0\\\ 0&0&0&0&0\\\ 0&0&L&0&0\\\ 0&0&0&L&0\\\ L&A&L&0&L\\\ \end{bmatrix}$ Algorithm 2 Prototype of encoded $\delta$ function Finally, we have to put the encoded $\delta$-function inside a loop. The machine runs in a polynomial number of steps. Since the encoded $\delta$-function is typed with the matrix presented in Alg. 2, we can easily see that the union closure of that matrix fits the constraints of the typing rule of $\textbf{loop}\,{}\,\\{{}\\}$. We can therefore conclude that we can encode Probabilistic Turing Machine working in polytime. ## 9\. Polynomiality In this last session we will discuss why ${\mathbf{iSAPP}}$ is a feasible analyser. We already shown that is sound, so is able to understand whenever a program does not run in Probabilistic Polynomial Time. Moreover, is also complete, respect to $\mathbf{PP}$; this means that ${\mathbf{iSAPP}}$ is able to recognise a lot of programs. At least one for each problem in $\mathbf{PP}$. The final question has to do with the efficiency of our system: “how much time does it take ${\mathbf{iSAPP}}$ to check a program?”. Can be shown that ${\mathbf{iSAPP}}$ is running in polytime respect to the number of variables used. Since the typing rules are deterministic, the key problems lays on the rule (Loop). $\vdash C_{1}:\mathbf{A}$ $\forall i,{({\mathbf{A}}^{\cup})}_{i,i}<A$ (Loop) $\vdash\textbf{loop}\,{S_{k}}\,\\{{C_{1}}\\}:{({\mathbf{A}}^{\cup})}^{\downarrow{k}}$ It is not trivial to understand how much it takes a union closure to be performed. While all the typing rules for all the other commands and expressions are trivial, the one for loop needs some more explanations. By definition, ${\mathbf{A}}^{\cup}$ is defined as $\cup_{i}\mathbf{A}^{i}$. Every matrix could be seen as adjacency matrix of a graph. As example, the following matrix $\mathbf{A}$: $\begin{bmatrix}L&0&0&0\\\ L&L&L&0\\\ L&0&0&0\\\ 0&M&L&L\\\ \end{bmatrix}$ has its own representation in the graph on the right side. Figure 5. Example of graph representing a matrix in ${\mathbf{iSAPP}}$ In the example in Figure 5 we can easily check that $C$ flows in $S_{1}$ with $M$ in one step. So, $\mathbf{A}^{2}$ have $M$ in position $(4,1)$, $(4,2)$, $(4,3)$. Indeed, by using the rule of our algebra we can see how dependencies flows in the graph. How many unions have to be performed in order to calculate $\cup_{i}\mathbf{A}^{i}$? In order to answer to this question, we can prove the following theorem. ###### Theorem 9.1 (Polynomiality). Given a squared matrix $\mathbf{A}$ of size $n$ and $\mathbf{B}=\bigcup_{i}{\mathbf{A}^{i}}$, we get that $\mathbf{B}=\bigcup_{i<n^{2}}\mathbf{A}^{i}$. Union closure can be calculated by considering just the first $n^{2}$ matrix power. ###### Proof 9.2. Here is the scratch of the proof. Since the matrix is an encoding of a flow graph, we can see the matrix as a graph of dependencies between stacks size. Recall that the union is component-wise, so we can focus on a singular element of a matrix. Given two nodes $S_{1}$ and $S_{2}$ of our graph, let’s check all the possibilities: * • The expected value is $M$. If so, after no more than $n$ iteration of $\mathbf{A}$ we should have found it. If not, there are no possibilities to have $M$ in that position. After $n$ iteration, the information has flown through all the nodes. * • The expected value is $A$. We need to iterate more than $n$ times. Indeed $A$ value can be found also by adding $L+L$. In the flow-graph relation, this means finding two distinct paths from node $S_{1}$ to $S_{2}$. This can be easily done by encoding two paths in one. By generating all the possible pairs of nodes, we can easily see that the number of steps to find, if exists, two distinct paths takes $n^{2}$ number of steps (number of all pairs). * • If after $n^{2}$ steps no $M$ or $A$ value has been found, the maximum value found is the correct one. Indeed, if no dependence has been found or if just a linear dependence has been found, no further iteration could change the final value. ## 10\. Conclusions We presented an ICC system characterising the class $\mathbf{PP}$. There are several improvements respect to the known systems in literature. We can catalogue them in two sets. First, we extend the known system to probabilistic computations, being able to characterise $\mathbf{PP}$. Since the typing requires polynomial time, it is feasible to use ${\mathbf{iSAPP}}$ as a static analyser for complexity. The typing/certificate gives also information about the polynomial bound. On the other hand, respect to sequential computations, we presented a finer analysis. ${\mathbf{iSAPP}}$ works over a concrete language and takes care of constants and function calls. For all of these reasons, we are able to show a program that cannot be typed correctly by Kristiansen and Jones [9]. loop ($S_{1}$){ $S_{2}:=0*S_{2}$ } That is typed with the identity matrix ${\mathbf{I}}\xleftarrow{2}{\mathbf{V}^{\mathbf{0}}}$. For multiplication we use the implementation in def 5.2. Algorithm 3 Example of recognised program Since every constant is abstracted as a variable in [9], they cannot for sure recognise that this program runs in polytime and for this reason this program should be rejected. Once abstracted it is impossible to know the value of the constant. Of course, everything depends on how the abstraction is made. In general, every program which deals with constants could appear problematic in [9] [3]; At least, for a lot of programs, their bounds are bigger. Moreover, as they wrote in [3]: “Note that no procedure for inferring complexity will be complete for $L_{concrete}$”, while our procedure is sound and complete for our concrete language. Finally we would like to point out some future direction: * • Integrating the analysis with new features in order to capture more programs. * • Apply our analysis to a more generic imperative programming language. * • Extending the algebra in such way that the associated certificates would tell more detailed information about the polynomial bounding the complexity. * • Make a finer analysis in order to be sound and complete for $\mathbf{BPP}$. ## References * [1] Sanjeev Arora and Boaz Barak. Computational Complexity, A Modern Approach. Cambridge University Press, 2009. * [2] Stephen Bellantoni and Stephen A. Cook. A new recursion-theoretic characterization of the polytime functions. Computational Complexity, 2:97–110, 1992. * [3] Amir M. Ben-Amram, Neil D. Jones, and Lars Kristiansen. Linear, polynomial or exponential? complexity inference in polynomial time. In Proceedings of the 4th conference on Computability in Europe: Logic and Theory of Algorithms, CiE ’08, pages 67–76, Berlin, Heidelberg, 2008\. Springer-Verlag. * [4] G. Bonfante, J.-Y. Marion, and J.-Y. Moyen. Quasi-interpretations a way to control resources. Theoretical Computer Science, 412(25):2776 – 2796, 2011. * [5] Alan Cobham. The intrinsic computational difficulty of functions. In Y. Bar-Hillel, editor, Logic, Methodology and Philosophy of Science, proceedings of the second International Congress, held in Jerusalem, 1964, Amsterdam, 1965. North-Holland. * [6] Ugo Dal Lago and Paolo Parisen Toldin. A higher-order characterization of probabilistic polynomial time. In R. Peña, M. van Eekelen, and O. Shkaravska, editors, Proceedings of $2^{nd}$ International Workshop on Foundational and Practical Aspects of Resource Analysis, FOPARA 2011, volume 7177 of LNCS. Springer, 2011. To be appeared in. * [7] John Gill. Computational complexity of probabilistic turing machines. SIAM J. Comput., 6(4):675–695, 1977. * [8] Neil D. Jones. Logspace and ptime characterized by programming languages. Theoretical Computer Science, 228:151–174, October 1999. * [9] Neil D. Jones and Lars Kristiansen. A flow calculus of mwp-bounds for complexity analysis. ACM Trans. Comput. Logic, 10(4):28:1–28:41, August 2009. * [10] Lars Kristiansen and Neil D. Jones. The flow of data and the complexity of algorithms. In Proceedings of the First international conference on Computability in Europe: new Computational Paradigms, CiE’05, pages 263–274, Berlin, Heidelberg, 2005. Springer-Verlag. * [11] Daniel Leivant. Stratified functional programs and computational complexity. In Principles of Programming Languages, 20th International Symposium, Proceedings, pages 325–333. ACM, 1993. * [12] Daniel Leivant and Jean-Yves Marion. Ramified recurrence and computational complexity II: Substitution and poly-space. In Leszek Pacholski and Jerzy Tiuryn, editors, Computer Science Logic, 9th International Workshop, Proceedings, volume 933 of LNCS, pages 486–500. 1995. * [13] R. Metnani and J.-Y. Moyen. Equivalence between the $mwp$ and Quasi-Interpretations analysis. In J.-Y. Marion, editor, DICE’11, April 2011. * [14] Albert R. Meyer and Dennis M. Ritchie. The complexity of loop programs. In Proceedings of the 1967 22nd national conference, ACM ’67, pages 465–469, New York, NY, USA, 1967. ACM.
arxiv-papers
2013-04-11T10:20:24
2024-09-04T02:49:44.185718
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jean-Yves Moyen, Paolo Parisen Toldin", "submitter": "Paolo Parisen Toldin", "url": "https://arxiv.org/abs/1304.3249" }
1304.3269
††thanks: School of Mathematics and Maxwell Institute of Mathematical Sciences, James Clerk Maxwell Building, Kings Buildings, University of Edinburgh, Edinburgh, EH9 3JZ, UK # Robust and efficient configurational molecular sampling via Langevin Dynamics Benedict Leimkuhler Charles Matthews [email protected] School of Mathematics and Maxwell Institute of Mathematical Sciences, James Clerk Maxwell Building, Kings Buildings, University of Edinburgh, Edinburgh, EH9 3JZ, UK ###### Abstract A wide variety of numerical methods are evaluated and compared for solving the stochastic differential equations encountered in molecular dynamics. The methods are based on the application of deterministic impulses, drifts, and Brownian motions in some combination. The Baker-Campbell-Hausdorff expansion is used to study sampling accuracy following recent work by the authors, which allows determination of the stepsize-dependent bias in configurational averaging. For harmonic oscillators, configurational averaging is exact for certain schemes, which may result in improved performance in the modelling of biomolecules where bond stretches play a prominent role. For general systems, an optimal method can be identified that has very low bias compared to alternatives. In simulations of the alanine dipeptide reported here (both solvated and unsolvated), higher accuracy is obtained without loss of computational efficiency, while allowing large timestep, and with no impairment of the conformational exploration rate (the effective diffusion rate observed in simulation). The optimal scheme is a uniformly better performing algorithm for molecular sampling, with overall efficiency improvements of 25% or more in practical timestep size achievable in vacuum, and with reductions in the error of configurational averages of a factor of ten or more attainable in solvated simulations at large timestep. Langevin dynamics, configurational molecular sampling, stochastic molecular dynamics, long term averaging, symplectic methods ## I Introduction One of the major challenges in understanding matter at the molecular scale is the problem of thermodynamic sampling: the calculation of averages with respect to the canonical (Gibbs-Boltzmann) distribution. In many cases the aim is to sample configurational quantities only, and this is the focus of this article. Given the classical molecular potential energy function $U:\mathbb{R}^{3N}\rightarrow\mathbb{R}$, the configurational canonical density is $\bar{\rho}_{\beta}(q)=Z^{-1}e^{-\beta U(q)},$ where $\beta^{-1}=k_{B}T$ where $k_{B}$ is Boltzmann’s constant, $T$ is temperature, and $Z$ is a normalization constant so that $\bar{\rho}_{\beta}$ has unit integral over the entire configuration space. In using molecular dynamics to sample the phase space according to the canonical distribution, the formulation employed may not be ergodic (meaning that it may not sample the entire phase space) and, moreover, the design of the time-discretization methods typically distorts the equilibrium distribution. Using a stochastic differential equation model such as Langevin dynamics, which introduces random perturbations into each force component, we can overcome the first of these problems, as the formulation is well known to be ergodic. As an illustration of the effect of step size error, see Figure 1, where the potential energy in simulations of alanine dipeptide is shown to be corrupted by a popular Langevin discretization. Figure 1: The computed potential energy distribution is shown for the method of Brünger, Brooks and Karplus applied to a single alanine dipeptide protein at 300K in a vacuum using the CHARMM22 forcefield; the energy distribution becomes distorted as the step size increases. Given that the majority of computational work in any MD algorithm lies in the force calculation, most of the existing methods in common use have been designed to require only one force evaluation per timestep. For timestepping methods that accurately sample the canonical distribution, the available timescales for simulation are restricted by the problem itself (e.g. the heights of barriers, or entropic properties of the landscape). In designing a new molecular dynamics algorithm the goal is to enlarge the usable timestep in order to allow finite trajectories to access a larger portion of the phase space. The drawback of working in the high-timestep regime is that for long- time simulations the computed probability distribution is a perturbation of $\bar{\rho}_{\beta}$, dependent on the step size, leading to a distortion in calculated averages. The simulator must choose the step size sufficiently small enough to avoid corruption in averages, but still large enough to ensure a thorough exploration of configuration space. The potential energy function in molecular dynamics determines the maximum allowable step size. For a harmonic oscillator with frequency $\omega$ the Verlet method has a stability restriction of $\delta t\leq 2/\omega$ 1. Most numerical methods (including ones constructed for Langevin dynamics) suffer from a similar limitation in the maximum timestep size driven by the presence of stiff oscillatory solution components. However, well before reaching the stability threshold, averages may be severely corrupted, introducing artificial–and, often, severe–step size restriction. By removing or reducing this bias, it becomes possible to substantially increase the timestep, with a direct impact on the efficiency of simulation. Given the explosion in the use of molecular dynamics in chemistry, physics, engineering and biology, it is worth noting that where molecular dynamics is used for round-the-clock configurational sampling calculations, a quantifiable improvement in method efficiency (or timestep size) directly translates to a reduction in machine costs, a reduction in energy costs, and, often, a reduction in delays to publication. With regard to the error in averages, it is usually assumed that the error due to having insufficient samples dominates the timestep-dependent discretization error, but this is not typically the case at large step size, as we demonstrate in numerical experiments (see Section V). To dramatize the role of discretization error, we show in Figure 2 the example of the configurational distribution for a simple two-basin model solved using two different numerical methods. The figure illustrates that where step size error is substantial, crucial features of the landscape such as the heights of free energy barriers, may be completely altered. Moreover, it is entirely possible for the relative heights of different barriers to be altered in such a way that one transition becomes more prevalent than another. Figure 2: The configurational density function $\bar{\rho}_{\beta}(q)$ is shown for a planar two-basin potential, computed using two different Langevin dynamics methods at various (stable) timesteps increasing from left to right. The color indicates the value of the computed probability density: from high (red) to low (blue) over the unit square. The methods have the same computational cost (in terms of force evaluations), but give different results at large timesteps. Details on this computation are given in Appendix A. Theoretical analysis of the error in the invariant distribution can be performed for harmonic oscillators without great difficulty (see Section III), but it can also be carried out for general nonlinear problems. This is most straightforward in the case of splitting methods. In this article we draw on principles of geometric integration, building on our understanding of splitting methods from the deterministic setting 2. Splitting methods for Langevin dynamics have been considered in the past 4, 3, 5, 7, 8, 9, 10, 6 but a wide variety of schemes can be constructed by splitting and until now the rational basis for selecting one scheme over another has been absent. Drawing on the work of Talay and Tubaro 11, we have studied the generator of the numerical method directly by examining expansions for the invariant measure of the Langevin dynamics scheme 12; this investigation lead to the concept of the associated density $\hat{\rho}$ of the numerical method: $\hat{\rho}(q,p)\propto\exp\left(-\beta\left[H(q,p)+\delta t^{2}f_{2}(q,p)+\delta t^{4}f_{4}(q,p)+\ldots\right]\right).$ (1) This expansion allows different methods to be compared on a rational basis (as concerns the effect of discretization error). In the past, for deterministic methods, this type of analysis has also been used for the correction of averages 13, 14. In typical cases which would be relevant for molecular simulation, the error introduced in averages using such methods would be second order in the timestep (i.e. would go to zero quadratically as the step size is reduced). For a particular ordering of the building blocks of the numerical method, a “superconvergence” (cancellation) property can be obtained in the high friction limit, meaning that in fully resolved molecular dynamics simulations and after integrating out with respect to momenta, the leading term in the expansion vanishes 12. This theoretical convergence result was until now only studied for relatively simple model problems. Moreover the crucial question of the step size (stability) threshold of the different schemes (as well as the overall efficiency of the various methods) cannot be addressed using the asymptotic technique since it provides information only about the small step size limit ($\delta t\rightarrow 0$). Another important issue raised by practitioners concerns the fact that such a superconvergent method, relying on large friction, might not be useful in realistic settings since it is known that large friction can reduce the diffusion rate. The problem is complicated by a number of issues: both friction coefficient and step size affect the long-term averaging error differently for different methods, and the friction coefficient (and, in principle, the step size) may affect the diffusion rates differently for different methods. Performance is further dependent on the type of problem under study. Thus there is a need for careful study of the methods in the context of systems relevant for molecular dynamics (for example, containing both steep potentials such as Lennard-Jones and stiff bonds). In this article we address both issues: we consider large step size and modest values of the friction coefficient, using numerical experiments to carefully examine the relative performance of a large number of different methods. In recent years, there has been widespread interest in multiscale methods for enhanced sampling 15, 16, 17, 18 and such methods likely offer the best approach to bridging the timescale gap. We observe that work on enhanced numerical schemes for molecular dynamics remains essential as it plays a crucial underpinning role in all the enhanced sampling approaches. Improved trajectory generation efficiency (e.g. allowing the use of a larger basic timestep in simulation) thus has a knock-on effect on the efficiency of all the methods that rely on such trajectories. While relative improvements of a few percentages in efficiency can already warrant a minor change in software implementation, our analysis points to a more dramatic (even qualitative) difference among various methods leading to prospects for much greater efficiencies by selecting a suitable method. These observations are verified in model biomolecular simulations. Hybrid Monte-Carlo 19, 20, and other schemes based on Metropolis correction 21, are not discussed here, although these could be used in conjunction with several of the methods implemented. The improvement in thermodynamic sampling obtained through the use of more accurate Langevin integrators may, in some cases, provide an alternative to Metropolis-based correction in the practical setting. All methods under discussion require one force evaluation per iteration, and hence have practically of the same computational cost. This article proceeds as follows. In Section II we introduce Langevin dynamics in the context of configurational sampling and describe our method for examining the long-time behavior of averages under discretization of the stochastic differential equations (SDEs). Section III discusses the harmonic model problem, showing that for some particular schemes, the configurational sampling can be exact; this has implications for molecular simulations involving stiff harmonic bonds. Section IV addresses the errors obtained from computed averages in more general systems. Section V contains numerical experiments comparing various methods, both for one degree of freedom systems and for solvated and unsolvated alanine dipeptide, through implementation of the schemes in a version of NAMD 22. It is our contention that the numerical experiments of Section V provide strong evidence for rejecting many of the schemes in common use for stochastic molecular dynamics and favor the optimal BAOAB scheme of 12. ## II Background In this article we focus on Langevin dynamics, $\displaystyle{\rm d}q$ $\displaystyle=$ $\displaystyle M^{-1}p\,{\rm d}t,$ (2) $\displaystyle{\rm d}p$ $\displaystyle=$ $\displaystyle-\nabla U(q)\,{\rm d}t-\gamma p\,{\rm d}t+\sigma M^{1/2}\,{\rm d}W,$ (3) where $q,p\in\mathbb{R}^{3N}$ are vectors of instantaneous position and momenta respectively, $W=W(t)$ is a vector of $3N$ independent Wiener processes, $\gamma>0$ is a free (scalar) parameter and $M$ is a constant diagonal mass matrix. By choosing $\sigma=\sqrt{2\gamma\beta^{-1}}$ it is possible to show that the unique probability distribution sampled by the dynamics is the canonical (Gibbs-Boltzmann) density, defined as $\rho_{\beta}(q,p)=\Omega^{-1}e^{-\beta H(q,p)},$ (4) for total system energy (Hamiltonian) $H(q,p)=p^{T}M^{-1}p/2+U(q)$, and normalization constant $\Omega^{-1}$ ensuring the integral is unity. We consider numerical methods designed to integrate (2–3), primarily for the purpose of generating trajectories that sample $\rho_{\beta}.$ Such trajectories are often used as a means for calculating expectations of functions purely of the position $q$, and as such the dynamical fidelity of computed trajectories is of minor importance compared to the behavior of averages in the large-time limit. For such an observable $\phi$, we write the expectation as $\mathbb{E}\left[\phi(q)\right]=\Omega^{-1}\int\int\phi(q)\rho_{\beta}(q,p)\,{\rm d}q\,{\rm d}p=Z^{-1}\int\phi(q)\bar{\rho}_{\beta}(q)\,{\rm d}q=\lim_{T\rightarrow\infty}T^{-1}\int_{0}^{T}\phi(q(t)){\rm d}t,$ where the ergodicity of Langevin dynamics ensures a sampling of the desired probability distribution, and hence the ability to equate the long-time average along a trajectory with the corresponding spatial average. The challenge comes in integrating (2–3) effectively, and with minimal computational cost. Given a general potential energy function $U(q)$, we cannot integrate exactly and must evolve the dynamics by discretizing in time. Advancing the state requires the use of a numerical method which aims to approximate the exact evolution. A distribution of initial conditions $\rho$ propagated using a second-order numerical method will evolve according to the equation $\frac{\partial\rho}{\partial t}=\hat{\cal L}^{*}\rho,$ where $\hat{\cal L}^{*}$ may be expressed in the series expansion $\hat{{\cal L}}^{*}={\cal L}^{*}_{\text{LD}}+\delta t^{2}{\cal L}^{*}_{2}+{\cal O}(\delta t^{3}),$ (5) where ${\cal L}^{*}_{\text{LD}}$ is the operator associated to the exact propagation under Langevin dynamics and $\delta t$ is the step size. The invariant (long-time) distribution sampled by the scheme can in principle be obtained by solving the partial differential equation (PDE) $\hat{{\cal L}}^{*}\hat{\rho}=0$, assuming that the perturbed operator $\hat{{\cal L}}^{*}$ is known. Splitting methods4, 5, 6 offer a simple way of integrating the Langevin dynamics equations; the right hand side of (2–3) is divided into pieces, eg. $\dot{z}=f=f_{1}+f_{2}$, with each piece is solved exactly in sequence. Recent work 12 has shown that numerical methods derived from additive splittings of the vector field enable relatively simple computation of a method’s characteristic operator. The order of integration, and the choice of the splitting will define the method. For example, one may break Langevin dynamics into three pieces: $\left[\\!\\!\begin{array}[]{c}{\rm d}q\\\ {\rm d}p\end{array}\\!\\!\right]=\underbrace{\left[\\!\\!\begin{array}[]{c}M^{-1}p\\\ 0\end{array}\\!\\!\right]{\rm d}t}_{\rm A}+\underbrace{\left[\\!\\!\begin{array}[]{c}0\\\ -\nabla U(q)\end{array}\\!\\!\right]{\rm d}t}_{\rm B}+\underbrace{\left[\\!\\!\begin{array}[]{c}0\\\ -\gamma p{\rm d}t+\sigma M^{1/2}{\rm d}W\end{array}\\!\\!\right],}_{\rm O}$ (6) which are labelled $A$, $B$ and $O$. Each of the three pieces may be solved “exactly”: $A$ and $B$ correspond to a linear drift and kick when taken individually, while the $O$ piece is associated to an Ornstein-Uhlenbeck equation with “exact” solution $\displaystyle q(t)$ $\displaystyle=q(0),$ $\displaystyle p(t)$ $\displaystyle=e^{-\gamma t}p(0)+\frac{\sigma}{\sqrt{2\gamma}}\sqrt{1-e^{-2\gamma t}}M^{1/2}R_{t},$ where $R_{t}\sim{\cal N}(0,1)$ is a vector of uncorrelated noise processes. (By “exact” we mean that this random map generates the probability distribution $\rho(q,p,t)$ defined by the solutions of the Ornstein-Uhlenbeck equation.) Given the pieces of the splitting we code a method by giving the sequence of integration, from left to right. The string “ABO” represents the method obtained by solving first the “A” part for a timestep $\delta t$, then the “B” part, and finally the “O” part of the system. Where a symbol is repeated, as in “BAOAB,” there could be ambiguity in this representation but we will assume that the method is symmetric so that all “A” and “B” parts in BAOAB are integrated for a half timestep. Additionally, the methods of Bussi and Parrinello 23 (OBABO) as well as gla-1 (BAO) and gla-2 (BABO) of Bou-Rabee and Owhadi 7, are equivalent to splitting methods using these pieces. An alternate splitting formulation8 $\left[\\!\\!\begin{array}[]{c}{\rm d}q\\\ {\rm d}p\end{array}\\!\\!\right]=\underbrace{\left[\\!\\!\begin{array}[]{c}M^{-1}p\\\ 0\end{array}\\!\\!\right]{\rm d}t}_{\rm A}+\underbrace{\left[\\!\\!\begin{array}[]{c}0\\\ -\nabla U(q){\rm d}t-\gamma p{\rm d}t+\sigma M^{1/2}{\rm d}W\end{array}\\!\\!\right],}_{\rm S}$ (7) has been used to define two methods: stochastic position verlet (ASA) and stochastic velocity verlet (SAS). A technique is outlined in Section IV to calculate the operators $\hat{{\cal L}}^{*}$ of such splitting methods. For methods not derived from splitting the vector field, it can be more difficult to obtain their operators and examine their behavior. We compare the configurational sampling for a number of popular schemes in this article, not limiting the scope only to splitting methods. We will consider both ABOBA and BAOAB methods12, the Bussi/Parrinello method23, as well as the Stochastic Position Verlet method8. The Langevin Impulse (LI) method9, the BBK method 24 and the method of van Gunsteren and Berendsen (VGB)25 will also be compared, as these are frequently found in commercial software packages (for example, NAMD and GROMACS). Two first-order methods, Ermak-McCammon (EM)26 and Ermak-Buckholtz (EB)27 will also be considered in numerical experiments, for completeness, with each method described in Appendix B. ## III Performance of Langevin algorithms applied to the harmonic oscillator. We begin by considering the harmonic model problem. Harmonic oscillators are useful in the molecular simulation setting not only because they allow analytical determination of effective distributions, but also because they can be seen to be relevant to understanding the timestep limiting features of models for crystalline solids and biomolecules. The one-dimensional harmonic oscillator $U(q)=Kq^{2}/2$, $q\in\mathbb{R}$ and $K>0$, is a standard test case for Langevin dynamics numerical methods, as many issues of stability and timestep in molecular dynamics simulations arise due to harmonic potentials used to model covalent bonds. For such a simple system we may explicitly write one iteration of a general numerical method evolving the dynamics as 28 $\left[\begin{array}[]{c}q_{n+1}\\\ p_{n+1}\end{array}\right]\leftarrow\Psi\left[\begin{array}[]{c}q_{n}\\\ p_{n}\end{array}\right]+\mu_{n},$ where $\Psi$ is a matrix depending only on the step size $\delta t$, the friction coefficient $\gamma$, the particle mass $M$ and the spring constant $K$, while $\mu_{n}$ is a vector of stochastic processes. Let $\Psi=(\psi_{ij})$ and denote the components of $\mu_{n}$ by $\mu_{n,j}$ where $i,j\in\\{1,2\\}$. Taking products of the update equations, we obtain $\displaystyle q_{n+1}^{2}$ $\displaystyle=\psi_{11}^{2}q_{n}^{2}+\psi_{12}^{2}p_{n}^{2}+\mu_{n,1}^{2}+2\psi_{11}\psi_{12}q_{n}p_{n}+2\psi_{11}\mu_{n,1}q_{n}+2\psi_{12}\mu_{n,1}p_{n},$ (8) $\displaystyle p_{n+1}^{2}$ $\displaystyle=\psi_{21}^{2}q_{n}^{2}+\psi_{22}^{2}p_{n}^{2}+\mu_{n,2}^{2}+2\psi_{21}\psi_{22}q_{n}p_{n}+2\psi_{21}\mu_{n,2}q_{n}+2\psi_{22}\mu_{n,2}p_{n},$ (9) $\displaystyle q_{n+1}p_{n+1}$ $\displaystyle=\psi_{11}\psi_{21}q_{n}^{2}+\psi_{12}\psi_{22}p_{n}^{2}+\mu_{n,1}\mu_{n,2}$ $\displaystyle\quad+(\psi_{11}\psi_{22}+\psi_{12}\psi_{21})q_{n}p_{n}+(\psi_{11}\mu_{n,2}+\psi_{21}\mu_{n,1})q_{n}+(\psi_{22}\mu_{n,1}+\psi_{12}\mu_{n,2})p_{n}.$ (10) We then take expectations of (8-10) in the limit $n\rightarrow\infty$, giving simultaneous equations $\displaystyle\langle q^{2}\rangle$ $\displaystyle=\psi_{11}^{2}\langle q^{2}\rangle+\psi_{12}^{2}\langle p^{2}\rangle+\langle\hat{\mu}_{1}^{2}\rangle+2\psi_{11}\psi_{12}\langle qp\rangle+2\psi_{11}\langle\hat{\mu}_{1}q\rangle+2\psi_{12}\langle\hat{\mu}_{1}p\rangle,$ (11) $\displaystyle\langle p^{2}\rangle$ $\displaystyle=\psi_{21}^{2}\langle q^{2}\rangle+\psi_{22}^{2}\langle p^{2}\rangle+\langle\hat{\mu}_{2}^{2}\rangle+2\psi_{21}\psi_{22}\langle qp\rangle+2\psi_{21}\langle\hat{\mu}_{2}q\rangle+2\psi_{22}\langle\hat{\mu}_{2}p\rangle,$ (12) $\displaystyle\langle qp\rangle$ $\displaystyle=\psi_{11}\psi_{21}\langle q^{2}\rangle+\psi_{12}\psi_{22}\langle p^{2}\rangle+\langle\hat{\mu}_{1}\hat{\mu}_{2}\rangle+(\psi_{11}\psi_{22}+\psi_{12}\psi_{21})\langle qp\rangle$ $\displaystyle\quad+\psi_{11}\langle\hat{\mu}_{2}q\rangle+\psi_{21}\langle\hat{\mu}_{1}q\rangle+\psi_{22}\langle\hat{\mu}_{1}p\rangle+\psi_{12}\langle\hat{\mu}_{2}p\rangle,$ (13) where we use notation $\langle x\rangle=\mathbb{E}[x_{n}]$ for $x\in\\{q,p\\}$, and $\langle\hat{\mu}_{i}\rangle=\mathbb{E}[\mu_{n,i}]$. The value of $\langle\hat{\mu}_{i}x\rangle=\mathbb{E}[\mu_{n,i}\,x_{n}]$ will ultimately depend on the “memory” of a scheme’s stochastic process ${\mu}_{n}$, and can be found by computing $x_{n+1}\,\mu_{n+1,i}$ and taking expectations, yielding an expression involving $\mathbb{E}[\mu_{n,i}\mu_{n-1,i}]$ . We can hence solve the linear system (11-13) to find the error in long-time averages for a method, and its behavior under changes in $\delta t$ and $\gamma$, relative to the spring constant $K$, by comparing the numerical and analytic averages, the latter given as $\left[\begin{array}[]{c}\langle q^{2}\rangle^{*}\\\ \langle p^{2}\rangle^{*}\\\ \langle qp\rangle^{*}\\\ \end{array}\right]=\left[\begin{array}[]{c}K^{-1}\beta^{-1}\\\ M\beta^{-1}\\\ 0\\\ \end{array}\right].$ For the BAOAB and ABOBA methods, the numerical values (in the long-time limit) are $\left[\begin{array}[]{c}\langle q^{2}\rangle^{\text{(BAOAB)}}\\\ \langle p^{2}\rangle^{\text{(BAOAB)}}\\\ \langle qp\rangle^{\text{(BAOAB)}}\\\ \end{array}\right]=\left[\begin{array}[]{c}K^{-1}\beta^{-1}\\\ M\beta^{-1}\left(1-\frac{\delta t^{2}K}{4M}\right)\\\ 0\\\ \end{array}\right],\qquad\left[\begin{array}[]{c}\langle q^{2}\rangle^{\text{(ABOBA)}}\\\ \langle p^{2}\rangle^{\text{(ABOBA)}}\\\ \langle qp\rangle^{\text{(ABOBA)}}\\\ \end{array}\right]=\left[\begin{array}[]{c}K^{-1}\beta^{-1}\\\ M\beta^{-1}\left(1-\frac{\delta t^{2}K}{4M}\right)^{-1}\\\ 0\\\ \end{array}\right],$ surprisingly giving exact values for the configurational average. Both schemes yield the same friction-independent upper-bound on the step size of $\delta t_{\text{max}}=2\sqrt{M/K}$: the (determinisitic) Verlet step size threshold. This implies that we can choose any timestep below this limit and still achieve perfect sampling of $\langle q^{2}\rangle$, up to sampling error. This behavior is atypical of Langevin dynamics algorithms, for example comparing the Bussi/Parrinello and BBK schemes we find $\left[\begin{array}[]{c}\langle q^{2}\rangle^{\text{(BP)}}\\\ \langle p^{2}\rangle^{\text{(BP)}}\\\ \langle qp\rangle^{\text{(BP)}}\\\ \end{array}\right]=\left[\begin{array}[]{c}K^{-1}\beta^{-1}\left(1-\frac{\delta t^{2}K}{4M}\right)^{-1}\\\ M\beta^{-1}\\\ 0\\\ \end{array}\right],\qquad\left[\begin{array}[]{c}\langle q^{2}\rangle^{\text{(BBK)}}\\\ \langle p^{2}\rangle^{\text{(BBK)}}\\\ \langle qp\rangle^{\text{(BBK)}}\\\ \end{array}\right]=\left[\begin{array}[]{c}K^{-1}\beta^{-1}\left(1-\frac{\delta t^{2}K}{4M}\right)^{-1}\\\ M\beta^{-1}\left(1+\frac{\gamma\delta t}{2}\right)^{-1}\\\ 0\\\ \end{array}\right],$ giving identical second-order errors in configurational averages for this system, with the same value of $\delta t_{\text{max}}.$ The BBK scheme has a first order error in $\langle p^{2}\rangle$ that is also friction-dependent. The computed configurational averages for each scheme are shown in Table 1, while Figure 3 shows the result of computing the value of $\langle q^{2}\rangle$ numerically, using a fixed total number of steps and varying the step size. Three distinct regimes can be seen: the first-order “Ermak” methods, second-order methods and the exact methods (where any error comes solely from sampling error, rather than discretization error). We find that the method of van Gunsteren and Berendsen 25 is in fact 2nd order accurate for configurational sampling, not 3rd order as reported by those authors; we attribute this to a different notion of accuracy being used in that article. Scheme | $\langle q^{2}\rangle$ | Scheme | $\langle q^{2}\rangle$ ---|---|---|--- Exact | $K^{-1}\beta^{-1}$ | SPV | $K^{-1}\beta^{-1}\left(\gamma\,\delta t\frac{1-e^{-2\gamma\delta t}}{2\left(1-e^{-\gamma\delta t}\right)^{2}}\right)$ BAOAB | $K^{-1}\beta^{-1}$ | LI | $K^{-1}\beta^{-1}-\frac{\delta t^{2}}{12M\beta}+O\left(\delta t^{4}\right)$ ABOBA | $K^{-1}\beta^{-1}$ | VGB | $K^{-1}\beta^{-1}+\frac{\gamma^{2}M-2K}{24M\beta K}\delta t^{2}+O\left(\delta t^{4}\right)$ BBK | $K^{-1}\beta^{-1}\left(1-\frac{\delta t^{2}K}{4M}\right)^{-1}$ | EM | $K^{-1}\beta^{-1}\left(1-\frac{\delta t\,K}{2\gamma M}\right)^{-1}$ BP | $K^{-1}\beta^{-1}\left(1-\frac{\delta t^{2}K}{4M}\right)^{-1}$ | EB | $K^{-1}\beta^{-1}+\frac{\delta t}{2\gamma M\beta}+O\left(\delta t^{2}\right)$ Table 1: The expected long-time computed average of $q^{2}$ using each Langevin dynamics scheme, for the 1D harmonic oscillator $U(q)=Kq^{2}/2$. For brevity, some results are shown as leading order series in $\delta t.$ Figure 3: The numerically-computed average error in $\langle q^{2}\rangle$, using the 1D harmonic oscillator with a given Langevin Dynamics method. Computation was fixed at $10^{7}$ total force evaluations, with $M=\gamma=\beta=K=1$. The results are averaged over 2000 independent repeat runs, with error bars included to give the standard deviation in these results. The exactness property of the ABOBA and BAOAB schemes result in the error decreasing as step size increases due to sampling error. ## IV Error analysis for general systems Repeating the analysis in Section III for a more general $U(q)$ in a higher- dimensional setting is a challenging task for complicated schemes, but we do have a recently developed framework for carrying out the calculations. As we have noted previously we may define the invariant distribution of a second- order method $\hat{\rho}$ as the solution of the partial differential equation $\hat{{\cal L}}^{*}\hat{\rho}=0.$ Expanding the operator in a perturbation series in terms of the step size $\delta t$ and combining equations (1) and (5) yields $\left({{\cal L}}^{*}_{\rm LD}+\delta t^{2}\hat{{\cal L}}^{*}_{2}+\ldots\right)\rho_{\beta}\left(1-\delta t^{2}\beta f_{2}+\ldots\right)=0.$ Equating powers of the step size, we see that the order $0$ terms match automatically, leaving the leading order perturbation equation to be ${{\cal L}}^{*}_{\rm LD}\left(\rho_{\beta}\,f_{2}\right)=\beta^{-1}\hat{{\cal L}}^{*}_{2}\rho_{\beta}.$ (14) By the hypoelliptic property of the exact operator29, the unique solution to ${{\cal L}}^{*}_{\rm LD}\phi=0$ is $\phi\propto\rho_{\beta}$, hence the homogenous solution to (14) is simply $f_{2}=c$, a constant. Therefore we need only find a particular solution $f_{2}(q,p)$ solving (14) in order to find the leading order error in the long-time distribution $\hat{\rho}$. Once the perturbation is known, averages may be rebiased accordingly13, in effect increasing the order of the method. Of course $f_{2}$ may itself be a costly function to evaluate, involving a combination of high order derivatives of $U(q)$, and in the general case this is likely to lead to an inefficient method. For the ABOBA and BAOAB methods, the right hand side of (14) is $\displaystyle-\beta^{-1}\hat{{\cal L}}^{*({\rm ABOBA})}_{2}\rho_{\beta}$ $\displaystyle=\frac{\gamma\rho_{\beta}}{4\beta}\left(\Delta_{q}M^{-1}U(q)-\beta p^{T}M^{-2}U^{\prime\prime}(q)p\right)+\frac{\rho_{\beta}}{4}p^{T}M^{-2}U^{\prime\prime}(q)\nabla_{q}U(q)$ $\displaystyle\quad-\frac{\rho_{\beta}}{24}p^{T}\nabla_{q}p^{T}U^{\prime\prime}(q)M^{-3}p,$ $\displaystyle-\beta^{-1}\hat{{\cal L}}^{*({\rm BAOAB})}_{2}\rho_{\beta}$ $\displaystyle=-\frac{\gamma\rho_{\beta}}{4\beta}\left(\Delta_{q}M^{-1}U(q)-\beta p^{T}M^{-2}U^{\prime\prime}(q)p\right)-\frac{\rho_{\beta}}{4}p^{T}M^{-2}U^{\prime\prime}(q)\nabla_{q}U(q)$ $\displaystyle\quad+\frac{\rho_{\beta}}{12}p^{T}\nabla_{q}p^{T}U^{\prime\prime}(q)M^{-3}p,$ where $U^{\prime\prime}(q):=\nabla_{q}\nabla_{q}^{T}U(q)$ is the hessian matrix of mixed partial derivatives. Being able to write down equation (14) relies on the calculation of $\hat{{\cal L}}^{*}_{2}$, which involves the computation of a scheme’s perturbed operator (5), characterizing the evolution of a density of points in the phase space. This can be a challenge in itself, though for methods that derive from splitting the vector field, this operator is easily computed12 using successive applications of the Baker-Campbell-Hausdorff (BCH) formula for products of exponentials 30. As an example, consider the stochastic position verlet (SPV) method, using splitting pieces defined in equation (7). The infinitesimal generator associated to each part in (7) is given by ${\cal L}^{*}_{A}\phi=-M^{-1}p\cdot\nabla_{q}\phi,\hskip 14.45377pt{\cal L}^{*}_{S}\phi=\nabla_{q}U(q)\cdot\nabla_{p}\phi+\gamma\nabla_{p}\left(\phi p\right)+\frac{\sigma^{2}}{2}M\Delta_{p}\phi.$ Note that the exact operator ${\cal L}^{*}_{\rm LD}={\cal L}^{*}_{A}+{\cal L}^{*}_{S}.$ Using the notation from Section II, we code this numerical method as “ASA”. The characteristic evolution operator ${\cal L}^{*(SPV)}$ is then computed using $\exp\left(\delta t{\cal L}^{*(SPV)}\right)=\exp\left(\left(\delta t/2\right)\,{\cal L}^{*}_{A}\right)\exp\left({\delta t}{\cal L}^{*}_{S}\right)\exp\left(\left(\delta t/2\right)\,{\cal L}^{*}_{A}\right),$ where the BCH formula can be used to simplify the products of exponentials: $\exp(t{\cal L}_{1}^{*})\exp(t{\cal L}_{2}^{*})=\exp\left(t\left({\cal L}_{1}^{*}+{\cal L}_{2}^{*}\right)+\frac{t^{2}}{2}\left[{\cal L}_{1}^{*},{\cal L}_{2}^{*}\right]+\frac{t^{3}}{12}\left([{\cal L}_{1}^{*},[{\cal L}_{1}^{*},{\cal L}_{2}^{*}]]-[{\cal L}_{2}^{*},[{\cal L}_{2}^{*},{\cal L}_{1}^{*}]]\right)+O(t^{4})\right),$ and $[{\cal L}_{1}^{*},{\cal L}_{2}^{*}]={\cal L}_{1}^{*}{\cal L}_{2}^{*}-{\cal L}_{2}^{*}{\cal L}_{1}^{*}$ is the commutator of ${\cal L}_{1}^{*}$ and ${\cal L}_{2}^{*}$. By splitting the vector field (2-3), and choosing a preferred integration sequence, one can easily create and analyse a multitude of Langevin dynamics splitting methods using this technique; though it is perhaps surprising how small and subtle changes to the order of each piece’s integration can yield vastly different average behavior in the long-time limit. This effect is most easily apparent if an asymmetry is created when two adjacent letters are swapped in a symmetric method. Symmetry ensures that the order of a method is at least two (by the Jacobi identity), while destroying this property could hamper stability as well as the order of the method. Once the right hand side of (14) has been computed, solving to find the invariant density is an involving task and we do not pursue this here for the methods described above. In the case of the ABOBA and BAOAB methods, solutions can be obtained as doubly asymptotic expansions in both $\delta t$ and the reciprocal friction coefficient $\gamma^{-1}$; moreover a superconvergence property can be demonstrated for BAOAB configurational averages implying 4th order accuracy12. It is interesting to note that in the case of ABOBA, no such cancellation occurs, even though the methods have right hand sides that are apparently similar in the leading term. The fundamental limitation of the asymptotic approach is that it remains to determine in which regime the theoretically obtained features of the perturbed distribution are manifest in simulation. Large friction coefficient is known to reduce sampling efficiency, so we would need to work with modest values of $\gamma$, potentially invalidating the superconvergence property. Likewise the crucial issue in many cases is the size of the allowable timestep for simulation, not the asymptotic error behavior for small step size. These complexities must be addressed using computer experiment. ## V Numerical results One of the most important features of a numerical method for ergodic dynamics (such as Langevin dynamics) is its preservation of the theoretical global phase space exploration rate. The spectral properties of the operator ${\cal L}^{*}_{\text{LD}}$ guarantee that we will explore the entire phase space (ergodicity), while the relatively small perturbations to the operator induced by numerical discretization are hoped not to significantly alter the rate of search. Ultimately, pushing the timestep up is the only way to breach timescale gaps, although this comes at the cost of corruption to the long-time averages. The self-diffusion coefficient gives a metric quantifying the diffusion rate. It is often used as a way to compare the rate of phase space exploration between methods, and typically calculated using the integral of the velocity auto-correlation function. However, arbitrary methods can be constructed to artificially scale the velocity auto-correlation function, hence giving inaccurate diffusion constants. Indeed, calculating the temperature of the system from an average of kinetic energy by $3Nk_{B}T=\mathbb{E}\left[p^{T}M^{-1}p\right],$ (15) gives a similar problem. Alternative functions, including functions of $q$ only, can be obtained whose averages are proportional to the system temperature31, 32, 33. Such “configurational temperature” observables are normally based on the periodic forces of the system in order to work in periodic boundary conditions; in the droplet simulations reported below (i.e. without boundary conditions) we used the simpler expression: $3Nk_{B}T=\mathbb{E}\left[q\cdot\nabla U(q)\right].$ (16) Were one able to solve the dynamics exactly, the kinetic and configurational temperatures would of course be equal. However, using a numerical method in the large-timestep regime we instead sample expectations with respect to the perturbed density $\hat{\rho}$, that may introduce discrepancies between configurational and kinetic temperatures. It is our view that a configuration- based temperature calculation is normally more useful and relevant for assessing the quality of configurational sampling methods. In a similar way, the speed of exploration of the space should not be determined solely from functions of momentum, but should rely on actual barrier crossing rates or times to reach some target region of phase space. ### V.1 One-dimensional double well The advantages of performing tests initially on a simple model are that (i) the exact solution is known (or can be numerically integrated to arbitrary precision), while (ii) the model’s simplicity allows us to perform exhaustive computation to refine results and determine asymptotic properties. Here we use the algorithms to integrate Langevin dynamics for a one-dimensional model with potential function $U(q)=(q^{2}-1)^{2}+q$, a double-well. This example is well-studied as an approximation for modelling a dual state system. We use unit mass, friction and temperature, and test a range of step sizes, beginning at $\delta t=0.2$ and increasing by $5\%$ until we reach a step size where all of the methods are no longer stable. We run $500$ independent experiments for each step size, with computation fixed at $10^{9}$ iterations for each realisation. The error in configurational distribution is estimated by dividing the interval $[-2,2]$ into 16 equal bins, and calculating the observed configurational density in each bin for every computed trajectory. The error in the observed densities for each bin are calculated by comparing the absolute difference between the observed and exact expected densities (the latter obtained using a high-order numerical solver). The overall error in the configurational density is calculated from the root mean squared value of these errors. Additionally, we calculate the observed kinetic temperature (15) and configurational temperature (16) for each method. The results are shown in Figure 4. For the configurational distribution, all the methods shown give a second- order relation in the step size, in contrast to Figure 3. Notably, the BAOAB and ABOBA methods are no longer exact for this anharmonic model, while the two first-order methods do not appear at all, as neither of them is stable in this region. Of the methods that are stable, the BAOAB method gives both the largest usable timestep and the smallest maximum error in the configurational distribution for any given timestep. A sample plot of the computed distribution for all schemes at $\delta t=0.25$ is also given in Figure 4d, it is clear from this that the BAOAB scheme performs exceptionally well. Figure 4: The BAOAB scheme is shown to significantly reduce configurational discretization errors, which distort averages in Langevin Dynamics, for the one-dimensional double-well system with potential energy function $U(q)=(q^{2}-1)^{2}+q$. Errors are computed from the average of 500 independent trajectories, with $10^{9}$ total iterations per trajectory. The step sizes tested began at $\delta t=0.2$ and were increased by $5\%$ incrementally until all schemes became unstable. The relative error in the temperature (computed by averaging the momenta) is given in (a), with the scheme of Bussi/Parrinello giving a high order relationship with the step size. This is contrasted in (c) where the temperature is calculated using the instantaneous system position; here it is instead the BAOAB scheme that gives a high order result. The error in configurational distribution (calculated as a root mean squared deviance in the histogram bins) is shown in (b), with a sample computed distribution given in (d) for $\delta t=0.25.$ The exact distribution is shown as a dashed line, with the inset magnifying the density of the deepest well. Of particular note is the apparent lack of direct correspondence between the errors in configurational temperature and kinetic temperature. The Bussi/Parrinello scheme is shown to preserve the kinetic temperature to a very high degree, with less than a $1\%$ error for $\delta t<0.25,$ while, at the same step size, the BAOAB integrator gives more than $10\%$ discrepancy in kinetic temperature. However, these results are inverted when looking at configurational sampling accuracy (and configurational temperature). Clearly, if maintaining the configurational averages is the goal, estimating the fidelity of the calculation by relying on the kinetic temperature is a risky strategy. A much more reliable approach is to make use of the configurational temperature, although even this does not give the complete story, since in the example at hand the configurational temperature scales with a high power of the step size, while configurational sampling error declines as the second power of $\delta t$. The second order behavior does not contradict our previous observations12 as we are here far from the large $\gamma$ limit, but does indicate that the superconvergence property is not the key feature at play in the setting of this model problem. ### V.2 Alanine dipeptide In our next experiments, we studied the alanine dipeptide molecule, a classic test case for molecular dynamics. We compare computed averages for solvated and unsolvated alanine dipeptide using the BAOAB, ABOBA, van Gunsteren and Berendsen, Bussi and Parrinello, Langevin Impulse, Stochastic Position Verlet (SPV) and the Brünger/Brooks/Karplus (BBK) schemes. We obtained poor results using the first-order schemes and therefore did not consider them here. To provide a means of calculating basline values, we use the stochastic position verlet (SPV) method with a small step size, for which the discretization error is essentially negligible. We implement each of the methods in the NAMD lite package22, and observe the effect of discretization error (if any) on computed configurational averages. The CHARMM22 forcefield was used to compute force interactions. #### V.2.1 Unsolvated We simulate the alanine dipeptide molecule (22 atoms) in vacuum at 300K for 2.5ns for multiple different step sizes and friction constants, to observe how different simulation parameters affect computed averages. Parameters for each run were taken from a $50\times 50$ grid, with each point on the grid corresponding to a $(\delta t,\gamma)$ parameter set for a simulation. The parameters for the bottom-left point on this grid are $\delta t_{1}=1$fs, $\gamma_{1}=10^{-2}/$ps, where each grid point moving upward gives a $20.7\%$ increase in the friction value used, while each grid point moving right gives a $2.46\%$ increase in step size. These ratios were chosen so as to give a broad range of parameter sets to test over, while ensuring that the range was not so wide as to yield a large number of unsuitable parameter sets (for example, using an unstable step size) leading to wasted computation. All the schemes were unstable for the maximum step size tested ($\delta t_{50}=3.29$fs). Figure 5: Results from $2.5$ns simulations of alanine dipeptide in vacuum at the given step size (horizontal) and friction (vertical). Pixels are colored according to relative errors for each simulation, with white pixels indicating instability. The results of the simulations for each scheme are given in Figure 5, where we color points on the $50\times 50$ grid of parameter sets to indicate the results from that respective simulation. Relative errors are calculated in the average total potential energy and the average total bond energies, where the “exact” comparison value is taken from averaging ten 2.5ns runs using the SPV scheme at $\delta t=0.25$fs, where it is expected that discretization error is not significant. With such a small simulation we would perhaps expect to see a very “noisy” result: high variances due to the sampling error vastly outweighing the discretization error. But in fact the discretization error dominates and is observable at step sizes significantly below the stability threshold. White pixels in the grids in Figure 5 represent a method’s instability, showing that in general there is a small stability threshold increase for the large-friction case. There is no significant increase in this threshold between the methods however, with BAOAB, VGB and LI schemes giving a marginal increase over the others. One salient feature of the results of Figure 5, is that for the BAOAB scheme there is consistently less than a $1\%$ error in the computed configurational temperature (for moderate friction) across all step sizes, even the largest stable timesteps tested. The relative errors obtained were so small that no discernable trend (with step size) can be shown, due to the sampling error, whereas the other schemes tested show an error consistent with second-order schemes (an example is given in Appendix C). Self-diffusion coefficients are calculated from integrating the computed velocity autocorrelation function, where a history is kept of the velocities for 1ps. The values plotted in Figure 6 show that changing the step size within the indicated range using any of the schemes has only a very slight effect on the diffusion coefficient, while increasing the friction can dramatically reduce it. Examining the graphs, we settle on $\gamma=1/$ps as the largest value of $\gamma$ for which the diffusion coefficient is unperturbed for all the schemes. It is interesting that larger damping parameters do not substantially improve numerical stability for any of the methods, except in an extreme case for the VGB method ($\gamma\approx 100/$ps, where the diffusion constant is drastically reduced). Numerical values for the computed average potential energy are given in Table 2 for varying step size at $\gamma=1/$ps. Figure 6: The number of barrier recrossings (top) and the diffusion coefficients (bottom) are shown for each simulation, the latter in $\text{m}^{2}/$s and computed by integrating the velocity autocorrelation function over an interval of 1ps. As expected, the computed coefficients do not vary significantly between methods, though changing the friction above 1/ps has a substantial effect. Scheme | Average total potential energy (kcal/mol) | Total number of observed recrossings ---|---|--- $\delta t=1.5$fs | $\delta t=2$fs | $\delta t=2.5$fs | $\delta t=3$fs | $\delta t=1.5$fs | $\delta t=2$fs | $\delta t=2.5$fs | $\delta t=3$fs BAOAB | $1.65\pm 0.04$ | $1.67\pm 0.05$ | $1.68\pm 0.03$ | $1.70\pm 0.05$ | $821\pm 17$ | $814\pm 25$ | $823\pm 21$ | $798\pm 11$ ABOBA | $1.69\pm 0.05$ | $1.70\pm 0.03$ | $1.75\pm 0.03$ | $1.87\pm 0.04$ | $823\pm 17$ | $829\pm 20$ | $826\pm 23$ | $833\pm 26$ SPV | $1.70\pm 0.13$ | $1.70\pm 0.05$ | $1.74\pm 0.06$ | $1.88\pm 0.03$ | $811\pm 56$ | $822\pm 22$ | $838\pm 26$ | $835\pm 22$ VGB | $1.89\pm 0.03$ | $2.14\pm 0.05$ | $2.65\pm 0.06$ | $4.27\pm 0.04$ | $802\pm 19$ | $804\pm 28$ | $812\pm 16$ | $813\pm 17$ LI | $2.05\pm 0.05$ | $2.42\pm 0.04$ | $3.21\pm 0.06$ | $5.84\pm 0.06$ | $837\pm 33$ | $819\pm 19$ | $822\pm 24$ | $821\pm 27$ BP | $2.75\pm 0.05$ | $3.91\pm 0.06$ | $6.19\pm 0.05$ | $14.0\pm 0.18$ | $828\pm 27$ | $801\pm 19$ | $821\pm 21$ | $818\pm 41$ BBK | $2.78\pm 0.03$ | $3.89\pm 0.05$ | $6.21\pm 0.06$ | $13.9\pm 0.10$ | $826\pm 18$ | $825\pm 24$ | $834\pm 19$ | $835\pm 16$ _Baseline_ | $1.66\pm 0.04$ | $808\pm 28$ Table 2: Numerical results for ten $2.5$ns simulations of unsolvated alanine dipeptide, with friction set to $\gamma=1/$ps. The mean and standard deviations of all simulations are given. The baseline comparison run was completed by averaging ten $2.5$ns simulations using $\delta t=0.25$fs with the SPV scheme. Sampling error will play a large role in the determination of these averages, but it is clear that the BAOAB scheme outperforms the others by a significant margin. The number of observed recrossings is obtained by counting the number of times the central dihedral angles in the alanine dipeptide model hop between their two configurations. If we accept, say, a 5% error tolerance for the average potential energy, we see that BAOAB admits a usable step size of up to $3$fs, whereas the ABOBA and SPV schemes are restricted to a neighborhood of $2$fs, with the usable timestep threshold for other methods well below $1.5$fs. #### V.2.2 Solvated We immerse the alanine dipeptide molecule in a sphere of TIP3P water (10A radius, total system is 424 atoms) and equilibrate for 1ns at 300K to generate an initial configuration. We then run simulations using each scheme considered in the unsolvated case, using a 10A cutoff for electrostatics and van der Waals potentials. The value of friction was fixed at $1/$ps, with runs performed with increasing step size. Initial timesteps were $\delta t=2$fs, with subsequent simulations increasing the step size by $5\%$, until reaching a step size where all of the methods fail. Each simulation was performed for $5$ns at $T=300$K using spherical (harmonically restrained) boundary conditions. Although the particular boundary conditions may not be representative of all biomolecular simulations, we contend that the crucial features of numerical stability and relative method performance are unaffected by the particular choice. The results are given in Figure 7. Compared to the scheme of Bussi and Parrinello, the relative error in average total potential energy using the BAOAB scheme is seen to be smaller by two orders of magnitude when computed at a step size around $\delta t=2.5$fs. The surprising downward trend of the error using the BAOAB scheme could be indicative of higher-order terms dominating in the error expansion, showing that our asymptotic approach does not give definitive answers about bevavior in the large step size regime. The analytic results obtained for the discretization error are understood only for $\delta t\rightarrow 0$. More detailed analytical investigation of this phenomenon is beyond the scope of this article. Figure 7: Numerical results from 5ns runs of alanine dipeptide solvated in a 10A sphere of TIP3P water are shown, using the given algorithms. Errors are computed against a baseline solution averaged from ten 5ns simulations using the SPV scheme at $\delta t=0.5$fs. Results from a single run are shown for each scheme except in the case of the BAOAB method. The BAOAB scheme shows an order of magnitude improvement in the error in computed average total potential energy; because of the small absolute errors, we exhibit the means and standard deviations from 10 runs for each step size used. The lack of an observed trend line for BAOAB suggests that the discretization error is being dominated by the sampling error. The breakdown of results for all energy contributions is given in Appendix D. It is clear from these results that the average bond energy is a crucial component in explaining the results of Figure 7. The average bond energy computed using the BAOAB scheme gives a flat profile with respect to the timestep increasing, whereas many other methods demonstrate an extreme drift approaching the stability threshold, causing a large error in the average total potential energy. The averages of other energies do not significantly contribute to the observed errors. The contribution of error coming from the restraining boundary condition energy was extremely small, suggesting that the properties of the bulk water in the model are responsible for the differences in efficiency seen here. Hence we would expect the obseved corruption of averages to be generalizable to any simulations involving other boundary conditions, or other simulations involving water. ## VI Conclusion We have studied a total of nine different integration methods for the Langevin dynamics equations, including popular schemes that are in widespread use for molecular sampling. We have seen that some of these can be derived as splitting methods and in a few cases the perturbation of the invariant distribution has been determined in some regime (for example, the small step size, large friction limits). It is also possible to solve for the error in averages as a function of step size in the case of a harmonic oscillator, which we believe has direct relevance for biomolecular modelling where the bond stretches are modelled as harmonic restraints. Harmonic models are also likely to relate well to simulations of crystalline materials34. Our analyses show that a particular ordering of the building blocks of a splitting method, the BAOAB integrator12, provides exact configurational averages for the harmonic oscillator and 4th order accurate configurational averages for a general nonlinear model in the large friction limit. We have examined the performance of this method in relation to other schemes for toy models and for small biomolecular models both with and without solvent, with the observation that the analytical results on the error in distribution are highly correlated to their performance in practice. In particular, the BAOAB method performs very differently than the other methods in practical simulations, giving much higher accuracies (particularly for the configurational temperature) up to the Verlet stability threshold. A surprising observation is that discretization error, not sampling error, dominates in the simulations we performed, which involved a common small biomolecular test system and a time interval of only a few nanoseconds. Let us put the numerical results into perspective. Our simulations explore only a few of the available quantities that might be relevant for modelling. It is interesting that all of the second order schemes tested provided reasonable transition rates (in terms of barrier crossings), and so would give a similar rate of exploration of the phase space. Since molecular dynamics is often used for phase space exploration and supplemented by other techniques for precise averaging, the methods may have some utility regardless of the fact that they provide in some cases very poor approximation of configurational averages. It is also possible for a scheme to accurately resolve one quantity but not another (for example, in the case of unsolvated alanine dipeptide, the scheme of van Gunsteren and Berendsen gives reasonably good configurational temperatures but poor average potential energies). The ABOBA and SPV methods perform very similarly, and reasonably well, both for energy calculations and in terms of configurational temperature in all of the numerical experiments performed with alanine dipeptide. The similarity between these methods is a consequence of the fact that both are drift-kick- drift style algorithms, with a subtle difference in their “kick” updates: the ABOBA scheme solves (3) in a leapfrog manner by splitting off the force from the Ornstein-Uhlenbeck stochastic term, where as the SPV scheme solves equation (3) exactly for constant position $q$. One may expect that an exact solve would provide the method better properties, but in practice the leapfrog splitting in ABOBA is advantageous in the high friction regime. For large $\gamma$, the result of solving exactly means that the momentum update becomes dominated by the noise, shrinking the contribution from the force term. The advantage of splitting up (3) is that this isolates the force from the noise, integrating it separately, making ABOBA (and indeed other schemes using the same splitting strategy, such as BAOAB and Bussi and Parrinello) effective for any value of $\gamma\geq 0$. Using quantities based on the momenta to estimate temperature or diffusion constants is called into question; certainly the connection between the accuracy of the kinetic energy average and the accuracy of other more directly relevant quantities is weak. The kinetic temperature measure is an accurate approximation of the true temperature in the case of the VGB scheme, but this same method gives relatively poor potential energy averages. We conclude by emphasizing that for bond energy and total potential energy averages, in vacuum simulation, the BAOAB method performs better than the other methods and is substantially better at large step sizes, giving a larger useful range of step size by a factor of at least 25% with an order of magnitude smaller errors at large step size. The differences are magnified still further when configurational temperatures are compared. ###### Acknowledgements. We thank David Hardy (University of Illinois) for his support with the modification of the NAMD package. We also appreciate the support of the Lorentz Center (Leiden, NL) and the programme on “Modelling the Dynamics of Complex Molecular Systems” which supported the authors and provided valuable interactions during the preparation of the article. This work has made use of the resources provided by the Edinburgh Compute and Data Facility (http://www.ecdf.ed.ac.uk/). The ECDF is partially supported by the eDIKT initiative (http://www.edikt.org.uk). We further acknowledge the support of the Engineering and Physical Sciences Research Council which has funded this work as part of the Numerical Algorithms and Intelligent Software Centre under Grant EP/G036136/1. ## References * 1 Allen, M. P. and Tildesley, D. Computer Simulation of Liquids. Oxford Science Publications. Clarendon Press (1989). * 2 Leimkuhler, B. and Reich, S. Simulating Hamiltonian Dynamics. Cambridge Monographs on Applied and Computational Mathematics. Cambridge University Press (2005). * 3 Athénes, M. The European Physical Journal B - Condensed Matter and Complex Systems 38, 651–663 (2004). * 4 Shardlow, T. SIAM Journal on Scientific Computing 24 1267–1282 (2003) * 5 Thalmann, F. and Farago, J. The Journal of Chemical Physics 127, 124109 (2007). * 6 Sivak, D. A., Chodera, J. D., and Crooks, G. E. arXiv:1107.2967v4, (2012). * 7 Bou-Rabee, N. and Owhadi, H. SIAM Journal on Numerical Analysis 48, 278–297 (2010). * 8 Melchionna, S. The Journal of Chemical Physics 127, 044108 (2007). * 9 Skeel, R. D. and Izaguirre, J. A. Molecular Physics 100, 3885–3891 (2002). * 10 Lelièvre, T., Rousset, M., and Stoltz, G. Mathematics of Computation 81, 2071 (2012). * 11 Talay, D. and Tubaro, L. Stochastic Analysis and Applications 8, 483–509 (1990). * 12 Leimkuhler, B. and Matthews, C. Applied Mathematics Research eXpress 2013, 34–56 (2013). * 13 Bond, S. D. and Leimkuhler, B. J. Acta Numerica 16, 1–65 (2007). * 14 Davidchack, R. L. Journal of Computational Physics 229, 9323–9346 (2010). * 15 Kirmizialtin, S. and Elber, R. The Journal of Physical Chemistry A 115, 6137–6148 (2011). * 16 Izaguirre, J., Sweet, C., and Pande, V. In Pac Symp Biocomput, volume 15, 240–251 (2010). * 17 Bolhuis, P., Chandler, D., Dellago, C., and Geissler, P. Annual review of physical chemistry 53, 291–318 (2002). * 18 Meerbach, E., Dittmer, E., Horenko, I., and Schütte, C. Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 , 495–517 (2006). * 19 Duane, S., Kennedy, A., Pendleton, B. J., and Roweth, D. Physics Letters B 195, 216–222 (1987). * 20 Lelièvre, T., Stoltz, G., and Rousset, M. Free Energy Computations: A Mathematical Perspective. Imperial College Press (2010). * 21 Bou-Rabee, N. and Vanden-Eijnden, E. Communications on Pure and Applied Mathematics 63, 655–696 (2010). * 22 Hardy, D. J. http://www.ks.uiuc.edu/Development/MDTools/namdlite/, University of Illinois at Urbana-Champaign, (2007). * 23 Bussi, G. and Parrinello, M. Phys. Rev. E 75, 056707 (2007). * 24 Brünger, A., Brooks, C. L., and Karplus, M. Chemical Physics Letters 105, 495–500 (1984). * 25 Van Gunsteren, W. F. and Berendsen, H. J. C. Molecular Simulation 1, 173–185 (1988). * 26 Ermak, D. L. and McCammon, J. A. The Journal of Chemical Physics 69, 1352–1360 (1978). * 27 Ermak, D. L. and Buckholz, H. Journal of Computational Physics 35, 169–182 (1980). * 28 Burrage, K. and Lythe, G. SIAM J. Numer. Anal. 47, 1601–1618 (2009). * 29 Hörmander, L. Acta Mathematica 119, 147–171 (1967). * 30 Hairer, E., Lubich, C., and Wanner, G. Geometric Numerical Integration: Structure-Preserving Algorithms for Ordinary Differential Equations. Springer Series in Computational Mathematics. Springer, second edition (2006). * 31 Rugh, H. H. Phys. Rev. Lett. 78, 772–774 (1997). * 32 Landau, L. D. and Lifshitz, E. M. Statistical Physics. Nakura (1952). * 33 Jepps, O. G., Ayton, G., and Evans, D. J. Phys. Rev. E 62, 4757–4763 (2000). * 34 Smargiassi, E. and Madden, P. A. Phys. Rev. B 51, 117–128 (1995). ## Appendix A Implementation details of Figure 2 We consider a single particle confined to the plane, with instantaneous horizontal and vertical position denoted $x,y\in\mathbb{R}$ respectively. The particle feels a force with respect to the potential energy function $U(x,y)=\frac{1+5\Big{(}1-\exp\Big{(}-250\left(y-0.25\right)^{2}\Big{)}\Big{)}\,\exp\Big{(}-100x^{2}\Big{)}}{\left(\sqrt{x^{2}+y^{2}}-1\right)^{2}}+\frac{4\,\exp\Big{(}-20x^{2}\Big{)}}{5},$ qualitatively giving an energy surface with a narrow transition pathway between two basins. We seek to sample the canonical distribution $\bar{\rho}_{\beta}(x,y)$ using Langevin dynamics, comparing the computed distributions given by the BAOAB and Bussi/Parrinello algorithms (given in the following section) at varying stepsizes. Figure 2 corresponds to numerical experiments using fixed friction constant $\gamma=10$ and temperature $\beta=1$. From left to right, the stepsizes tested were $\delta t=\left[0.005,0.021,0.024,0.027,0.03\right]$. Each image is a two dimensional histogram over the unit square centered on the origin, with 100 equally spaced bins in both directions. The computed density shown for each timestep is averaged from 64 runs of $10^{8}$ steps. ## Appendix B Numerical methods We present the numerical methods used in this article, assuming timestep $\delta t$, friction constant $\gamma$ and temperature $T$ with diagonal mass matrix $M$ and position and momentum vectors $q,p$ respectively. The force is $F(q):=-\nabla U(q)$ and $k_{B}$ is Boltzmann’s constant. $R_{n}$ is a $3N$-vector of independent, identically distributed normal random numbers with zero mean and unit variance. Where $J>1$ random numbers are required per degree of freedom, multiple independent (uncorrelated) random vectors are denoted $R^{(j)}_{n},j=1,\ldots,J$ in the schemes. BAOAB Note: This scheme is available in recent versions of NAMD (after Jan 2013) by including options ‘ _langevin on_ ’ and ‘ _langevinBAOAB on_ ’ in the input parameter file. $\displaystyle p_{n+1/3}$ $\displaystyle=p_{n}+\frac{\delta t}{2}F(q_{n}),$ $\displaystyle q_{n+1/2}$ $\displaystyle=q_{n}+\frac{\delta t}{2}M^{-1}p_{n+1/3},$ $\displaystyle p_{n+2/3}$ $\displaystyle=e^{-\gamma\delta t}p_{n+1/3}+\sqrt{k_{B}T\left(1-e^{-2\gamma\delta t}\right)}M^{1/2}R_{n},$ $\displaystyle q_{n+1}$ $\displaystyle=q_{n+1/2}+\frac{\delta t}{2}M^{-1}p_{n+2/3},$ $\displaystyle p_{n+1}$ $\displaystyle=p_{n+2/3}+\frac{\delta t}{2}F(q_{n+1})$ ABOBA $\displaystyle q_{n+1/2}$ $\displaystyle=q_{n}+\frac{\delta t}{2}M^{-1}p_{n},$ $\displaystyle p_{n+1/3}$ $\displaystyle=p_{n}+\frac{\delta t}{2}F(q_{n+1/2}),$ $\displaystyle p_{n+2/3}$ $\displaystyle=e^{-\gamma\delta t}p_{n+1/3}+\sqrt{k_{B}T\left(1-e^{-2\gamma\delta t}\right)}M^{1/2}R_{n},$ $\displaystyle p_{n+1}$ $\displaystyle=p_{n+2/3}+\frac{\delta t}{2}F(q_{n+1/2}),$ $\displaystyle q_{n+1}$ $\displaystyle=q_{n+1/2}+\frac{\delta t}{2}M^{-1}p_{n+1}$ Van Gunsteren/Berendsen (VGB) We must initialize the vector $X$, $X_{1}=\kappa_{4}M^{-1/2}R^{(3)}_{0},$ and then iterate $\displaystyle V_{n+1}$ $\displaystyle=\kappa_{1}M^{-1/2}R^{(1)}_{n},$ $\displaystyle\hat{V}_{n+1}$ $\displaystyle=\kappa_{2}X_{n}+\kappa_{3}M^{-1/2}R^{(2)}_{n},$ $\displaystyle p_{n+1}$ $\displaystyle=e^{-\gamma\delta t}p_{n}+\frac{1-e^{-\gamma\delta t}}{\gamma}F(q_{n})+M\left(V_{n+1}-e^{-\gamma\delta t}\hat{V}_{n+1}\right),$ $\displaystyle X_{n+1}$ $\displaystyle=\kappa_{4}M^{-1/2}R^{(3)}_{n},$ $\displaystyle\hat{X}_{n+1}$ $\displaystyle=\kappa_{5}V_{n+1}+\kappa_{6}M^{-1/2}R^{(4)}_{n},$ $\displaystyle q_{n+1}$ $\displaystyle=\frac{e^{\gamma\delta t/2}-e^{-\gamma\delta t/2}}{\gamma}M^{-1}p_{n+1}+X_{n+1}-\hat{X}_{n+1},$ where we use $3N$–vectors $X,\hat{X},V,\hat{V}.$ Constants $\kappa_{i}$ are given as $\displaystyle\kappa_{1}$ $\displaystyle=\sqrt{k_{B}T\left(1-e^{-\gamma\delta t}\right)},$ $\displaystyle\kappa_{2}$ $\displaystyle=\frac{2\gamma-\gamma e^{\gamma\delta t/2}-\gamma e^{-\gamma\delta t/2}}{\gamma\delta t-3+e^{-\gamma\delta t}\left(4e^{\gamma\delta t/2}-1\right)},$ $\displaystyle\kappa_{3}$ $\displaystyle=\sqrt{k_{B}T}\sqrt{\frac{\gamma\delta t\left(e^{\gamma\delta t}-1\right)-4\left(e^{\gamma\delta t/2}-1\right)^{2}}{\gamma\delta t-3+e^{-\gamma\delta t}\left(4e^{\gamma\delta t/2}-1\right)}},$ $\displaystyle\kappa_{4}$ $\displaystyle=\gamma^{-1}\sqrt{k_{B}T}\sqrt{\gamma\delta t-3+e^{-\gamma\delta t}\left(4e^{\gamma\delta t/2}-1\right)},$ $\displaystyle\kappa_{5}$ $\displaystyle=\gamma^{-1}\left(\frac{2-e^{\gamma\delta t}-e^{-\gamma\delta t}}{e^{-2\gamma\delta t}-1}\right),$ $\displaystyle\kappa_{6}$ $\displaystyle=\gamma^{-1}\sqrt{k_{B}T}\sqrt{\frac{\gamma\delta t\left(e^{-\gamma\delta t}-1\right)+4\left(e^{-\gamma\delta t/2}-1\right)^{2}}{e^{-\gamma\delta t}-1}}.$ Stochastic Position Verlet (SPV) $\displaystyle q_{n+1/2}$ $\displaystyle=q_{n}+\frac{\delta t}{2}M^{-1}p_{n},$ $\displaystyle p_{n+1}$ $\displaystyle=e^{-\gamma\delta t}p_{n}+\frac{1-e^{-\gamma\delta t}}{\gamma}F(q_{n+1/2})+\sqrt{k_{B}T\left(1-e^{-2\gamma\delta t}\right)}M^{1/2}R_{n},$ $\displaystyle q_{n+1}$ $\displaystyle=q_{n+1/2}+\frac{\delta t}{2}M^{-1}p_{n+1}$ Bussi/Parrinello (BP) $\displaystyle p_{n+1/4}$ $\displaystyle=e^{-\gamma\delta t/2}p_{n}+\sqrt{k_{B}T\left(1-e^{-\gamma\delta t}\right)}M^{1/2}R^{(1)}_{n},$ $\displaystyle p_{n+2/4}$ $\displaystyle=p_{n+1/4}+\frac{\delta t}{2}F(q_{n}),$ $\displaystyle q_{n+1}$ $\displaystyle=q_{n}+{\delta t}M^{-1}p_{n+2/4},$ $\displaystyle p_{n+3/4}$ $\displaystyle=p_{n+2/4}+\frac{\delta t}{2}F(q_{n+1}),$ $\displaystyle p_{n+1}$ $\displaystyle=e^{-\gamma\delta t/2}p_{n+3/4}+\sqrt{k_{B}T\left(1-e^{-\gamma\delta t}\right)}M^{1/2}R^{(2)}_{n}$ Langevin Impulse (LI) We use the algorithm designed for configurational sampling; a correction term is given in 9 to improve the sampling of momenta, though this has no effect on configurational averages. We must initialize the $3N$–vector $Z$, $Z_{1}=M^{1/2}\left(\alpha_{0}R_{0}+\hat{\alpha}R_{1}\right).$ and then iterate $\displaystyle p_{n+1/4}$ $\displaystyle=p_{n}+\omega\delta tF(q_{n}),$ $\displaystyle p_{n+2/4}$ $\displaystyle=e^{-\gamma\delta t/2}\left(p_{n+1/4}+\omega Z_{n}\right),$ $\displaystyle q_{n+1}$ $\displaystyle=q_{n}+\frac{1-e^{-\gamma\delta t}}{\gamma e^{-\gamma\delta t/2}}M^{-1}p_{n+2/4},$ $\displaystyle Z_{n+1}$ $\displaystyle=M^{1/2}\left(\alpha R_{n}+\hat{\alpha}R_{n+1}\right),$ $\displaystyle p_{n+3/4}$ $\displaystyle=e^{-\gamma\delta t/2}p_{n+2/4}+\hat{\omega}Z_{n+1},$ $\displaystyle p_{n+1}$ $\displaystyle=p_{n+3/4}+\hat{\omega}F(q_{n+1}),$ where $\displaystyle\omega=\frac{e^{-\gamma\delta t}+\gamma\delta t-1}{\gamma\delta t\left(1-e^{-\gamma\delta t}\right)},\qquad\hat{\omega}=1-\omega,$ $\displaystyle a=k_{B}T\left(2\omega^{2}\gamma\delta t+\omega-\hat{\omega}\right),$ $\displaystyle b=k_{B}T\left(2\omega\hat{\omega}\gamma\delta t+\hat{\omega}-\omega\right),$ $\displaystyle c=k_{B}T\left(2\hat{\omega}^{2}\gamma\delta t+\omega-\hat{\omega}\right),$ $\displaystyle\alpha=2^{-1/2}\sqrt{c+a+\sqrt{(c+a)^{2}-4b^{2}}},$ $\displaystyle\hat{\alpha}=2^{-1/2}\sqrt{c+a-\sqrt{(c+a)^{2}-4b^{2}}},$ $\displaystyle\alpha_{0}=\sqrt{\alpha^{2}-c}.$ Brünger/Brooks/Karplus (BBK) $\displaystyle p_{n+1/2}$ $\displaystyle=\left(1-\frac{\gamma\delta t}{2}\right)p_{n}+\frac{\delta t}{2}F(q_{n})+\frac{1}{2}\sqrt{2\gamma k_{B}T\delta t}M^{1/2}{R_{n}},$ $\displaystyle q_{n+1}$ $\displaystyle=q_{n}+{\delta t}M^{-1}p_{n+1/2},$ $\displaystyle p_{n+1}$ $\displaystyle=\left(1+\frac{\gamma\delta t}{2}\right)^{-1}\left(p_{n+1/2}+\frac{\delta t}{2}F(q_{n+1})+\frac{1}{2}\sqrt{2\gamma k_{B}T\delta t}M^{1/2}R_{n+1}\right),$ Ermak/McCammon (EM) As we consider only the scalar friction case, the update scheme for the position reduces to the Euler-Maruyama algorithm, with rescaled timestep.The update scheme for the momenta is unused in our numerical experiments, but can be found in 26. We iterate $\displaystyle q_{n+1}=q_{n}+\frac{\delta tD}{k_{B}T}M^{-1}F(q_{n})+\sqrt{2D\delta t}M^{-1/2}R_{n},$ where $D=k_{B}T/\gamma.$ Ermak/Buckholtz (EB) $\displaystyle p_{n+1}$ $\displaystyle=e^{-\gamma\delta t}p_{n}+\frac{1-e^{-\gamma\delta t}}{\gamma}F(q_{n})+\sqrt{k_{B}T\left(1-e^{-\gamma\delta t}\right)}M^{1/2}R^{(1)}_{n},$ $\displaystyle q_{n+1/3}$ $\displaystyle=q_{n}+M^{-1}\left(p_{n}+p_{n+1}-2\gamma^{-1}F(q_{n})\right)\frac{1-e^{-\gamma\delta t}}{\gamma\left(1+e^{-\gamma\delta t}\right)},$ $\displaystyle q_{n+2/3}$ $\displaystyle=q_{n+1/3}+\gamma^{-1}\delta tM^{-1}F(q_{n}),$ $\displaystyle q_{n+1}$ $\displaystyle=q_{n+2/3}+\gamma^{-1}\sqrt{2k_{B}T\left(\gamma\delta t-2\frac{1-e^{-\gamma\delta t}}{1+e^{-\gamma\delta t}}\right)}M^{-1/2}R^{(2)}_{n}$ ## Appendix C Second order behavior of schemes We demonstrate the results for the relative error in configurational temperature, for simulations of alanine dipeptide in a vacuum at fixed friction $\gamma=1.94/$fs. This is equivalent to plotting a horizontal cross- section of the results given in Figure 5, at the corresponding friction value. We find that in all but one scheme a clear second order trend is visible; the exception is BAOAB which has much higher accuracy than the other methods and for which a trend line could not be resolved; we conjecture that for BAOAB the order of accuracy of the configurational temperature is substantially higher than two (consistent with our observations for one degree-of-freedom anharmonic cases). ## Appendix D Solvated results The breakdown of computed average energies are given for each method. The black dashed line marks the baseline solution for comparison.
arxiv-papers
2013-04-11T12:23:34
2024-09-04T02:49:44.200828
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Benedict Leimkuhler and Charles Matthews", "submitter": "Charles Matthews", "url": "https://arxiv.org/abs/1304.3269" }
1304.3277
# Derivation of capture cross section from quasielastic excitation function V.V.Sargsyan1,2, G.G.Adamian1, N.V.Antonenko1, and P.R.S.Gomes3 1Joint Institute for Nuclear Research, 141980 Dubna, Russia 2International Center for Advanced Studies, Yerevan State University, 0025 Yerevan, Armenia 3Instituto de Fisica, Universidade Federal Fluminense, Av. Litorânea, s/n, Niterói, R.J. 24210-340, Brazil ###### Abstract The relationship between the quasielastic excitation function and the capture cross section is derived. The quasielastic data is shown to be a useful tool to extract the capture cross sections and the angular momenta of the captured systems for the reactions 16O+144,154Sm,208Pb, 20Ne+208Pb, and 32S+90,96Zr at near and above the Coulomb barrier energies. ###### pacs: 25.70.Jj, 24.10.-i, 24.60.-k Key words: capture cross section, quasielastic excitation function, cold fusion reactions ## I Introduction The partial capture cross section is one of the important ingredients to calculate and predict the production cross sections of exotic and superheavy nuclei in the cold, hot, and sub-barrier astrophysical fusion reactions. Therefore, more experimental and theoretical studies of the capture process are required. There is a relationship between the capture and the quasielastic scattering processes because of the conservation of the reaction flux PRSGomes1 ; PRSGomes3 . Any loss from the quasielastic channel directly contributes to the capture and vise versa. The quasielastic measurements are usually not as complex as the direct capture (fusion) measurements. Thus, the quasielastic data are suited for the extraction of the capture probabilities and of the capture cross sections. The paper is organized in the following way. In Sec. II we derive the formulas for the extraction of the capture cross section and of the angular momentum of the captured system by employing the experimental quasielastic excitation function. In Sec. III, using these formulas, we extract the capture cross sections and the angular momenta of the captured systems and compare with those of direct measurements. Using the available experimental quasielasic data, we predict the capture cross sections for the cold fusion reactions. In Sec. IV the paper is summarized. ## II Relationship between capture and quasielastic scattering The expression $P_{qe}(E_{\rm c.m.},J)+P_{cap}(E_{\rm c.m.},J)=1$ (1) connecting the quasielastic (reflection) $P_{qe}$ and the capture (transmission) $P_{cap}$ probabilities follows from the conservation of the reaction flux PRSGomes1 ; PRSGomes3 . Thus, one can extract the capture probability $P_{cap}(E_{\rm c.m.},J=0)$ at $J=0$ from the experimental quasielastic probability $P_{qe}(E_{\rm c.m.},J=0)$: $P_{cap}(E_{\rm c.m.},J=0)=1-P_{qe}(E_{\rm c.m.},J=0)=1-d\sigma_{qe}(E_{\rm c.m.})/d\sigma_{Ru}(E_{\rm c.m.}).$ (2) Here, the quasielastic probability PRSGomes1 ; Timmers ; Timmers2 ; Zhang $\displaystyle P_{qe}(E_{\rm c.m.},J=0)=d\sigma_{qe}/d\sigma_{Ru}$ (3) for angular momentum $J=0$ is given by the ratio of the quasielastic differential cross section and Rutherford differential cross section at 180 degrees. Further, one can approximate the $J$ dependence of the capture probability $P_{cap}(E_{\rm c.m.},J)$ at a given energy $E_{\rm c.m.}$ by shifting the energy Bala : $\displaystyle P_{cap}(E_{\rm c.m.},J)\approx P_{cap}(E_{\rm c.m.}-\frac{\hbar^{2}\Lambda}{2\mu R_{b}^{2}},J=0)=1-P_{qe}(E_{\rm c.m.}-\frac{\hbar^{2}\Lambda}{2\mu R_{b}^{2}},J=0),$ (4) where $\Lambda=J(J+1)$, $R_{b}=R_{b}(J=0)$ is the position of the Coulomb barrier at $J=0$. Then, we extract the capture cross section $\sigma_{cap}(E_{\rm c.m.})$ from the experimental quasielastic probabilities $P_{qe}$: $\displaystyle\sigma_{cap}(E_{\rm c.m.})=\sum_{J=0}^{J_{cr}}\sigma_{\rm cap}(E_{\rm c.m.},J)=\pi\lambdabar^{2}\sum_{J=0}^{J_{cr}}(2J+1)[1-P_{qe}(E_{\rm c.m.}-\frac{\hbar^{2}\Lambda}{2\mu R_{b}^{2}},J=0)],$ (5) where $\lambdabar^{2}=\hbar^{2}/(2\mu E_{\rm c.m.})$ is the reduced de Broglie wavelength, $\mu=m_{0}A_{1}A_{2}/(A_{1}+A_{2})$ is the reduced mass ($m_{0}$ is the nucleon mass), and at given bombarding energy $E_{\rm c.m.}$ the summation is over the possible values of angular momentum $J$ from $J=0$ to the critical angular momentum $J=J_{cr}$. For values $J$ greater than $J_{cr}$, the potential pocket in the nucleus-nucleus interaction potential vanishes and the capture is not occur. To calculate the critical angular momentum $J_{cr}$ and the position $R_{b}$ of the Coulomb barrier, we use the nucleus-nucleus interaction potential $V(R,J)$ of Ref. Pot . For the nuclear part of the nucleus-nucleus potential, the double-folding formalism with the Skyrme-type density-dependent effective nucleon-nucleon interaction is employed Pot . If one sets $R_{b}(J)\approx R_{b}$ in Eq. (5) for approximating the $J$-wave penetrability by the $s$-wave penetrability at a shifted energy, one obtains only the leading term in the series expansion in $\Lambda$. The next term in this expansion can be easily calculated in the same way as in Ref. Bala [$R_{b}(J)\approx R_{b}-\frac{\hbar^{2}\Lambda}{\mu\alpha R_{b}^{3}}$, $V_{b}(J)\approx V_{b}+\frac{\hbar^{2}\Lambda}{2\mu R_{b}^{2}}+\frac{\hbar^{4}\Lambda^{2}}{2\mu^{2}\alpha R_{b}^{6}}$, $\alpha=-\partial^{2}V(R,J=0)/\partial R^{2}|_{R=R_{b}}=\mu\omega_{b}^{2}$, $\omega_{b}=\omega_{b}(J=0)$ is the curvature of the $s$-wave potential barrier with the height $V_{b}=V_{b}(J=0)=V(R=R_{b},J=0)$]: $\displaystyle P_{cap}(E_{\rm c.m.},J)\approx P_{cap}(E_{\rm c.m.}-\frac{\hbar^{2}\Lambda}{2\mu R_{b}^{2}}-\frac{\hbar^{4}\Lambda^{2}}{2\mu^{2}\alpha R_{b}^{6}},J=0).$ (6) With this improved expression for the $P_{cap}$, we obtain $\displaystyle\sigma_{cap}(E_{\rm c.m.})=\pi\lambdabar^{2}\sum_{J=0}^{J_{cr}}(2J+1)[1-P_{qe}(E_{\rm c.m.}-\frac{\hbar^{2}\Lambda}{2\mu R_{b}^{2}},J=0)][1-\frac{2\hbar^{2}\Lambda}{\mu^{2}\omega_{b}^{2}R_{b}^{4}}].$ (7) Converting the sum over $J$ into an integral and changing variables to $E=E_{\rm c.m.}-\frac{\hbar^{2}\Lambda}{2\mu R_{b}^{2}}$ in Eq. (7), we obtain the following simple expression: $\displaystyle\sigma_{cap}(E_{\rm c.m.})=\frac{\pi R_{b}^{2}}{E_{\rm c.m.}}\int_{E_{\rm c.m.}-\frac{\hbar^{2}\Lambda_{cr}}{2\mu R_{b}^{2}}}^{E_{\rm c.m.}}dE[1-d\sigma_{qe}(E)/d\sigma_{Ru}(E)][1-\frac{4(E_{\rm c.m.}-E)}{\mu\omega_{b}^{2}R_{b}^{2}}],$ (8) which relates the capture cross section with quasielastic excitation function. Note that $\Lambda$ is not a small parameter, there is a natural cutoff $\Lambda_{cr}=J_{cr}(J_{cr}+1)$ in this parameter. Because of this cutoff, the second term $\frac{\hbar^{2}\Lambda}{2\mu R_{b}^{2}}$ in Eq. (6) is always larger than the third one $\frac{\hbar^{4}\Lambda^{2}}{2\mu^{2}\alpha R_{b}^{6}}$ Bala . By using the experimental quasielastic probabilities $P_{qe}(E_{\rm c.m.},J=0)$ and Eq. (8) one can obtain the capture cross sections. For the systems with $Z_{1}\times Z_{2}<2000$, the critical angular momentum $J_{cr}$ is large enough and Eqs. (7) and (8) can be approximated with a good accuracy as: $\displaystyle\sigma_{cap}(E_{\rm c.m.})\approx\pi\lambdabar^{2}\sum_{J=0}^{\infty}(2J+1)[1-P_{qe}(E_{\rm c.m.}-\frac{\hbar^{2}\Lambda}{2\mu R_{b}^{2}},J=0)][1-\frac{2\hbar^{2}\Lambda}{\mu^{2}\omega_{b}^{2}R_{b}^{4}}]$ (9) and $\displaystyle\sigma_{cap}(E_{\rm c.m.})\approx\frac{\pi R_{b}^{2}}{E_{\rm c.m.}}\int_{0}^{E_{\rm c.m.}}dE[1-d\sigma_{qe}(E)/d\sigma_{Ru}(E)][1-\frac{4(E_{\rm c.m.}-E)}{\mu\omega_{b}^{2}R_{b}^{2}}].$ (10) Following the procedure of Ref. Bala and using the extracted $\sigma_{cap}$ and the experimental $P_{qe}$, one can find the average angular momentum $\displaystyle<J>=\frac{\pi R_{b}^{2}}{E_{\rm c.m.}\sigma_{cap}(E_{\rm c.m.})}\int_{E_{\rm c.m.}-\frac{\hbar^{2}\Lambda_{cr}}{2\mu R_{b}^{2}}}^{E_{\rm c.m.}}$ $\displaystyle dE[1-d\sigma_{qe}(E)/d\sigma_{Ru}(E)][1-\frac{5(E_{\rm c.m.}-E)}{\mu\omega_{b}^{2}R_{b}^{2}}]$ (11) $\displaystyle\times[(\frac{2\mu R_{b}^{2}}{\hbar^{2}}(E_{\rm c.m.}-E)+\frac{1}{4})^{1/2}-\frac{1}{2}]$ and the second moment of the angular momentum $\displaystyle<J(J+1)>=\frac{2\pi\mu R_{b}^{4}}{\hbar^{2}E_{\rm c.m.}\sigma_{cap}(E_{\rm c.m.})}\int_{E_{\rm c.m.}-\frac{\hbar^{2}\Lambda_{cr}}{2\mu R_{b}^{2}}}^{E_{\rm c.m.}}$ $\displaystyle dE[1-d\sigma_{qe}(E)/d\sigma_{Ru}(E)][1-\frac{6(E_{\rm c.m.}-E)}{\mu\omega_{b}^{2}R_{b}^{2}}]$ (12) $\displaystyle\times[E_{\rm c.m.}-E]$ of the captured system. ## III Results of calculations For the verification of our method of the extraction of $\sigma_{cap}$, firstly we compare the extracted capture cross sections with experimental one. In Figs. 1 and 2 one can see a good agreement between the extracted and directly measured capture cross sections for the reactions 16O + 120Sn, 18O + 124Sn, 16O + 208Pb, and 16O + 144Sm at energies above the Coulomb barrier. The results on the sub-barrier energy region are discussed later on. To extract the capture cross section, we use both Eq. (8) (solid lines) and Eq. (10) (dotted lines). The used values of critical angular momentum are $J_{cr}$=54, 56, 57, and 62 for the reactions 16O + 120Sn, 18O + 124Sn, 16O + 144Sm, and 16O + 208Pb, respectively. The difference between the results of Eqs. (8) and (10) is less than 5$\%$ at the highest energies. At low energies, Eqs. (8) and (10) lead to the same values of $\sigma_{cap}$. The factor $1-\frac{4(E_{\rm c.m.}-E)}{\mu\omega_{b}^{2}R_{b}^{2}}$ in Eqs. (8) and (10) very weakly influences the results of the calculations for the systems and energies considered. Hence, one can say that for the relatively light systems the proposed method of extracting the capture cross section is model independent (particular, independent on the potential used). Figure 1: The extracted capture cross sections for the reactions 16O + 120Sn (a) and 18O + 124Sn (b) by employing Eq. (8) (solid line) and Eq. (10) (dotted line). These lines are almost coincide. The used experimental quasielastic data are from Ref. Sinha . The experimental capture (fusion) data (symbols) are from Refs. Sinha ; JACOBS . Figure 2: The same as in Fig. 1, but for the reactions 16O + 208Pb(a),144Sm(b). The used experimental quasielastic data are from Refs. Timmers2 ; Timmers . For the 16O + 208Pb reaction, the experimental capture (fusion) data are from Refs. Pbcap (open squares), Pbcap1 (open circles), Pbcap2 (closed stars), and Pbcap3 (closed triangles). For the 16O + 144Sm reaction, the experimental capture (fusion) data are from Refs. SmCap1 (closed squares) and SmCap2 (open squares). One can see that the used formulas are suitable not only for almost spherical nuclei (Figs. 1 and 2), but also for the reactions with strongly deformed target- or projectile-nucleus (Figs. 3 and 4). The deformation effect is effectively contained in the experimental $P_{qe}$. $J_{cr}=58$, 68, 74, and 76 for the reactions 16O+154Sm, 32S+90Zr, 32S+96Zr, and 20Ne+208Pb, respectively. The results obtained by employing the formula (10) are almost the same and not presented in Figs. 3 and 4. Figure 3: The same as in Fig. 1, but for the reactions 20Ne + 208Pb and 16O + 154Sm. The used experimental quasielastic data are from Refs. Piasecki ; Timmers . The experimental capture (fusion) data (symbols) are from Refs. SmCap2 ; Piasecki . For the 16O + 154Sm reaction, the dashed line is obtained from the shift of the solid line by 1.7 MeV higher energies. Figure 4: The same as in Fig. 1, but for the reactions 32S + 90Zr (a) and 32S + 96Zr (b). For the 32S+90Zr reaction, we show the extracted capture cross sections, increasing the experimental $P_{qe}$ by 1% (dashed line), 2% (dotted line), and 3% (dash-dotted line). The used experimental quasielastic data are from Ref. Zhang3 . The experimental capture (fusion) data (symbols) are from Ref. ZhangS32Zn9096 . For the 32S + 96Zr reaction, the energy scale for the extracted capture cross sections is adjusted to that of direct measurements. For the reactions 16O+154Sm and 32S+96Zr, the extracted capture cross sections are shifted in energy by 1.7 and 1.9 MeV, respectively, with respect to the measured capture data. This could be the result of different energy calibrations in the experiments on the capture measurement and on the quasielastic scattering. Because of the lack of systematics in these energy shifts, their origin remains unclear and we adjust the Coulomb barriers in the extracted capture cross sections to the values following the experiments. Note that the extracted and experimental capture cross sections deviate from each other in the reactions 16O+208Pb, 16O+144Sm, and 32S+90Zr at energies below the Coulomb barrier. Probably this deviation is a reason for the large discrepancies in the diffuseness parameter extracted from the analyses of the quasielastic scattering and fusion (capture) at deep sub-barrier energies. One of the possible reasons for the overestimation of the capture cross section from the quasielastic data at sub-barrier energies is the underestimation of the total reaction differential cross section taken as the Rutherford differential cross section. Indeed, for the 32S+90Zr reaction, the increase of $P_{qe}$ within 2–3% is in order to obtain the agreement between the extracted and measured capture cross sections at the sub-barrier energies [Fig. 4(a)]. One can use Eq. (8) and available experimental quasielasic data Ikezoe to predict the capture cross sections for the reactions 48Ti,54Cr,56Fe,64Ni,70Zn + 208Pb, using $J_{cr}=78$, 74, 58, 51, 31, respectively. The extracted capture cross sections $\sigma_{cap}(E_{\rm c.m.})$ as a function of $E_{\rm c.m.}$ are presented in Fig. 5 (a). Figure 5: (a) The extracted capture cross sections employing Eq. (8) (solid line) and Eq. (10) (dotted line) for the reactions 48Ti,54Cr,56Fe,64Ni,70Zn + 208Pb. The used experimental quasielastic data are from Ref. Ikezoe . (b) The extracted values of the maximal angular momenta vs. energy for the above mentioned reactions. The solid and dotted lines show the results of calculations of $J_{max}$ by using the extracted capture cross sections calculated with Eqs. (8) and (10), respectively. The formulas (8) and (10) give almost the same capture cross sections for reactions 48Ti,54Cr + 208Pb at energies under consideration. Thus, for these systems, the values of $J_{cr}$ are relatively large and the account of $J_{cr}$ does not affect the results. However, for heavier systems with smaller $J_{cr}$ (the smaller potential pockets in the nucleus-nucleus interaction potentials), the deviation between the results obtained with Eqs. (8) and (10) increases strongly with the factor $Z_{1}\times Z_{2}$. The $\sigma_{cap}$, calculated with the finite value of critical angular momentum, decreases with increasing Coulomb repulsion in the system. One can try to check experimentally these predictions of $\sigma_{cap}(E_{\rm c.m.})$ by the direct measurement of the capture cross sections. Note that the values of the extracted capture cross sections for the 48Ti + 208Pb system are close to those found in the experiments 50Ti + 208Pb Naik ; Clerc . However, for the 64Ni + 208Pb system, there are strong deviations in the energy between the extracted and experimental Bock capture cross sections. By using the extracted $\sigma_{cap}(E_{\rm c.m.})$ and the sharp-cutoff approximation, one can determine the maximal angular momentum $J_{max}$ in the captured system as a function of the bombarding energies: $\displaystyle J_{max}=[2\mu E_{\rm c.m.}\sigma_{cap}(E_{\rm c.m.})/(\pi\hbar^{2})]^{1/2}-1.$ (13) The extracted $J_{max}$ for the cold fusion reactions are shown in Fig. 5(b). For the system 70Zn + 208Pb, the small depth of the potential pocket in the nucleus-nucleus interaction potential leads to the decrease of $J_{max}$ by the factor about of 2.4 at highest energy considered (about of 17 MeV above the Coulomb barrier). In the reactions with weakly bound nuclei one can extract the capture cross section by employing the conservation of the reaction flux PRSGomes1 ; Nash ; Be9Pb ; Li6Pb $\displaystyle P_{cap}(E_{\rm c.m.},J=0)=1-[P_{qe}(E_{\rm c.m.},J=0)+P_{BU}(E_{\rm c.m.},J=0)]$ (14) and the measured probabilities of the quasielastic scattering ($P_{qe}(E_{\rm c.m.},J=0)=d\sigma_{qe}/d\sigma_{Ru}$) and of the breakup ($P_{BU}(E_{\rm c.m.},J=0)=d\sigma_{BU}/d\sigma_{Ru}$) which are defined as the differential cross sections ratios between quasielastic scattering, breakup reaction and the Rutherford scattering at backward angle. As seen in Fig. 6, the extracted capture cross sections $\sigma_{cap}(E_{\rm c.m.})$ (solid line) for the 6Li+208Pb reaction are rather close to those found in the direct measurements Li6Pbcap at energies above the Coulomb barrier. Figure 6: (Colour online) The extracted capture cross sections $\sigma_{cap}(E_{\rm c.m.})$ (solid line) and $\sigma^{noBU}_{cap}(E_{\rm c.m.})$ (dotted line) for the 6Li+208Pb reaction. The used experimental quasielastic and quasielastic plus breakup data are from Ref. Li6Pb . The experimental capture cross sections (solid squares) are from Refs. Li6Pbcap . The energy scale for the extracted capture cross sections is adjusted to that of direct measurements. It looks that at energies near and below the Coulomb barrier the extracted $\sigma_{cap}(E_{\rm c.m.})$ deviates from the direct measurements. It is similarly possible to calculate the capture excitation function $\displaystyle\sigma^{noBU}_{cap}(E_{\rm c.m.})=\frac{\pi R_{b}^{2}}{E_{\rm c.m.}}\int_{E_{\rm c.m.}-\frac{\hbar^{2}\Lambda_{cr}}{2\mu R_{b}^{2}}}^{E_{\rm c.m.}}dEP^{nBU}_{cap}(E,J=0)[1-\frac{4(E_{\rm c.m.}-E)}{\mu\omega_{b}^{2}R_{b}^{2}}]$ (15) in the absence of the breakup process (Fig. 6, dotted line) by using the following formula for the capture probability in this case Nash : $\displaystyle P^{nBU}_{cap}(E_{\rm c.m.},J=0)=1-\frac{P_{qe}(E_{\rm c.m.},J=0)}{1-P_{BU}(E_{\rm c.m.},J=0)}.$ (16) By employing the measured excitation functions $P_{qe}$ and $P_{BU}$ at backward angle Li6Pb , Eqs. (8), (15), and the formula $\displaystyle<P_{BU}>(E_{\rm c.m.})=1-\frac{\sigma_{cap}(E_{\rm c.m.})}{\sigma^{noBU}_{cap}(E_{\rm c.m.})},$ (17) we extract the mean breakup probability $<P_{BU}>(E_{\rm c.m.})$ averaged over all partial waves $J$ (Fig. 7). Figure 7: The extracted mean breakup probability $<P_{BU}>(E_{\rm c.m.})$ [Eq. (14)] as a function of bombarding energy $E_{\rm c.m.}$ for the 6Li+208Pb reaction. The used experimental quasielastic and quasielastic plus breakup data are from Ref. Li6Pb . The value of $<P_{BU}>$ has a maximum at $E_{\rm c.m.}-V_{b}\approx 4$ MeV ($<P_{BU}>$=0.26) and slightly (sharply) decreases with increasing (decreasing) $E_{\rm c.m.}$. The experimental breakup excitation function at backward angle has the similar energy behavior Li6Pb . By comparing the calculated capture cross sections in the absence of breakup and experimental capture (complete fusion) data, the opposite energy trend is found in Ref. Nash , where $<P_{BU}>$ has a minimum at $E_{\rm c.m.}-V_{b}\approx 2$ MeV ($<P_{BU}>$=0.34) and globally increases in both sides from this minimum. It is also shown in Refs. Nash ; PRSGomes4 that there are no systematic trends of breakup in the complete fusion reactions with the light projectiles 9Be, 6,7,9Li, and 6,8He at near-barrier energies. Thus, by employing the experimental quasielastic backscattering, one can obtain the additional information about the breakup process. Figure 8: The extracted $<J>$ and $<J^{2}>$ for the reactions 16O + 208Pb (a) and 16O + 154Sm (b) by employing Eqs. (11) and (12). The used experimental quasielastic data are from Ref. Timmers2 . The experimental data of $<J^{2}>$ and $<J>$ are from Refs. Vand (open squares) and Gil ; Vand2 (open squares and circles), respectively. Figure 9: The extracted $<J>$ for the reactions 32S + 96Zr (a) and 16O + 120Sn (b) by employing Eq. (11). The used experimental quasielastic data are from Refs. Zhang3 ; Sinha . By using the Eqs. (11) and (12) and experimental $P_{qe}$, we extract $<J>$ and $<J^{2}>$ of the captured system for the reactions 16O + 154Sm and 16O + 208Pb, respectively (Fig. 8). The agreements with the results of direct measurements of the $\gamma-$multiplicities in the corresponding complete fusion reactions are quite good. For the 16O + 208Pb reaction at sub-barrier energies, the difference between the extracted and experimental angular momenta is related with the deviation of the extracted capture excitation function from the experimental one (see Fig. 2). In Fig. 9 we present the predictions of $<J>$ for the reactions 16O + 120Sn and 32S + 96Zr. ## IV Summary We realized that the found relationship between the quasielastic excitation function and capture cross sections is working well, and the quasielastic technique could be an important and simple tool in the study of the capture (fusion) research, especially, in the cold and hot fusion reactions and in the breakup reactions at energies near and above the Coulomb barrier. Employing the quasielastic data, one can also extract the moments of the angular momentum of the captured system. We thank S. Heinz, S. Hofmann and H.Q. Zhang for fruitful discussions and suggestions. We are grateful to H. Ikezoe, C.J. Lin, E. Piasecki, and H.Q. Zhang for providing us their experimental data. This work was supported by DFG, NSFC, RFBR, and JINR grants. The IN2P3(France)-JINR(Dubna) and Polish - JINR(Dubna) Cooperation Programmes are gratefully acknowledged. 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arxiv-papers
2013-04-11T12:43:07
2024-09-04T02:49:44.212519
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "V.V.Sargsyan, G.G.Adamian, N.V.Antonenko, and P.R.S.Gomes", "submitter": "Vazgen Sargsyan Dr.", "url": "https://arxiv.org/abs/1304.3277" }
1304.3483
We give a new probabilistic algorithm for interpolating a “sparse” polynomial $f$ given by a straight-line program. Our algorithm constructs an approximation $f^*$ of $f$, such that $f-f^*$ probably has at most half the number of terms of $f$, then recurses on the difference $f-f^*$. Our approach builds on previous work by [Garg and Schost, 2009], and [Giesbrecht and Roche, 2011], and is asymptotically more efficient in terms of the total cost of the probes required than previous methods, in many cases. § INTRODUCTION We consider the problem of interpolating a sparse, univariate \[ f = c_1 z^{e_1} + c_2 z^{e_2} + \cdots + c_t z^{e_t} \in\R[z] \] of degree $d$ with $t$ non-zero coefficients $c_1,\ldots,c_t$ (where $t$ is called the sparsity of $f$) over a ring $\R$. More formally, we are given a straight-line program that evaluates $f$ at any point, as well as bounds $D \geq d$ and $T \geq t$. The straight-line program is a simple but useful abstraction of a computer program without branches, but our interpolation algorithm will work in more common settings of “black box” sampling of $f$. We summarize our final result as follows. Let $f \in \R[z]$, where $\R$ is any ring. Given any straight-line program of length $L$ that computes $f$, and bounds $T$ and $D$ for the sparsity and degree of $f$, one can find all coefficients and exponents of $f$ using $\softO(L T\log^3 D + LT\log D\log (1/\mu))$[4] ring operations in $\R$, plus a similar number of bit operations. The algorithm is probabilistic of the Monte Carlo type: it can generate random bits at unit cost and on any invocation returns the correct answer with probability greater than $1-\mu$, for a user-supplied tolerance $\mu>0$. [4]For summary convenience we use soft-Oh notation: for functions $\phi,\psi\in\RR_{>0}\to\RR_{>0}$ we say $\phi\in\softO(\psi)$ if and only if $\phi\in \O(\psi(\log\psi)^c)$ for some constant $c\geq 0$. §.§ The straight-line program model and interpolation Straight-line programs are a useful model of computation, both as a theoretical construct and from a more practical point of view; see, e.g., <cit.>. Our interpolation algorithms work more generally for $N$-variate sparse polynomials $f\in\R[z_1,\ldots,z_N]$ given by a straight-line program $\SLP_f$ defined as follows. $\SLP_f$ takes an input $(a_1, \dots, a_N) \in \R^N$ of length $N$, and produces a vector $b \in \R^L$ via a series of $L$ instructions $\Gamma_i : 1 \leq i \leq L$ of the form \[ \Gamma_i = \begin{cases} \gamma_i & \longleftarrow \alpha_1 \star \alpha_2, ~~\emph{or} \\ \gamma_i & \longleftarrow \delta \in \R ~~~~\emph{(i.e., a constant from $\R$)}, \end{cases} \] where $\star$ is a ring operation `$+$', `$-$', or `$\times$', and either $\alpha_\ell \in \{ a_j \}_{1 \leq j \leq n}$ or $\alpha_\ell \in \{ \gamma_k \}_{1 \leq k < i}$ for $\ell=1,2$. When we say $\SLP_f$ computes $f$, we mean $\SLP_f$ sets $\gamma_L$ to $f( a_1, \dots, a_N)\in\R$. To interpolate an $N$-variate polynomial $f\in\R[z_1,\ldots,z_N]$, we apply a Kronecker substitution, and interpolate \[ \fhat(z) = f\left(z, z^{(D+1)}, z^{(D+1)^2}, \dots, z^{(D+1)^{N-1}} \right)\in\R[z]. \] While this certainly increases the degree, $f$ and $\fhat$ have the same number of non-zero terms, and $f$ can be easily recovered from $\fhat$. This reduces the problem of interpolating the $N$-variate polynomial $f$ of partial degree at most $D$ to interpolating a univariate polynomial $\fhat$ of degree at most $(D+1)^N$. For the remainder of this paper we thus assume $f$ is univariate. It will also be necessary to evaluate our polynomial $f\in\R[z]$, or rather our straight-line program $\SLP_f$ for $f$, in an extension ring of $\R$. Precisely, we want to evaluate $f$ at symbolic $\ell$th roots of unity for various choices of $\ell$, or algebraically, in $\R[z]/(z^{\ell}-1)$. This may be regarded as transforming our straight-line program by substituting operations in $\R$ with operations in $\R[z]/(z^\ell-1)$, where each element is represented by a polynomial in $\R[z]$ of degree less than $\ell$. Each instruction $\Upsilon_i$ in the transformed branching program now potentially requires $\M( \ell)$ operations in $\R$, where $\M(\ell)$ is the number of operations in $\R$ and bit operations needed to multiply two degree-$\ell$ polynomials over the base ring $\R$. By [Cantor and Kaltofen, 1991], we may assume $\M(\ell) = \O(\ell \log \ell \log\log \ell)$. Each evaluation of our straight-line program for $f$ in $\R[z]/(z^\ell-1)$ is called a probe of degree $\ell$. Thus, the cost of a degree-$\ell$ probe to $\SLP_f$ is $\softO( L \ell )$ operations in $\R$, and similarly many bit operations. This is easily connected to the more “classical” view of sparse interpolation, in which probes are simply evaluations of a “black-box” polynomial at a single point (and we do not have any representation for how $f$ is calculated). Each probe in the straight-line program model can be thought of as evaluating $f$ at all $\ell$th roots of unity in the classical model. Since we charge $\M(\ell)=\softO(\ell)$ operations in $\R$ for a degree $\ell$ probe in the straight-line program model, i.e., about $\ell$ times as much as a single black-box probe, this is consistent with the costs in a classical model. We note that algorithms for sparse interpolation presented below could be stated in this classical model, though we find the straight-line program model convenient and will continue with it throughout this paper. §.§ Previous work Straight-line programs, or equivalently algebraic circuits, are important both as a computational model and as a data structure for polynomial computation. Their rich history includes both algorithmic advances and practical implementations [Kaltofen, 1989, Sturtivant and Zhang, 1990, Bruno et al., 2002]. One can naively interpolate a polynomial $f\in\R[z]$ given by a straight-line using a dense method, with $D$ probes of degree $1$. Prony's [de Prony, 1795] interpolation algorithm — see [Ben-Or and Tiwari, 1988, Kaltofen et al., 1990, Giesbrecht et al., 2009] — is a sparse interpolation method that uses evaluations at only $2T$ powers of a root of unity whose order is greater than $D$. However, in the straight-line program model for a general ring, this would require evaluating at a symbolic $D$th root of unity, which would use at least $\Omega(D)$ ring operations and defeat the benefit of sparsity. Problems with Prony's algorithm are also seen in the classical model in that the underlying base ring $\R$ must also support an efficient discrete logarithm algorithm on entries of high multiplicative order (which, for example, is not feasible over large finite fields). We mention two algorithms specifically intended for straight-line §.§.§ The Garg-Schost deterministic algorithm. [Garg and Schost, 2009] describe a novel deterministic algorithm for interpolating a multivariate polynomial $f$ given by a straight-line program. Their algorithm entails constructing an integer symmetric polynomial with roots at the exponents of $f$: \[ \chi = \prod_{i=1}^{t}(y-e_i) \in\ZZ[y], \] which is then factored to obtain the exponents $e_i$. Their algorithm first finds a good prime: a prime $p$ for which the terms of $f$ remain distinct when reduced modulo $z^p-1$. We call such an image $f \bmod (z^p-1)$ a good image. Such an image gives us the values $e_i \bmod p$ and hence $\chi(y) \bmod p$. For $f = z^{33}+z^3$, $5$ is not a good prime because $f \bmod (z^5-1) = 2z^3$. We say $z^{33}$ and $z^{3}$ collide modulo $z^5-1$. $7$ is a good prime, as the image $f(z) \bmod (z^7-1) = z^5+z^3$ has as many terms as $f(z)$ does. In order to guarantee that we have a good prime, the algorithm requires that we construct the images $f \bmod (z^p-1)$ for the first $N$ primes, where $N$ is roughly $\softO( T^2\log D)$. A good prime will be a prime $p$ for which the image $f \bmod (z^p-1)$ has maximally many terms, which will be exactly $t$. Once we know we have a good image we can discard the images $f \bmod (z^q-1)$ for bad primes $q$, i.e. images with fewer than $t$ terms. We use the remaining images to construct $\chi(y) = \prod_{i=1}^{t}(y-e_i) \in \mathbb{Z}[y]$ by way of Chinese remaindering on the images $\chi(y) \bmod p$. We factor $\chi(y)$ to obtain the exponents $e_i$, after which we directly obtain the corresponding coefficients $c_i$ directly from a good image. The algorithm of [Garg and Schost, 2009] can be made faster, albeit Monte Carlo, using the following number-theoretic fact. [Giesbrecht and Roche, 2011] Let $f \in \mathcal{R}[z]$ be a polynomial with at most $T$ terms and degree at most $D$. Let $\lambda = \max(21, \lceil \tfrac{5}{3}T(T-1)\log D \rceil )$. A prime $p$ chosen at random in the range $[ \lambda, 2\lambda]$ is a good prime for $f(z)$ with probability at least $\tfrac{1}{2}$. Thus, in order to find a good image with probability at least $1-\varepsilon$, we can inspect images $f \bmod (z^p-1)$ for $\lceil \log 1/ \varepsilon \rceil$ primes $p$ chosen at random in $[ \lambda, 2\lambda ]$. As the height of $\chi(y)$ can be roughly as large as $D^T$, we still require some $\mathcal{O}^{\sim}(T \log D)$ probes to construct $\chi(y)$. §.§.§ The “diversified” interpolation algorithm. [Giesbrecht and Roche, 2011] obtain better performance by way of diversification. A polynomial $f$ is said to be diverse if its coefficients $c_i$ are pairwise distinct. The authors show that, for $f$ over a finite field or $\CC$ and for appropriate random choices of $\alpha$, $f(\alpha z)$ is diverse with probability at least $\tfrac{1}{2}$. They then try to interpolate the diversified polynomial $f(\alpha z)$. Once we have $t$ with high probability, we look at images $f(\alpha z) \bmod (z^p-1)$ for primes $p$ in $[\lambda, 2\lambda]$, discarding bad images. As $f(\alpha z)$ is diverse, we can recognize which terms in different good images are images of the same term. Thus, as all the $e_i$ are at most $D$, we can get all the exponents $e_i$ by looking at some $\softO(\log D)$ good images of $f$. §.§ Deterministic zero testing Both the Monte Carlo algorithms of [Garg and Schost, 2009] and [Giesbrecht and Roche, 2011] can be made Las Vegas (i.e., no possibility of erroneous output, but unbounded worst-case running time) by way of deterministic zero-testing. Given a polynomial $f$ represented by a straight-line program, each of these algorithms produces a polynomial $f^*$ that is probably $f$. [[Bläser et al., 2009]; Lemma 13] Let $\R$ be an integral domain, and suppose $f = f^* \bmod (z^p-1)$ for $T\log D$ primes. Then $f = f^*$. Thus, testing the correctness of the output of a Monte Carlo algorithm requires some $\softO( T\log D )$ probes of degree at most $\softO(T\log D)$. This cost does not dominate the cost of either Monte Carlo algorithm. We note that this deterministic zero test can dominate the cost of the interpolation algorithm presented in this paper if $T$ is asymptotically dominated by $\log D$. §.§ Summary of results We state as a theorem the number and degree of probes required by our new algorithm presented in this paper. Let $f \in \R[z]$, where $\R$ is a ring. Given a straight-line program for $f$, one can find all coefficients and exponents of $f$ with probability at least $1-\mu$ using $\softO\left( \log T(\log D + \log \tfrac{1}{\mu}) \right)$ probes of degree at most $\O( T \log^2 D )$. A “soft-Oh” comparison of interpolation algorithms for straight-line programs Probes Probe degree Cost of probes Type Dense $D$ $1$ $LD$ deterministic Garg & Schost $T^2\log D$ $T^2\log D$ $LT^3\log^2 D$ deterministic *Las Vegas G & S $T\log D$ $T^2\log D$ $LT^3\log^2 D$ Las Vegas *Diversified $\log D$ $T^2\log D$ $LT^2\log^2 D$ Las Vegas $\dagger$Recursive $\log T\log D$ $T \log^2 D$ $LT\log^3 D$ Monte Carlo 5l 0pt12pt*Average # of probes given; $\dagger$ for a fixed probability of failure $\mu$ Table <ref> gives a rough comparison of known algorithms. Our recursive algorithm improves by a factor of $T/\log D$ over the Giesbrecht-Roche diversification algorithm — ignoring “soft” multiplicative factors of $(\log(T/\log D))^{O(1)}$ — and as such is better suited for moderate values of $T$. Our algorithm recursively interpolates a series of polynomials of decreasing sparsity. An advantage of this method is that, when we cross a threshold where $\log D$ begins to dominate $T$, we can merely call the Monte Carlo diversification algorithm instead. § A RECURSIVE ALGORITHM FOR INTERPOLATING $F$ Entering each recursive step in our algorithm we have our polynomial $f$ represented by a straight-line program, and an explicit sparse polynomial $f^*$ “approximating” $f$, that is, whose terms mostly appear in the sparse representation of $f$. At each recursive step we try to interpolate the difference $g=f-f^*$. To begin with, $f^*$ is initialized to zero. We first find an “ok” prime $p$ which separates most of the terms of $g$. We then use that prime $p$ to build a approximation $f^{**}$, containing most of the terms of $g$, plus possibly some additional “deceptive” terms. The polynomial $f^{**}$ is constructed such that $g=f-f^*$ has, with high probability, at most $T/2$ terms. We then recursively interpolate the difference $g-f^{**}$. Producing images $f^* \bmod (z^\ell-1)$ is straightforward, we merely reduce the exponents of terms of $f^*$ modulo $\ell$. We assume $g$ has a sparsity bound $T_g \leq T$. §.§ A weaker notion of “good" primes To interpolate a polynomial $g$, the sparse interpolation algorithm described by [Giesbrecht and Roche, 2011] requires a good prime $p$ which keeps the exponents of $g$ distinct modulo $p$. That is, $g \bmod (z^p-1)$ has the same number of terms as $g$. We define a weaker notion of a good prime, an ok prime, which separates most of the terms of $g$. To that end we measure, for fixed $g$ and prime $p$, how well $p$ separates the terms of $g$. Fix a polynomial $g = \sum_{i=1}^t c_iz^{e_i}\in\R[z]$ with non-zero $c_1,\ldots,c_t\in\R$, where $e_i < e_j$ for $i<j$, we say $c_iz^{e_i}$ and $c_jz^{e_j}$, $i \neq j$, collide modulo $z^p-1$ if $e_i\equiv e_j \bmod p$. We call any term $c_iz^{e_i}$ of $f$ which collides with any other term of $f$ a colliding term of $f$ $z^p-1$. We let $\COL{p} \in [0, t]$ denote the number of colliding terms of $g$ modulo $z^p-1$. For the polynomial $g= 1+z^5+z^7+z^{10}$, $\COL{2} = 4$, since $1$ collides with $z^{10}$ and $z^5$ collides with $z^7$ modulo $z^2-1$. Similarly, $\COL{5} = 2$, since $z^5$ collides with $z^{10}$ modulo We say $c_iz^{e_i}$ and $c_jz^{e_j}$ collide modulo $z^p-1$ because both terms have the same exponent once reduced modulo $z^p-1$. All other terms of $g$ we will call non-colliding terms modulo In the sparse interpolation algorithm of [Giesbrecht and Roche, 2011], one chooses a $\lambda \in \mathbb{Z}_{>0}$ such that the probability of a prime $p \in [ \lambda, 2\lambda ]$, chosen at random and having $\COL{p}=0$, is at least $\tfrac{1}{2}$. However, in order to guarantee that we find such a prime with high probability, we need to choose $\lambda \in \O( T^2\log D)$. In this paper we will search over a range of smaller primes, while allowing for a reasonable number of collisions. We try to pick $\lambda$ such that \begin{equation*} \Pr\left( \COL{p} \geq \gamma \text{ for a random prime } p \in [\lambda, 2\lambda] \right) < 1/2, \end{equation*} for a parameter $\gamma$ to be determined. Let $g \in \R[z]$ be a polynomial with $t \leq T$ terms and degree at most $d \leq D$. Suppose we are given $T$ and $D$, and let $\lambda = \max\left(21, \left\lceil \tfrac{10T(T-1)\ln(D)}{3 \gamma}\right\rceil\right)$. Let $p$ be a prime chosen at random in the range $\lambda, \dots, 2\lambda$. Then $\COL{p} \geq \gamma$ with probability less than $\tfrac{1}{2}$. The proof follows similarly to the proof of Lemma 2.1 in [Giesbrecht and Roche, 2011]. Let $B$ be the set of unfavourable primes for which $\COL{p} \geq \gamma$ terms collide modulo $z^p-1$, and denote the size of $B$ by $\#B$. As every colliding term collides with at least one other term modulo $z^p-1$, we know $p^{\COL{p}}$ divides $\prod_{1 \leq i \neq j \leq t}(e_i - e_j)$. Thus, as $\COL{p} \geq \gamma$ for $p \in B$, \[ \lambda^{\#B \gamma} \leq \prod_{p \in B}p^\gamma \leq \prod_{1 \leq i \neq j < t}(e_i - e_j) \leq d^{t(t-1)} \leq D^{T(T-1)}. \] Solving the inequality for $\#B$ gives us \[ \#B \leq \frac{ T(T-1)\ln(D) }{ \ln( \lambda )\gamma}. \] The total number of primes in $[ \lambda, 2\lambda]$ is greater than $3\lambda/(5\ln(\lambda))$ for $\lambda \geq 21$ by Corollary 3 to Theorem 2 of [Rosser and Schoenfeld, 1962]. From our definition of $\lambda$ we have \[ \frac{3\lambda}{5\ln(\lambda)} > \frac{2T(T-1)\ln(D)}{\ln(\lambda)\gamma} \geq 2\# B, \] completing the proof. §.§.§ Relating the sparsity of $g \bmod (z^p-1)$ with Suppose we choose $\lambda$ according to Lemma <ref>, and make $k$ probes to compute $g \bmod (z^{p_1}-1), \dots, g \bmod (z^{p_k}-1)$. One of the primes $p_i$ will yield an image with fewer than $\gamma$ colliding terms (i.e. $\COL{p_i} < \gamma$) with probability at least $1-2^{-k}$. Unfortunately, we do not know which prime $p$ maximizes $\COL{p}$. A good heuristic might be to select the prime $p$ for which $g \bmod (z^{p}-1)$ has maximally many terms. However, this does not necessarily minimize $\COL{p}$. Consider the following example. \begin{equation*} g = 1 + z + z^4 - 2z^{13}. \end{equation*} We have \[ g \bmod (z^2-1) = 2 - z, ~~\mbox{and}~~~ g \bmod (z^3-1) = 1. \] While $g \bmod (z^2-1)$ has more terms than $g \bmod (z^3-1)$, we see that $\COL{2} = 4$ is larger than $\COL{3} = 3$. While we cannot determine the prime $p$ for which $g \bmod (z^p-1)$ has maximally many non-colliding terms, we show that choosing the prime $p$ which maximizes the number of terms in $g \bmod (z^p-1)$ is, in fact, a reasonable strategy. We would like to find a precise relationship between $\COL{p}$, the number of terms of $g$ that collide in the image $g \bmod (z^p-1)$, and the sparsity $s$ of $g \bmod (z^p-1)$. Suppose that $g$ has $t$ terms, and $g \bmod (z^p-1)$ has $s \leq t$ terms. Then $t-s \leq \COL{p} \leq 2(t-s)$. To prove the lower bound, note that $t-\COL{p}$ terms of $g$ will not collide modulo $z^p-1$, and so $g \bmod (z^p-1)$ has sparsity $s$ at least $t-\COL{p}$. We now prove the upper bound. Towards a contradiction, suppose that $\COL{p} > 2(t-s)$. There are $\COL{p}$ terms of $g$ that collide modulo $z^p-1$. Let $h$ be the $\COL{p}$-sparse polynomial comprised of those terms of $g$. As each term of $h$ collides with at least one other term of $h$, $h \bmod (z^p-1)$ has sparsity at most $\COL{p}/2$. Since none of the terms of $g-h$ collide modulo $z^p-1$, $(g-h) \bmod (z^p-1)$ has sparsity exactly $t-\COL{p}$. It follows that $g \bmod (z^p-1)$ has sparsity at most $t-\COL{p}+\COL{p}/2=t-\COL{p}/2$. That is, $s \leq t-\COL{p}/2$, and so $\COL{p} \leq 2(t-s)$. Suppose $g$ has sparsity $t$, $g \bmod (z^q-1)$ has sparsity $s_q$, and $g \bmod (z^p-1)$ has sparsity $s_p \geq s_q$. Then $\COL{p} \leq 2\COL{q}$. \[ \begin{array}{rll} \COL{p} & \leq 2(t-s_p)~~ & \emph{by the second inequality of Lemma \ref{lem:chooseMostTerms},} \\ & \leq 2(t-s_q) & \emph{since $s_p \geq s_q$,} \\ & \leq 2\COL{q} & \emph{by the first inequality of Lemma %\ref{lem:chooseMostTerms}.} \hbox to 0pt{\hspace*{10pt}\qed} \ref{lem:chooseMostTerms}.} \hspace*{20pt}\qed \end{array} \] Suppose then that we have computed $g \bmod (z^p-1)$, for $p$ belonging to some set of primes $S$, and the minimum value of $\COL{p}$, $p \in S$, is less than $\gamma$. Then a prime $p^* \in S$ for which $g \bmod (z^{p^*}-1)$ has maximally many terms satisfies $\COL{p^*} < 2\gamma$. We will call such a prime $p^*$ an ok We then choose $\gamma = wT$ for an appropriate proportion $w \in (0,1)$. We show that setting $w = 3/16$ allows that each recursive call reduces the sparsity of the subsequent polynomial by at least half. This would make $\lambda = \lceil \tfrac{10}{3w}(T-1)\ln(D) \rceil = \lceil \tfrac{160}{9}(T-1)\ln(D) \rceil$. As per Lemma <ref>, in order to guarantee with probability $1-\varepsilon$ that we have come across a prime $p$ such that $\COL{p} \leq \gamma$, we will need to perform $\lceil \log 1/\varepsilon \rceil$ probes of degree $\mathcal{O}(T\log D)$. Procedure <ref> summarizes how we find an ok FindOkPrime($\SLP_f, f^*, T_g, D, \varepsilon$) * $\SLP_f$, a straight-line program that computes a polynomial $f$ * $f^*$, a current approximation to $f$ * $T_g$ and $D$, bounds on the sparsity and degree of $g=f-f^*$ * $\varepsilon$, a bound on the probability of failure With probability at least $1-\varepsilon$, we return an “ok prime” for $g=f-f^*$ $\lambda \longleftarrow \max\left( 21, \left\lceil \tfrac{160}{9}(T_g-1)\ln D \right\rceil\right)$ $\left({\tt max\_sparsity}, p\right) \longleftarrow (0,0)$ $i \longleftarrow 1$ $\lceil \log 1/\varepsilon \rceil$ $p' \longleftarrow $ a random prime in $[ \lambda, 2\lambda]$ # of terms of $(f - f^*) \bmod (z^{p'}-1) \geq {\tt max\_sparsity}$ ${\tt max\_sparsity} \longleftarrow $ # of terms of $(f - f^*) \bmod $p \longleftarrow p'$ A practical application would probably choose random primes by selecting random integer values in $[\lambda, 2\lambda]$ and then applying probabilistic primality testing. In order to ensure deterministic worst-case run-time, we could pick random primes in the range $[\lambda, 2\lambda]$ by using a sieve method to pre-compute all the primes up to $2\lambda$. §.§ Generating an approximation $f^{**}$ of We suppose now that we have, with probability at least $1 - \varepsilon$, an ok prime $p$; i.e., a prime $p$ such that $\COL{p} \leq 2wT$ for a suitable proportion $w$. We now use this ok prime $p$ to construct a polynomial $f^{**}$ containing most of the terms of $g=f-f^*$. For a set of coprime moduli $\mathcal{Q} = \{q_1, \dots, q_k\}$ satisfying $\prod_{i=1}^k q_i > D$, we will compute $g \bmod (z^{pq_i}-1)$ for $1 \leq i \leq k$. Here we make no requirement that the $q_i$ be prime. We merely require that the $q_i$ are pairwise We choose the $q_i$ as follows: denoting the $i\th$ prime by $p_i$, we set $q_i = p_i^{\lfloor \log_{p_i} x \rfloor}$, for an appropriate choice of $x$. That is, we let $q_i$ be the greatest power of the $i\th$ prime that is no more than $x$. For $p_i \leq x$, we have $q_i \geq x/p_i$ and $q_i \geq p_i$. Either $x/p_i$ or $p_i$ is at least $\sqrt{x}$, and so $q_i\ge \sqrt{x}$ as well. By Corollary 1 of Theorem 2 in [Rosser and Schoenfeld, 1962], there are more than $x/\ln x$ primes less than or equal to $x$ for $x \geq 17$. Therefore \begin{equation*} \prod_{p_i \leq x}q_i \geq \left(\sqrt{x}\right)^{x/\ln x}. \end{equation*} As we want this product to exceed $D$, it suffices that \begin{align*} \ln D &< \ln\left( \left(\sqrt{x}\right) ^{x/\ln x}\right) = x/2. \end{align*} Thus, if we choose $x \geq \max( 2\ln(D), 17)$ and $k = \lceil x/\ln x \rceil$, then $\prod_{i=1}^k q_i$ will exceed $D$. This means $q_i \in \O(\log D)$ and $pq_i \in \O( T\log^2 D)$. The number of probes in this step is $k \in \O( \log(D)/\log\log(D))$. Since we will use the same set of moduli $\mathcal{Q} = \{q_1, \dots, q_k\}$ in every recursive call, we can pre-compute $\mathcal{Q}$ prior to the first recursive call. We now describe how to use the images $g \bmod (z^{pq_i}-1)$ to construct a polynomial $f^{**}$ such that $g-f^{**}$ is at most If $cz^e$ is a term of $g$ that does not collide with any other terms modulo $z^p-1$, then it certainly will not collide with other terms modulo $z^{pq}-1$ for any natural number $q$. Similarly, if $c^*z^{{e^*} \bmod p}$ appears in $g \bmod (z^p-1)$ and there exists a unique term $c^*z^{{e^*} \bmod pq_i}$ appearing in $g \bmod (z^{pq_i}-1)$ for $i=1, 2, \dots, k$, then $c^*z^{e^*}$ is potentially a term of $g$. Note that $c^*z^{e^*}$ is not necessarily a term of $g$: consider the following example. \begin{equation*} g(z) = 1+z+z^2+z^3 + z^{11+4} - z^{14\cdot 11+4} - z^{15\cdot 11 + 4}, \end{equation*} with hard sparsity bound $T_g=7$ and degree bound $D=170$ and let $p=11$. We have \begin{equation*} g(z) \bmod (z^{11}-1) = 1+z+z^2+z^3-z^4. \end{equation*} As $\deg(g)=170<2\cdot 3\cdot 5\cdot 7=210$, it suffices to make the probes $g \bmod z^{11q}-1$ for $q=2,3,5,7$. Probing our remainder black-box polynomial, we have \begin{align*} g \bmod (z^{22}-1) &= 1+z+z^2+z^3-z^{15},\\ g \bmod (z^{33}-1) &= 1+z+z^2+z^3-z^{26},\\ g \bmod (z^{55}-1) &= 1+z+z^2+z^3-z^{48},\\ g \bmod (z^{77}-1) &= 1+z+z^2+z^3-z^{15}. \end{align*} In each of the images $g \bmod z^{pq}-1$, there is a unique term whose degree is congruent to one of $e=0,1,2,3,4$ modulo $p$. Four of these terms correspond to the terms $1,z,z^2,z^3$ appearing in $g$. Whereas the remaining term has degree $e$ satisfying $e = 1 \bmod 2$, $e = 2 \bmod 3$, $e = 3 \bmod 5$, and $e = 1 \bmod 7$. By Chinese remaindering on the exponents, this gives a term $-z^{113}$ not appearing in $g$. ConstructApproximation($\SLP_f, f^*, D, p, \mathcal{Q}$) * $\SLP_f$, a straight-line program that computes a polynomial * $f^*$, a current approximation to $f$ * $D$ a bound on the degree of $g=f-f^*$ * $p$, an ok prime for $g$ (with high probability) * $\mathcal{Q}$, a set of co-prime moduli whose product exceeds $D$ A polynomial $f^{**}$ such that, if $p$ is an ok prime, $g-f^{**}$ has sparsity at most $\lfloor T_g/2 \rfloor$, where $g$ has at most $T_g$ terms. Collect images of $g$ $\mathcal{E} \longleftarrow $ set of exponents of terms in $(f-f^*) \bmod (z^p-1)$ $q \in \mathcal{Q}$ $h \longleftarrow (f-f^*) \bmod (z^{pq}-1)$ each term $cz^e$ in $h$ $E_{(e \bmod p), q}$ is already initialized $\mathcal{E} \longleftarrow \mathcal{E}/\{e \bmod p\}$ $E_{(e \bmod p), q} \longleftarrow e \bmod q$ Construct terms of new approximation of $g$, $f^{**}$ $f^{**} \longleftarrow 0$ $e_p \in \mathcal{E}$ $e \longleftarrow $ least nonnegative solution to $\{e = E_{e_p, q} \bmod q $ $|$ $q \in \mathcal{Q}\}$ $c \longleftarrow $ coefficient of $z^{e_p}$ term in $(f-f^*) \bmod (z^p-1)$ $e \leq D$ $f^{**} \longleftarrow f^{**} + cz^e$ Let $c^*z^{e^*}$, $e^* \leq D$ be a monomial such that $c^*z^{e^* \bmod p}$ appears in $g \bmod z^p-1$, and $c^*z^{e^* \bmod pq_i}$ is the unique term of degree congruent to $e^*$ modulo $p$ appearing in $g \bmod (z^{pq_i}-1)$ for each modulus $q_i$. If $c^*z^{e^*}$ is not a term of $g$ we call it a deceptive term. Fortunately, we can detect a collision comprised of only two terms. Namely, if $c_1z^{e_1} + c_2z^{e_2}$ collide, there will exist a $q_i$ such that $q_i \nmid (e_1-e_2)$. That is, $g \bmod (z^{pq_i}-1)$ will have two terms whose degree is congruent to $e_1 \bmod p$. Once we observe that, we know the term $(c_1+c_2)z^{e_1 \bmod p}$ appearing in $g \bmod (z^p-1)$ was not a distinct term, and we can ignore exponents of the congruence class $e_1 \bmod p$ in subsequent images $g \bmod Thus, supposing $g \bmod (z^p-1)$ has at most $2\gamma$ colliding terms and at least $t-2\gamma$ non-colliding terms, $f^{**}$ will have the $t-2\gamma$ non-colliding terms of $g$, plus potentially an additional $\tfrac{2}{3}\gamma$ deceptive terms produced by the colliding terms of $g$. In any case, $g-f^{**}$ has sparsity at most $\tfrac{8}{3}\gamma$. Choosing $\gamma = \tfrac{3}{16}T_g$ guarantees that $g-f^{**}$ has sparsity at most $T_g/2$. This would make $\lambda = \lceil \tfrac{160}{9}(T_g-1)\ln(D) \rceil$. Procedure <ref> gives a pseudocode description of how we construct $f^{**}$. If we find a prospective term in our new approximation $f^{**}$ has degree greater than $D$, then we know that term must have been a deceptive term and discard it. There are other obvious things we can do to recognize deceptive terms which we exclude here. For instance, we should check that all terms from images modulo $z^{pq}-1$ whose degrees agree modulo $p$ share the same coefficient. §.§ Recursively interpolating $f-f^*$ Interpolate($\SLP_f, T, D, \mu$) * $\SLP_f$, a straight-line program that computes a polynomial $f$ * $T$ and $D$, bounds on the sparsity and degree of $f$, respectively * $\mu$, an upper bound on the probability of failure With probability at least $1-\mu$, we return $f$ $x \longleftarrow \max( 2\ln(D), 17)$ $\mathcal{Q} \longleftarrow \{ p^{\lfloor \log_p x \rfloor} : p \text{ is prime}, p \leq x \}$ <ref>$(\SLP_f, 0, T, D, \mathcal{Q}, \mu/(\log T + 1) )$ InterpolateRecurse($\SLP_f, f^*, T_g, D, \mathcal{Q}, \varepsilon$ ) * $\SLP_f$, a straight-line program that computes a polynomial $f$ * $f^*$, a current approximation to $f$ * $T_g$ and $D$, bounds on the sparsity and degree of $g=f-f^*$, respectively * $\mathcal{Q}$, a set of coprime moduli whose product is at least $D$ * $\varepsilon$, a bound on the probability of failure at one recursive step With probability at least $1 -\mu$, the algorithm outputs $f$ $T_g = 0$ $f^*$ $p \longleftarrow {\tt\ref{proc:FindOkPrime}}(\SLP_f, f^*, T_g, D, \varepsilon)$ $f^{**} \longleftarrow {\tt\ref{proc:ConstructApproximation}}(\SLP_f, f^*, D, p, \mathcal{Q})$ <ref>$(\SLP_f, f^*+f^{**}, \lfloor T_g/2 \rfloor, D, \mathcal{Q}, \varepsilon ) $ Once we have constructed $f^{**}$, we refine our approximation $f^*$ by adding $f^{**}$ to it, giving us a new difference $g=f-f^*$ containing at most half the terms of the previous polynomial $g$. We recursively interpolate our new polynomial $g$. With an updated sparsity bound $\lfloor T_g/2 \rfloor$, we update the values of $\gamma$ and $\lambda$ and perform the steps of Sections <ref> and <ref>. We recurse in this fashion $\log T$ times. Thus, the total number of probes becomes \[ \O\left( \log T ( \tfrac{\log D}{\log\log D} + \log(1/\varepsilon)) \right), \] of degree at most $\O( T\log^2 D)$. Note now that in order for this method to work we need that, at every recursive call, we in fact get a good prime, otherwise our sparsity bound on the subsequent difference of polynomials could be incorrect. At every stage we succeed with probability $1-\varepsilon$, thus the probability of failure is $1-(1-\varepsilon)^{\lceil \log T \rceil}$. This is less than $\lceil \log T \rceil \varepsilon$. If we want to succeed with probability $\mu$, then we can choose $\varepsilon = \tfrac{ \mu }{ \log T + 1} \in \O( \tfrac{ \mu }{ \log T <ref> pre-computes our set of moduli $\mathcal{Q}$, then makes the first recursive call to <ref>, which subsequently calls itself. §.§ A cost analysis We analyse the cost of our algorithm, thereby proving Theorems <ref> and <ref>. §.§.§ Pre-computation. Using the wheel sieve [Pritchard, 1982], we can compute the set of primes up to $x \in \O( \log D)$ in $\softO( \log D )$ bit operations. From this set of primes we obtain $\Q$ by computing $p^{\lfloor \log_p x \rfloor}$ for $p \leq \sqrt{x}$ by way of squaring-and-multiplying. For each such prime, this costs $\softO( \log x )$ bit operations, so the total cost of computing $\Q$ is $\softO( \log D)$. §.§.§ Finding ok primes. In one recursive call, we will look at some $\log 1/\varepsilon = \O(\log 1/\mu \log\log T)$ primes in the range $[ \lambda, 2\lambda]$ in order to find an ok prime. Any practical implementation would select such primes by using probabilistic primality testing on random integer values in the range $[ \lambda, 2\lambda]$; however, the probabilistic analysis of such an approach, in the context of our interpolation algorithm, becomes somewhat ungainly. We merely note here that we could instead pre-compute primes up to our initial value of $\lambda \in \O(T\log D)$ in $\softO( T\log D)$ bit operations by way of the wheel sieve. Each prime $p$ is of order $T\log D$, and so, per our discussion in Section <ref>, each probe costs $\softO(LT\log D)$ ring operations and similarly many bit operations. Considering the $\O(\log T)$ recursive calls, this totals $\softO( LT\log D\log 1/\mu )$ ring and bit operations. §.§.§ Constructing the new approximation $f^{**}$. Constructing $f^{**}$ requires $\softO( \log D )$ probes of degree $\softO( T\log^2 D )$. This costs $\softO( LT \log^3 D)$ ring and bit operations. Performing these probes at each $\O( \log T)$ recursive call introduces an additional factor of $\log T$, which does not affect the “soft-Oh” complexity. This step dominates the cost of the Building a term $cz^e$ of $f^{**}$ amounts to solving a set of congruences. By Theorem 5.8 of [Gathen and Gerhard, 2003], this requires some $\O( \log^2 D )$ word operations. Thus the total cost of Chinese remaindering to construct $f^{**}$ becomes $\O( T\log^2 D)$. Again, the additional $\log T$ factor due to the recursive calls does not affect the stated complexity. § CONCLUSIONS We have presented a recursive algorithm for interpolating a polynomial $f$ given by a straight-line program, using probes of smaller degree than in previously known methods. We achieve this by looking for “ok” primes which separate most of the terms of $f$, as opposed to “good” primes which separate all of the terms of $f$. As is seen in Table <ref>, our algorithm is an improvement over previous algorithms for moderate values of $T$. This work suggests a number of problems for future work. We believe our algorithms have the potential for good numerical stability, and could improve on [Giesbrecht and Roche, 2011]'s [Giesbrecht and Roche, 2011] work on numerical interpolation of sparse complex polynomials, hopefully capitalizing on the lower degree probes. Our Monte Carlo algorithms are now more efficient than the best known algorithms for polynomial identity testing, and hence these cannot be used to make them error free. We would ideally like to expedite polynomial identity testing of straight-line programs, the best known methods currently due to [Bläser et al., 2009]. Finally, we believe there is still room for improvement in sparse interpolation algorithms. The vector of exponents of $f$ comprises some $T\log D$ bits. Assuming no collisions, a degree-$\ell$ probe gives us some $t\log \ell$ bits of information about these exponents. One might hope, aside from some seemingly rare degenerate cases, that $\log D$ probes of degree $T\log D$ should be sufficient to interpolate $f$. § ACKNOWLEDGEMENTS We would like to thank Reinhold Burger and Colton Pauderis for their feedback on a draft of this [Ben-Or and Tiwari, 1988] Michael Ben-Or and Prasoon Tiwari. A deterministic algorithm for sparse multivariate polynomial In Proceedings of the twentieth annual ACM symposium on Theory of computing, pages 301–309. ACM, 1988. [Bläser et al., 2009] Markus Bläser, Moritz Hardt, Richard J. Lipton, and Nisheeth K. Vishnoi. Deterministically testing sparse polynomial identities of unbounded Information Processing Letters, 1090 (3):0 187–192, 2009. [Bruno et al., 2002] Nicolas Bruno, Joos Heintz, Guillermo Matera, and Rosita Wachenchauzer. Functional programming concepts and straight-line programs in computer algebra. Mathematics and Computers in Simulation, 600 (6):0 423–473, 2002. [Bürgisser et al., 1997] Peter Bürgisser, Michael Clausen, and M. Amin Shokrollahi. Algebraic Complexity Theory, volume 315 of Grundlehren der mathematischen Wissenschaften. Springer-Verlag, 1997. [Cantor and Kaltofen, 1991] David G. Cantor and Erich Kaltofen. On fast multiplication of polynomials over arbitrary algebras. Acta Informatica, 28:0 693–701, 1991. [de Prony, 1795] R. de Prony. Essai expérimental et analytique sur les lois de la dilabilité et sur celles de la force expansive de la vapeur de l'eau et de la vapeur de l'alkool, à différentes températures. J. de l'École Polytechnique, 1:0 24–76, 1795. [Garg and Schost, 2009] Sanchit Garg and Éric Schost. Interpolation of polynomials given by straight-line programs. Theor. Comput. Sci., 4100 (27-29):0 2659–2662, June 2009. ISSN 0304-3975. URL <http://dx.doi.org/10.1016/j.tcs.2009.03.030>. [Gathen and Gerhard, 2003] Joachim von zur Gathen and Jurgen Gerhard. Modern Computer Algebra. Cambridge University Press, New York, NY, USA, 2nd edition, 2003. ISBN 0521826462. [Giesbrecht and Roche, 2011] Mark Giesbrecht and Daniel S. Roche. Diversification improves interpolation. ISSAC '11, pages 123–130, 2011. URL <http://doi.acm.org/10.1145/1993886.1993909>. [Giesbrecht et al., 2009] Mark Giesbrecht, George Labahn, and Wen-shin Lee. Symbolic–numeric sparse interpolation of multivariate polynomials. Journal of Symbolic Computation, 440 (8):0 943–959, 2009. [Kaltofen, 1989] Erich Kaltofen. Factorization of polynomials given by straight-line programs. In Randomness and Computation, pages 375–412. JAI Press, [Kaltofen et al., 1990] Erich Kaltofen, Y. N. Lakshman, and John-Michael Wiley. Modular rational sparse multivariate polynomial interpolation. In Proceedings of the international symposium on Symbolic and algebraic computation, ISSAC '90, pages 135–139, New York, NY, USA, 1990. [Pritchard, 1982] Paul Pritchard. Explaining the wheel sieve. Acta Informatica, 170 (4):0 477–485, 1982. [Rosser and Schoenfeld, 1962] J. Barkley Rosser and Lowell Schoenfeld. Approximate formulas for some functions of prime numbers. Illinois J. Math., 6:0 64–94, 1962. ISSN 0019-2082. [Sturtivant and Zhang, 1990] Carl Sturtivant and Zhi-Li Zhang. Efficiently inverting bijections given by straight line programs. In Foundations of Computer Science, 1990. Proceedings., 31st Annual Symposium on, pages 327–334. IEEE, Oct 1990.
arxiv-papers
2013-04-11T20:43:48
2024-09-04T02:49:44.223659
{ "license": "Public Domain", "authors": "Andrew Arnold, Mark Giesbrecht, Daniel S. Roche", "submitter": "Daniel Roche", "url": "https://arxiv.org/abs/1304.3483" }
1304.3485
# Random Lattice Gauge Theories and Differential Forms111A modified version of this manuscript appears in ISRN Mathematical Physics, vol. 2013, 487270 (2013). doi:10.1155/2013/487270 F. L. Teixeira ElectroScience Laboratory, Department of Electrical and Computer Engineering The Ohio State University, Columbus Ohio 43212, USA. ###### Abstract We provide a brief overview on the application of the exterior calculus of differential forms to the ab initio formulation of field theories based upon random simplicial lattices. In this framework, discrete analogues of the exterior derivative and the Hodge star operator are employed for the factorization of discrete field equations into a purely combinatorial (metric- free) part and a metric-dependent part. The Hodge star duality (isomorphism) is invoked to motivate the use of primal and dual lattices (a dual cell complex). The natural role of Whitney forms in the construction of discrete Hodge star operators is stressed. differential forms, discretization, electrodynamics, exterior calculus, finite differences, finite elements, lattice field theory ###### pacs: 02.70.Bf, 02.70.Dh, 03.50.De, 11.15Ha, 41.20.-q ††preprint: ArXiv v.2 ## I Introduction The need to formulate field theories on a lattice (mesh, grid) arises from two main reasons, which may occur simultaneously or not. First, the lattice provides a natural ‘regularization’ of divergences in lieu of renormalization techniques Montvay . Such regularization does not need to be viewed as an ad hoc step, but instead as a natural consequence of assuming the field theory to be, at some fundamental level, an effective (‘low’-energy) description Zee . Second, the lattice provides a direct route to compute, in a non-perturbative fashion, quantities of interest by numerical simulations. Nontrivial domains and complex boundary conditions can then be easily treated as well Chew ,sanmartin ,Bretones ,TeixeiraAP08 . For these, the use of irregular (‘random’) lattices are often of interest to gain geometrical flexibility. Irregular lattices are also of interest as a means to provide a potentially faster convergence to the continuum limit, near-isotropic lattice dispersion properties, and better ‘conservation’ of some (e.g., long-range translational and rotational) symmetries Christ ,Bolander . In some cases, irregular lattices are useful for universality tests as well Drouffe ,Gockeler . Lattice theories are typically developed by taking the counterpart continuum theory as starting point and then applying discretization techniques whereby derivatives are approximated by finite-differences or some constraints are enforced on the functional space of admissible solutions to be spanned by a finite set of ‘basis’ functions (e.g., ‘Galerkin methods’ such as spectral elements and finite elements). These discretization strategies have proved very useful in many settings; however, they often produce difficulties in the case of irregular (‘random’) lattices. Among such difficulties are ($i$) numerical instabilities in marching-on-time algorithms (regardless of the time integration method used), ($ii$) convergence problems in algorithms relying on iterative linear solvers, and ($iii$) spurious (‘ghost’) modes and/or extraneous degrees of freedom. These problems often (but not always) appear associated with highly skewed or obtuse lattice elements, or at the boundary between heterogeneous (hybrid) lattices subcomponent, comprising overlapped domains or “mesh-stitching” interfaces, for example. Clearly, such difficulties put a constraint on the geometric flexibility that irregular lattices are intended for, and may require stringent (and computationally demanding) mesh quality controls. These difficulties also impact the ability to utilize ‘mesh refinement’ strategies based on a priori error estimates. The reasons behind these difficulties can be traced to an inconsistent rendering of the differential calculus and degrees of freedom on the lattice. A rough classification of those inconsistencies is provided in Appendix D. The objective of this work is to provide a brief overview on the application of exterior calculus of differential forms to the ab initio formulation of gauge field theories on irregular simplicial (or ‘random’) lattices KomorowskiBAPS75 ,DodziukAJM76 ,SorkinJMP75 ,weingarten77 ,MullerAM78 ,BecherZPC82 ,Rabin ,Bossavit98 ,BossavitEJM91 ,AdamsArXiv , MattiussiJCP97 ,KettunenMAGN98 ,MineP16 ,KettunenMAGN99 ,SenAdamsPRE00 ,ShapiroMCS00 ,KotiugaPIER01 ,TeixeiraPIER01 ,KettunenPIER01 ,MineP31 ,Wise . In the exterior calculus framework, the lattice is treated as a cell complex (in the parlance of algebraic topology Schwarz94 ) instead of simply a collection of discrete points, and dynamic fields are represented by means of discrete differential forms (cochains) of various degrees KettunenPIER01 ,MineP25 ,MineP27 ,Wise . This prescription provides a basis for developing a consistent ‘discrete calculus’ on irregular lattices, and discrete analogues to partial differential equations that better adheres to the underlying physics. This topic intersects many disparate application areas. For concreteness, we use classical electrodynamics in 3+1 dimensions as a basic model. Although some familiarity with the exterior calculus of differential forms is assumed Bossavit98 ,BossavitEJM91 ,Whitney57 ,Misner ,DeschampsIEEE82 ,KotiugaJAP93 ,MineP15 ,MineP17 ,MineP29 , the discussion is mostly kept at a tutorial level. Finally, we stress that this is a review paper and no claim of originality is intended. ## II Pre-metric lattice equations Let us denote the space of differential $p$-forms on a smooth connected manifold $\Omega$ as $\Lambda^{p}(\Omega)$. From a geometric perspective, a differential $p$-form $\alpha^{p}\in\Lambda^{p}(\Omega)$ can be viewed as an oriented $p$-dimensional density, or an object naturally associated with $p$-dimensional domains of integration $U_{p}$ such that the lattice contraction (‘pairing’) below: $\left<U_{p}\,,\alpha^{p}\right>\doteq\int_{U_{p}}\alpha^{p}$ (1) gives a real number (in our context) for each choice of $U_{p}$ MineP16 . On a lattice $\mathcal{K}$, $U_{p}$ is restricted to be a union of elements from the finite set of $p$-dimensional $N_{p}$ oriented lattice elements, which we denote $\Gamma_{p}(\mathcal{K})=\\{\sigma_{p,i}\,,i=1,\ldots,N_{p}\\}$. These are collective called ‘$p$-chains’. In four-dimensions for example, they correspond to the possible unions of elements from the set of vertices (nodes) $\sigma_{0}$, edges (‘links’) $\sigma_{1}$, facets (‘plaquettes’) $\sigma_{2}$, volume cells (‘voxels’) $\sigma_{3}$, and hypervolume cells $\sigma_{4}$, for $p=1,\ldots,4$, respectively. In the discrete setting, the degrees of freedom are reduced to the set of pairings (1) on each one of the lattice elements. On the lattice, the pairing above can be understood as a map ${\mathcal{R}}^{p}:\Lambda^{p}(\Omega)\rightarrow\Gamma^{p}(\mathcal{K})$ such that ${\mathcal{R}}^{p}(\alpha_{p})=\left<\sigma_{p,i}\,,\alpha^{p}\right>\doteq\int_{\sigma_{p,i}}\alpha^{p}$ (2) defines its action on the basis of $p$-chains. Note that we use $\Gamma^{p}(\mathcal{K})$ to denote the space dual to $\Gamma_{p}(\mathcal{K})$, i.e. the space $p$-cochains. The latter can be viewed as the space of ‘discrete differential forms’. Because of this, and with some abuse of language, we use the terminology ‘differential forms’ and ‘cochains’ interchangeably to denote the same objects in what follows. The map ${\mathcal{R}}^{p}$ is called the de Rham map MineP16 . The basic differential operator of exterior calculus is the exterior derivative $d$, applicable to any number of dimensions. The discretization of $d$ on a general irregular lattice can be effected by a straightforward application of the generalized Stokes’ theorem MineP16 $\int_{\sigma_{p+1}}d\,\alpha^{p}=\int_{\partial\sigma_{p+1}}\alpha^{p}$ (3) with $p=0,\ldots,3$ in $n=4$. In the above, $\partial$ is the boundary operator, which simply maps a $p$-dimensional lattice element to the set of $(p-1)$-dimensional lattice elements that comprise its boundary, preserving orientation. This theorem sets $\partial$ as the formal adjoint of $d$ in terms of the pairing given in (1), that is $\left<\sigma_{p+1},d\alpha^{p}\right>=\left<\partial\sigma_{p+1},\alpha^{p}\right>$. Computationally, the boundary operator can be implemented by means of incidence matrices MineP16 ,MineP31 ,Guth such that $\partial\,\sigma_{p+1,i}=\sum_{j}C_{ij}^{p}\,\sigma_{p,j}$ (4) where the indices $i$ and $j$ run over all $(p+1)$\- and $p$-dimensional lattice elements, respectively. The incidence matrix entries are such that $C_{ij}^{p}\in\\{-1,0,1\\}$ for all $p$, with sign determined by the relative orientation of lattice elements $i$ and $j$. The restriction to this set of integer values reflects the ‘metric-free’ nature of the exterior derivative: only information about element connectivity, that is, the combinatorial aspects of the lattice, is involved here. It turns out that the metric is fully encoded by Hodge star operators, the discretization of which will be discussed further down below. Using eqs. (3) and (4), one can write $\int_{\sigma_{p+1,i}}d\,\alpha^{p}=\sum_{j}C_{ij}^{p}\int_{\sigma_{p,j}}\alpha^{p}$ (5) for all $i$, so that the derivative operation is replaced by a proper sum over $j$. On the lattice, the nilpotency of the operators ${\partial}\circ{\partial}=d\circ d=0$ Kheyfets is recovered by the constraint MineP16 $\sum_{k}C_{ik}^{p+1}\,C_{kj}^{p}=0$ (6) for all $i$ and $j$. ## III Example: Lattice electrodynamics We write Maxwell’s equations in a four-dimensional Lorentzian manifold $\Omega$ as Misner $dF=0$ (7) $dG=*{\mathcal{J}}$ (8) where $d$ is the four-dimensional exterior derivative, $F$ and $G$ are the so- called Faraday and Maxwell 2-forms, respectively, and $*{\mathcal{J}}$ is the charge-current density 3-form. The Hodge star operator $*$ is an isomorphism that maps $p$-forms to $(4-p)$-forms, and more generally $p$ forms to $(n-p)$ forms in a $n$-dimensional manifold, and, as mentioned before, depends on the metric of $\Omega$ MineP16 ,KettunenMAGN99 ,Misner ,DeschampsIEEE82 ,HiptmairNM01 ,MineP26 ,MineP28 ,MineP30 . The above equations are complemented by the relation $G=*F$, which indicates that $F$ and $G$ are ‘Hodge duals’ of each other. ### III.1 Primal and dual lattices Since $F$ and $G$ are 2-forms, they should be discretized as 2-cochains residing on plaquettes (2-chains) of the 4-dimensional lattice; however, it is important to recognize that these two forms are of different types: $F$ is a ‘ordinary’ (or ‘non-twisted’) differential form, whereas $G$ (as well as $*{\mathcal{J}}$) is a ‘twisted’ (or ‘odd’) differential form burke . The basic difference here has to do with orientation: ordinary forms have internal orientation whereas twisted forms have external orientation MattiussiJCP97 ,MineP16 ,burke ,tonti76 ,TontiPIER01 . These two types of orientations exhibit different symmetries under reflection, a distinction akin to that between proper (or polar) tensors and pseudo (or axial) tensors. Only twisted forms admit integration in non-orientable manifolds. These two types of forms are associated with two distinct ‘cell complexes’ (lattices), each one inheriting the corresponding orientation: the ordinary form $F$ is associated with the set of plaquettes $\Gamma_{2}$ on the ‘ordinary cell complex’ $\mathcal{K}$, thus belonging to $\Gamma^{2}(\mathcal{K})$, while the twisted forms $G$ and $*{\mathcal{J}}$ are associated with the set of plaquettes ${\tilde{\Gamma}}_{2}$ on the ‘twisted cell complex’ $\tilde{\mathcal{K}}$ MineP16 ,TeixeiraPIER01 ,TontiPIER01 ,TontiRAL72 , thus belonging to $\Gamma^{2}(\tilde{\mathcal{K}})$. Consequently, we also have two sets of incidence matrices $C_{ij}^{p}$ and $\tilde{C}_{ij}^{p}$, one for each lattice. It is convenient to denote $\mathcal{K}$ as the ‘primal lattice’ and $\tilde{\mathcal{K}}$ as the ‘dual lattice’ MineP16 . As detailed further below, these two lattices become intertwined by the Hodge duality $F=*G$. The need for dual lattices can be motivated from a combinatorial standpoint AdamsArXiv ,SenAdamsPRE00 or from a computational standpoint (to provide higher-order convergence to the continuum, for example) YeeAP69 ,Taflove95 ,NicolaidesSIAM97 . The importance of a primal/dual lattice setup for the discretization of the Hodge star operator in the context of field theories was first recognized in AdamsArXiv , where it was shown that such setup is also crucial for correctly reproducing topological invariants in the discrete setting. ### III.2 3+1 theory At this point, it is suitable to degeometrize time and treat it simply as a parameter. This corresponds to the majority of low-energy applications involving Maxwell’s equations, in which one is interested in predicting the field evolution along different spatial slices for a given set of initial and boundary conditions. In this case, we still use the symbols $\mathcal{K}$ and $\tilde{\mathcal{K}}$ for the primal and dual lattices, but they now refer to three-dimensional spatial lattices. Similarly, $\Omega$ now refers to a three- dimensional Euclidean manifold . In such a 3+1 setting, one can decompose $F$ and $G$ as $F=E\wedge dt+B$ (9) $G=D-H\wedge dt$ (10) and the source density as $*{\mathcal{J}}=-J\wedge dt+\rho$ (11) where $\wedge$ is the wedge product, $E$ and $H$ are the electric intensity and magnetic intensity 1-forms on $\Gamma_{1}$ and ${\tilde{\Gamma}}_{1}$ respectively, $D$ and $B$ are the electric flux and magnetic flux 2-forms on ${\tilde{\Gamma}}_{2}$ and $\Gamma_{2}$ respectively, $J$ is the electric current density 2-form on ${\tilde{\Gamma}_{2}}$ , and $\rho$ is the electric charge density 3-form on ${\tilde{\Gamma}_{3}}$ (corresponding assignments for the 2+1 and 1+1 cases are provided in MineP27 ). As a result, Maxwell’s equations reduce to $dE=-\partial_{t}B$ (12) $dH=\partial_{t}D+J$ (13) representing Faraday’s and Ampere’s law, respectively. Here, $d$ stands for the 3-dimensional spatial exterior derivative. Note that both eqs. (12) and (13) are metric-free. They are supplemented by Hodge star relations given by $D=\star_{\epsilon}E$ (14) $H=\star_{\mu^{-1}}B$ (15) now involving two Hodge star maps in three-dimensional space: $\star_{\epsilon}:\Lambda^{1}(\Omega)\rightarrow\Lambda^{2}(\Omega)$ and $\star_{\mu^{-1}}:\Lambda^{2}(\Omega)\rightarrow\Lambda^{1}(\Omega)$. On the lattice, we have the corresponding discrete counterparts: $[\star_{\epsilon}]:\Gamma^{1}(\mathcal{K})\rightarrow\Gamma^{2}(\tilde{\mathcal{K}})$ and $[\star_{\mu^{-1}}]:\Gamma^{2}(\mathcal{K})\rightarrow\Gamma^{1}(\tilde{\mathcal{K}})$. The subscripts $\epsilon$ and $\mu$ in $\star_{\epsilon}$ and $\star_{\mu^{-1}}$ serve to indicate that these operators also incorporate macroscopic constitutive material properties through the local permittivity and permeability values codecasa07 (we assume dispersionless media for simplicity). In Riemannian manifolds (and in particular, Euclidean space) and reciprocal media, these two Hodge star operators are symmetric and positive- definite Auchmann . In what follows, we employ the following short-hand notation for cochains: $\left<\sigma_{1,i},E\right>=E_{i}$, $\left<{\tilde{\sigma}}_{1,i},H\right>=H_{i}$, $\left<\tilde{\sigma}_{2,i},D\right>=D_{i}$, $\left<\sigma_{2,i},B\right>=B_{i}$, $\left<\tilde{\sigma}_{2,i},J\right>=J_{i}$, and $\left<\tilde{\sigma}_{3,i},\rho\right>=\rho_{i}$, where the indices run over the respective basis of $p$-chains in either $\mathcal{K}$ or ${\tilde{\mathcal{K}}}$, $p=1,2,3$. With the exception of Appendix A, we restrict ourselves to the 3+1 setting throughout the remainder of this paper. ## IV Casting the metric on a lattice ### IV.1 Whitney forms The Whitney map ${\mathcal{W}}:\Gamma^{p}(\mathcal{K})\rightarrow\Lambda^{p}(\Omega)$ is the right-inverse of the de Rham map (2), that is, ${\mathcal{R}}\circ{\mathcal{W}}=\mathcal{I}$, where $\mathcal{I}$ is the identity operator. In simplicial lattices, this morphism can be constructed using the so-called Whitney forms MullerAM78 ,MineP16 ,KotiugaJAP93 ,MineP26 ,BossavitIEE88 ,kotiugabook ,bossavit05 ,bohethesis ,HiptmairPIER01 ,rapetti ,kangas07 which are basic interpolants from cochains to differential forms Whitney57 (other interpolants are also possible Buffa11 ,Back12 ). By definition, all cell elements of a simplicial lattice are simplices, i.e., cells whose boundaries are the union of a minimal number of lower-dimensional cells. In other words, $0$-simplices are nodes, 1-simplices are links, 2-simplices are triangles, 3-simplices are tetrahedra, and so on. Note that if the primal lattice is simplicial, the dual lattice is not MineP25 . For a $p$-simplex $\sigma_{p,i}$, the (lowest-order) Whitney form is given by $\omega^{p}[\sigma_{p,i}]\doteq p!\sum_{j=0}^{p}(-1)^{i}\lambda_{i,j}d\lambda_{i,0}\wedge d\lambda_{i,1}\cdots d\lambda_{i,j-1}\wedge d\lambda_{i,j+1}\cdots d\lambda_{i,p}$ (16) where $\lambda_{i,j}$, $j=0,\ldots,p$, are the barycentric coordinates associated to $\sigma_{p,i}$. In the case of a $0$-simplex (node), (16) reduces to $\omega^{0}[\sigma_{0,i}]=\lambda_{i}$. From its definition, it is clear that Whitney forms have compact support. Among its important structural properties are: $\left<\sigma_{p,i},\omega^{p}[\sigma_{p,j}]\right>=\int_{\sigma_{p,i}}\omega^{p}[\sigma_{p,j}]=\delta_{ij}$ (17) where $\delta_{ij}$ is the Kronecker delta, which is simply a restatement of ${\mathcal{R}}\circ{\mathcal{W}}=\mathcal{I}$, and $\omega^{p}[\partial^{T}\sigma_{p-1,i}]=d\left(\omega^{p-1}[\sigma_{p-1,i}]\right)$ (18) where $\partial^{T}$ is the coboundary operator kotiugabook , consistent with the generalized Stokes’ theorem. Further structural properties are provided in bossavit05 ,bohethesis . Higher-order version of Whitney forms also exist HiptmairPIER01 ,rapetti . The key result ${\mathcal{W}}\circ{\mathcal{R}}\rightarrow\mathcal{I}$ holds in the limit of zero lattice spacing. This is discussed, together with other related convergence results in various contexts, in MullerAM78 ,Whitney57 ,albeverio90 ,albeverio95 ,wilson07 ,wilson11 ,halvorsen12 . Using the short-hand $\omega^{p}[\sigma_{p,i}]=\omega^{p}_{i}$, we can write the following expansions for $E$ and $B$ in a irregular simplicial lattice, in terms of its cochain representations: $E=\sum_{i}E_{i}\,\omega^{1}_{i}$ (19) $B=\sum_{i}B_{i}\,\omega^{2}_{i}$ (20) where the sums run over all primal lattice edges and faces, respectively. One could argue that Whitney forms are continuum objects that should have no fundamental place on a truly discrete theory. In our view, this is only partially true. In many applications (see, for example, the discussion on space-charge effects below), it is less natural to consider the lattice as endowed with some a priori discrete metric structure than it is to consider it instead as embedded in an underlying continuum (say, Euclidean) manifold with metric and hence inheriting all metric properties from it. In the latter case, Whitney forms provide the standard route to incorporate metric information into the discrete Hodge star operators, as described next. ### IV.2 Discrete Hodge star operator In a source-free media, we can write the Hamiltonian as ${\mathcal{H}}=\frac{1}{2}\int_{\Omega}\left(E\wedge D+H\wedge B\right)=\int_{\Omega}\left(E\wedge\star_{\epsilon}E+\star_{\mu^{-1}}B\wedge B\right)$ (21) Using eqs. (19) and (20), the lattice Hamiltonian assumes the expected quadratic form: ${\mathcal{H}}=\sum_{i}\sum_{j}E_{i}\,[\star_{\epsilon}]_{ij}\,E_{j}+\sum_{i}\sum_{j}B_{i}\,[\star_{\mu^{-1}}]_{ij}\,B_{j}$ (22) where we immediately identify the symmetric positive definite matrices $[\star_{\epsilon}]_{ij}=\int_{\Omega}\omega^{1}_{i}\wedge\star_{\epsilon}\omega^{1}_{j}$ (23) $[\star_{\mu^{-1}}]_{ij}=\int_{\Omega}\left(\star_{\mu^{-1}}\omega^{2}_{i}\right)\wedge\omega^{2}_{j}$ (24) as the discrete realization of the Hodge star operator(s) on a simplicial lattice KettunenMAGN99 ,bossavitjapan so that $D_{i}=\sum_{j}[\star_{\epsilon}]_{ij}E_{j}$ (25) $H_{i}=\sum_{j}[\star_{\mu^{-1}}]_{ij}B_{j}.$ (26) From the above, the Hamiltonian can be also expressed as ${\mathcal{H}}=\sum_{i}E_{i}\,D_{i}+\sum_{i}H_{i}\,B_{i}$ (27) ### IV.3 Symplectic structure and dynamic degrees of freedom The Hodge star matrices $[\star_{\epsilon}]$ and $[\star_{\mu^{-1}}]$ have different sizes. The number of elements in $[\star_{\epsilon}]$ is equal to $N_{1}\times N_{1}$, whereas the number of elements in $[\star_{\mu}^{-1}]$ is equal to $N_{2}\times N_{2}$. In other words, $\Theta(E)=\Theta(D)\neq\Theta(B)=\Theta(H)$, where $\Theta$ denotes the number of (discrete) degrees of freedom in the corresponding field. One important property of a Hamiltonian system is its symplectic character, associated with area preservation in phase space. The symplectic character of the Hamiltonian in principle would require a canonical pair such as $E,B$ to have identical number of degrees of freedom. This apparent contradiction can be explained by the fact that Maxwell’s equations (12) and (13) can be thought as a constrained dynamic system (by the divergence conditions) so that, even though $\Theta(E)\neq\Theta(B)$, we still have $\Theta^{d}(E)=\Theta^{d}(B)$, where $\Theta^{d}$ denotes the number of dynamic degrees of freedom. This is discussed further below in Section VI, in connection with the discrete Hodge decomposition on a lattice. ## V Semi-discrete equations ### V.1 Local and ultra-local lattice coupling By using a contraction in the form of (2) on both sides of (12) with every face $\sigma_{2,j}$ of $\mathcal{K}$, and using the fact that $\left<\sigma_{2,j},\omega^{2}_{i}\right>=\left<\sigma_{1,j},\omega^{1}_{i}\right>=\delta_{ij}$ from (17), we get $\left<\sigma_{2,j},\partial_{t}B\right>=\partial_{t}\sum_{i}B_{i}\left<\sigma_{2,j},\omega^{2}_{i}\right>=\partial_{t}B_{j}$ (28) and $\left<\sigma_{2,j},dE\right>=\left<\partial\sigma_{2,j},E\right>=\sum_{i}E_{i}\sum_{k}C^{1}_{jk}\left<\sigma_{1,k},\omega^{1}_{i}\right>=\sum_{i}C^{1}_{ji}\,E_{i}$ (29) so that $-\partial_{t}B_{i}=\sum_{j}C^{1}_{ij}\,E_{j}$ (30) where the index $i$ runs over all faces of the primal lattice. On the dual lattice ${\tilde{\mathcal{K}}}$, we can similarly contract both sides of eq. (13) with every dual face ${\tilde{\sigma}}_{2,j}$ to get $\partial_{t}D_{i}=\sum_{j}{\tilde{C}}^{1}_{ij}\,H_{j}$ (31) where now the index $i$ runs over all faces of the dual lattice. Using eqs. (25) and (26) and the fact that, in three-dimensions ${\tilde{C}}^{1}_{ij}=C^{1}_{ji}$ MineP16 (up to possible boundary terms ignored here), we can write the last equation in terms of primal lattice quantities as $\partial_{t}\sum_{j}[\star_{\epsilon}]_{ij}\,E_{j}=\sum_{j}C^{1}_{ji}\sum_{k}[\star_{\mu^{-1}}]_{jk}B_{k}$ (32) or, by using the inverse Hodge star matrix $[\star_{\epsilon}]^{-1}_{ij}$, as $\partial_{t}E_{i}=\sum_{j}\Upsilon_{ij}B_{j}$ (33) with $\Upsilon_{ij}\doteq\sum_{k}\sum_{l}[\star_{\epsilon}]^{-1}_{ik}\,C^{1}_{lk}\,[\star_{\mu^{-1}}]_{lj}$ (34) The matrix $[\Upsilon]$ can be viewed as the discrete realization, for $p=2$, of the codifferential operator $\delta=(-1)^{p}*^{-1}d\,*$ that maps $p$-forms to $(n-p)$-forms DeschampsIEEE82 . Since the continuum operators $\star_{\epsilon}$ and $\star_{\mu^{-1}}$ are local burke and, as seen, Whitney forms (16) have local support, it follows that the matrices $[\star_{\epsilon}]$ and $[\star_{\mu^{-1}}]$ are sparse, indicative of an ultra-local coupling (in the terminology of Katz1998 ). In contrast, the numerical inverse $[\star_{\epsilon}]^{-1}$ used in eq. (34) is, in general, not sparse so that the field coupling between distant elements is nonzero. The lack of sparsity is a potential bottleneck in practical simulations. However, because the coupling strength in this case decays exponentially MineP31 ,MineP28 , we can still say (using again the terminology of Katz1998 ) that the resulting discrete operator encoded by the matrix in (34) is local. In practical terms, the exponential decay allows one to set a cutoff on the nonzero elements of $[\star_{\epsilon}]$, based on element magnitudes or on the sparsity pattern of the original matrix $[\star_{\epsilon}]$, to build a sparse approximate inverse for $[\star_{\epsilon}]$ and hence recover back an ultra-local representation for $\star_{\epsilon}^{-1}$ MineP31 ,MineP27a . The sparsity pattern of $[\star_{\epsilon}]$ encodes the nearest-neighbor edge information of the mesh and, consequently, the sparsity pattern of $[\star_{\epsilon}]^{k}$ likewise encodes successive ‘$k$-level’ neighbors. The latter sparsity patterns can be used to build, quite efficiently, sparse approximations for $[\star_{\epsilon}]^{-1}$, as detailed in MineP31 . Once such sparse representations are obtained, eqs. (30) and (33) can be used in tandem to construct a marching-on-time algorithm (see Appendix E (a), for example) with a sparse structure and hence amenable for large-scale problems. ### V.2 Barycentric dual and barycentric decomposition lattices An alternative approach, aimed at constructing a sparse discrete Hodge star for $\star_{\epsilon}^{-1}$ directly from the dual lattice geometry is described in TeixeiraPIER01 , based on earlier ideas exposed in AdamsArXiv ,SenAdamsPRE00 ,AdamsPRL97 . This approach is based on the fact that both primal $\mathcal{K}$ and dual $\tilde{\mathcal{K}}$ lattices can be decomposed into a third (underlying) lattice $\widehat{\mathcal{K}}$ by means of a barycentric decomposition, see SenAdamsPRE00 . The dual lattice $\tilde{\mathcal{K}}$ in this case is called the barycentric dual lattice TeixeiraPIER01 ,AdamsPRL97 and the underlying lattice $\widehat{\mathcal{K}}$ is called the barycentric decomposition lattice. Importantly, $\widehat{\mathcal{K}}$ is simplicial and hence admits Whitney forms built on it using (16). Whitney forms on $\widehat{\mathcal{K}}$ can be used as building blocks to construct (dual) Whitney forms on the (non-simplicial) $\tilde{\mathcal{K}}$, and from that, a sparse inverse discrete Hodge star $[\star_{\epsilon}^{-1}]$ using integrals akin to (23) and (24). An explicit derivation of such dual lattice Whitney forms is provided in buffa . Furthermore, a recent comprehensive survey of this and other approaches based on dual lattices to construct discrete sparse inverse Hodge stars is provided in GilletteCAD11 . A comparison between the properties of a barycentric dual and a circumcentric dual is considered in Calcagni , where it is verified that the former induces a (discrete) Laplacian with better properties (in particular, positivity). The barycentric dual lattice has the important property below associated with Whitney forms: $\left<\tilde{\sigma}_{(n-p),i},\star\omega^{p}[\sigma_{p,j}]\right>=\int_{\tilde{\sigma}_{(n-p),i}}\star\omega^{p}[\sigma_{p,j}]=\delta_{ij}$ (35) where $\star$ stands for the spatial Hodge star operator (distilled from constitutive material properties), and $\tilde{\sigma}_{(n-p),i}$ is the dual element to $\sigma_{p,i}$ on the barycentric dual lattice. The operator $\star$ is such that $\int_{\Omega}\omega^{p}\wedge\star\omega^{p}=\int_{\Omega}|\omega|^{2}dv$ (36) where $|\omega|^{2}$ is the two-norm of $\omega^{p}$ and $dv$ is the volume element. The identity (35) plays the role of structural property (17), on the dual lattice side. We stress that identity (35) is a distinctively characteristic feature of the barycentric dual lattice not shared by other geometrical constructions for the dual lattice. In other words, compatibility with Whitney forms via (35) naturally forces one to choose the dual lattice to be the barycentric dual. From the above, one can also define a (Hodge) duality operator directly on the space of chains, that is $\star_{K}:\Gamma_{p}(\mathcal{K})\mapsto\Gamma_{n-p}(\tilde{\mathcal{K}})$ with $\star_{K}(\sigma_{p,i})=\tilde{\sigma}_{(n-p),i}$ and $\star_{\tilde{K}}:\Gamma_{p}(\tilde{\mathcal{K}})\mapsto\Gamma_{n-p}(\mathcal{K})$ with $\star_{K}(\tilde{\sigma}_{p,i})=\tilde{\sigma}_{(n-p),i}$, so that $\star_{K}\star_{\tilde{K}}=\star_{\tilde{K}}\star_{K}=1$. This construction is detailed in SenAdamsPRE00 . ### V.3 Galerkin duality Even though we have chosen to assign $E$ and $B$ to the primal (simplicial) lattice, and consequently $D$, $H$, $J$, and $\rho$ to the dual (non- simplicial) lattice, the reverse is equally possible. In this case, the fields $D$, $H$ become associated to a simplicial lattice and hence can be expressed in terms of Whitney forms; the expressions dual to (19) and (20) are now $H=\sum_{i}H_{i}\,\omega^{1}_{i}$ (37) $D=\sum_{i}D_{i}\,\omega^{2}_{i}$ (38) with sums running over primal edges and primal faces, respectively, and where $E_{i}=\sum_{j}[\star_{\epsilon^{-1}}]_{ij}D_{j}$ (39) $B_{i}=\sum_{j}[\star_{\mu}]_{ij}H_{j}$ (40) with $[\star_{\epsilon}^{-1}]_{ij}=\int_{\Omega}\left(\star_{\epsilon^{-1}}\omega^{2}_{i}\right)\wedge\omega^{2}_{j}$ (41) $[\star_{\mu}]_{ij}=\int_{\Omega}\omega^{1}_{i}\wedge\star_{\mu}\omega^{1}_{j}$ (42) and the two Hodge star maps now used are such that, in the continuum, $\star_{\epsilon}^{-1}:\Lambda^{2}(\Omega)\rightarrow\Lambda^{1}(\Omega)$ and $\star_{\mu}:\Lambda^{1}(\Omega)\rightarrow\Lambda^{2}(\Omega)$, and, on the lattice, $[\star_{\epsilon}^{-1}]:\Gamma^{2}(\mathcal{K})\rightarrow\Gamma^{1}(\tilde{\mathcal{K}})$ and $[\star_{\mu}]:\Gamma^{1}(\mathcal{K})\rightarrow\Gamma^{2}(\tilde{\mathcal{K}})$. This alternate choice entails a duality between these two formulations, dubbed ‘Galerkin duality’. This is explored in more detail in MineP28 . ## VI Discrete Hodge decomposition and Euler’s formula For any $p$-form $\alpha^{p}$, we can write $\alpha^{p}=d\zeta^{p-1}+\delta\beta^{p+1}+\chi^{p},$ (43) where $\chi^{p}$ is a harmonic form MineP25 . This Hodge decomposition is unique. In the particular case of the $1$-form $E$, we have $E=d\phi+\delta A+\chi,$ (44) where $\phi$ is a $0$-form and $A$ is a $2$-form, with $d\phi$ representing the static field, $\delta A$ the dynamic field, and $\chi$ the harmonic field component (if any). In a contractible domain, $\chi$ is identically zero and the Hodge decomposition simplifies to $E=d\phi+\delta A.$ (45) more usually known as Helmholtz decomposition in three-dimensions. In the discrete setting, the degrees of freedom of $\phi$ are associated to the nodes of the primal lattice. Likewise, the degrees of freedom of $A$ are associated to the facets of the primal lattice. Consequently, we have from (45) that $\displaystyle\Theta^{d}\left(E\right)$ $\displaystyle=$ $\displaystyle N_{E}^{h}-N_{V}^{h}$ (46) $\displaystyle=$ $\displaystyle\left(N_{E}-N_{E}^{b}\right)-\left(N_{V}-N_{V}^{b}\right)$ $\displaystyle=$ $\displaystyle N_{E}-N_{V},$ where $N_{V}$ is the number of primal nodes, $N_{E}$ the number of primal edges, and $N_{F}$ the number of primal facets, with superscript $b$ standing for boundary (fixed) elements and $h$ for interior (free) elements. On the other hand, once we identify the lattice as a network of (in general) polyhedra, we can apply Euler’s polyhedron formula on the primal lattice to obtain MineP28 $N_{V}-N_{E}=1-N_{F}+N_{P},$ (47) where $N_{P}$ represents the number of volume cells comprising the primal lattice. A similar Euler’s polyhedron formula applies to the (closed, two- dimensional) boundary of the primal lattice $N_{V}^{b}-N_{E}^{b}=2-N_{F}^{b},$ (48) Combining Eq. (47) and (48), we have $\left(N_{E}-N_{E}^{b}\right)-\left(N_{V}-N_{V}^{b}\right)=\left(N_{F}-N_{F}^{b}\right)-\left(N_{P}-1\right).$ (49) From the Hodge decomposition (45), we see that $\Theta^{d}\left(E\right)$ is $\displaystyle\Theta^{d}\left(E\right)$ $\displaystyle=$ $\displaystyle N_{E}^{in}-N_{V}^{in}$ (50) $\displaystyle=$ $\displaystyle\left(N_{E}-N_{E}^{b}\right)-\left(N_{V}-N_{V}^{b}\right).$ Note that the divergence free condition $dB=0$ produces one constraint on the 2-form $B$ for each volume element. This constraint also span the whole lattice boundary. The total number of the constrains for $B$ is therefore $\left(N_{P}-1\right).$ Consequently, we have $\displaystyle\Theta^{d}\left(B\right)$ $\displaystyle=$ $\displaystyle N_{F}^{in}-\left(N_{P}-1\right)$ (51) $\displaystyle=$ $\displaystyle\left(N_{F}-N_{F}^{b}\right)-\left(N_{P}-1\right)$ so that $\Theta^{d}\left(B\right)=\Theta^{d}\left(E\right).$ (52) This discussion can be generalized to lattices on non-contractible domains with any number of holes (genus), where the identity $\Theta^{d}\left(B\right)=\Theta^{d}\left(E\right)$ is also satisfied MineP25 . Moreover, from Hodge star isomorphism, we have $\Theta^{d}\left(D\right)=\Theta^{d}\left(E\right)$ and $\Theta^{d}\left(H\right)=\Theta^{d}\left(B\right)$. In general, we can trace a direct correspondence between quantities in the Euler’s polyhedron formula to the quantities in the Hodge decomposition formula. For example, each term in the two-dimensional Euler’s formula $N_{E}=N_{V}+\left(N_{F}-1\right)+g$ is associated to a corresponding term in $E=d\phi+\delta A+\chi$; that is, the number of edges $N_{E}$ corresponds to the dimension of the space of lattice $1$-forms $E$, which is the sum of the number of nodes $N_{V}$ (dimension of the space of discrete $0$-forms $\phi$), the number of faces $\left(N_{F}-1\right)$ (dimension of the space of discrete $2$-forms $A$), and the number of holes $g$ (dimension of the space of harmonic forms $\chi$). A similar correspondence can be traced on a three- dimensional lattice MineP25 . This correspondence provides a physical picture to Euler’s formula and a geometric interpretation to the Hodge decomposition. Acknowledgments The author thanks Weng C. Chew, Burkay Donderici, Bo He, Joonshik Kim, and David H. Adams for technical discussions. APPENDIX A: Differential forms and lattice fermions Differential $p$-forms can be viewed as antisymmetric covariant tensor fields on rank $p$. Therefore, the ingredients discussed above are applicable to any antisymmetric tensor field theory, including (pure) non-Abelian theories AdamsPRL97 . However, for (Dirac) fermion fields the situation is different and, at first, it would seem unclear how differential forms could be used to describe spinors. Nevertheless, a useful connection can indeed be established Montvay ,BecherZPC82 ,Graf . To briefly address this point, let us consider next the lattice transcription of the (one-flavor) Dirac equation. Needless to say, the topic of lattice fermions is vast and we cannot do full justice to it here; we only focus here on the aspects more germane to our main discussion. In this Appendix, we work on Euclidean spacetime with $\hbar=c=1$ and adopt the repeated index summation convention with $\mu$, $\nu$ as coordinate indices, where $x$ is a point in four-dimensional space. It is well known that fermion fields defy a lattice description with local coupling that gives the correct energy spectrum in the limit of zero lattice spacing and the correct chiral invariance AdamsPRD05 . This is formally stated by the no-go theorem of Nielsen-Ninomiya Friedan and is associated to the well-known ‘fermion-doubling’ problem Herbut . A perhaps less known fact is that it is possible to arrive at a ‘geometrical’ interpretation of the source of this difficulty by considering the ‘generalization’ of the Dirac equation $(\gamma^{\mu}\partial_{\mu}+m)\psi(x)=0$ given by the Dirac-Kähler equation $(d-\delta)\Psi(x)=-m\Psi(x)$ (53) The square of the Dirac-Kähler operator can be viewed as the counterpart of the Dirac operator in the sense that $(d-\delta)^{2}=-(d\delta+\delta d)=-\Box$ (54) recovers the Laplacian operator in the same fashion as the Dirac operator squared does, that is $(\gamma^{\mu}\partial_{\mu})^{2}=-\partial_{\mu}\partial^{\mu}=-\Box$, where $\gamma^{\mu}$ represents Euclidean gamma matrices. The Dirac-Kähler equation admits a direct transcription on the lattice because both the exterior derivative $d$ and the codifferential $\delta$ can be simply replaced by its lattice analogues, as discussed before. However, for the Dirac equation the analogy has to further involve the relationship between the 4-component spinor field $\psi$ and the object $\Psi$. This relationship was first established in BecherZPC82 ,Rabin for hypercubic lattices and later extended to non-hypercubic lattices in Gockeler ,Raszillier . The analysis of BecherZPC82 and Rabin has shown that $\Psi$ can be represented by a 16-component complex-valued inhomogeneous differential form: $\Psi(x)=\sum_{p=0}^{4}\alpha^{p}(x)$ (55) where $\alpha^{0}(x)$ is a (1-component) scalar function of position or 0-form, $\alpha^{1}(x)=\alpha^{1}_{\mu}(x)dx^{\mu}$ is a (4-component) 1-form, and likewise for $p=2,3,4$ representing $2$-, $3$-, and $4$-forms with $6$-, $4$-, and $1$-components respectively. By employing the following Clifford algebra product $dx^{\mu}\vee dx^{\nu}=g^{\mu\nu}+dx^{\mu}\wedge dx^{\nu}$ (56) as using the anti-commutative property of the exterior product $\wedge$, we have $dx^{\mu}\vee dx^{\nu}+dx^{\nu}\vee dx^{\mu}=2g^{\mu\nu}$ (57) which exactly matches the anticommutator result of the $\gamma^{\mu}$ matrices, $\gamma^{\mu}\gamma^{\nu}+\gamma^{\nu}\gamma^{\mu}=2g^{\mu\nu}$. This suggests that $dx^{\mu}$ plays the role of the $\gamma^{\mu}$ matrix in the space of inhomogeneous differential forms with Clifford product kanamori , that is $\gamma^{\mu}\partial_{\mu}\mapsto dx^{\mu}\vee\partial_{\mu}$ (58) keeping in mind that while $\gamma^{\mu}\partial_{\mu}$ acts on spinors, whereas $dx^{\mu}\vee\partial_{\mu}=(d-\delta)$ acts on inhomogeneous differential forms. This analysis leads to a ‘geometrical’ interpretation of the popular Kogut-Susskind staggered lattice fermions Susskind ,MineP1 because the latter can be made identical to lattice Dirac-Kähler fermions after a simple relabeling of variables Rabin . The 16-component object $\Psi$ can be viewed as a $4\times 4$ matrix that produces a four-fold degeneracy with respect to the Dirac equation for $\psi$. This degeneracy is actually not a problem in the continuum because there is a well-defined procedure to extract the 4-components of $\psi$ from those of $\Psi$ BecherZPC82 ,Rabin whereby the 16 scalar equations encoded by (53) all reduce to the same copy of the four equations encoded by the standard Dirac equation. This procedure is performed by a set of ‘projection operators’ that form a group BecherZPC82 ,Benn . On the lattice, however, the operators $d$ and $\partial$, as well as $*$ (which plays a role on the space of inhomogeneous differential forms $\Psi$ analogous to that of $\gamma^{5}$ on the space of spinors $\psi$ Beauce ), behave in such a way that their action leads to lattice translations. This is because cochains with different $p$ necessarily live on different lattice elements and also because $*$ is a map between different lattice elements. As a consequence, the product operation of such ‘group’ is not closed anymore. This nonclosure also stems from the fact that the lattice operators $d$ and $\delta$ do not satisfy Leibnitz’s rule kanamori . Because of this, the degeneracy of the Dirac equation on the lattice is present at a more fundamental level and is harder to extricate using the Dirac-Kähler description than the analogous degeneracy in the continuum. In this regard, a new approach to identify the extraneous degrees of freedom away from the continuum was recently described in AdamsPRL10 . In addition, a split-operator approach to solve Dirac equation based on the methods of characteristics that purports to avoid fermion doubling while maintaining chiral symmetry on the lattice was very recently put forth in Fillion . This approach preserves the linearity of the dispersion relation by a splitting of the original problem into a series of one-dimensional problems and the use of a upwind scheme with a Courant-Friedrichs-Lewy (CFL) number equal to one, which provides an exact time-evolution (i.e. with no numerical dispersion effects) along each reduced one-dimensional problem. The main (practical) obstacle in this case is the need to use very small lattice elements. APPENDIX B: Absorbing boundary conditions In many wave scattering simulations, the presence of long-range interactions with slow (algebraic) decay, together with practical limitations in computer memory resources, implies that open-space problems necessitate the use of special techniques to suppress finite volume effects and emulate, for example, the Sommerfeld radiation condition at infinity. Perfectly matched layers (PML) are absorbing boundary conditions commonly used for this purpose Berenger1994 ,Chew_Weedon1994 ,TeixeiraMGWL1997a ,CollinoSIAM1998 . In the continuum limit, the PML provides a reflectionless absorption of outgoing waves, in such a way that when the PML is used to truncate a computational lattice, finite volume effects such as spurious reflections from the outer boundary are exponentially suppressed. When first introduced in the literature Berenger1994 , the PML relied upon the use of matched artificial electric and magnetic conductivities in Maxwell’s equations and of a splitting of each vector field component into two subcomponents. Because of this, the resulting fields inside the PML layer are rendered ‘non-Maxwellian’. The PML concept was later shown to be equivalent in the Fourier domain ($\partial_{t}\rightarrow-i\omega$) to a complex coordinate stretching of the coordinate space (or an analytic continuation to a complex-valued coordinate space) Chew_Weedon1994 ,TeixeiraMGWL1997a ,CollinoSIAM1998 and, as such, applicable to any linear wave phenomena. Inside the PML, the (local) spatial coordinate $\zeta$ along the outward normal direction to each lattice boundary point is complexified as $\zeta\rightarrow\tilde{\zeta}=\int_{0}^{\zeta}s_{\zeta}(\zeta^{\prime})d\zeta^{\prime}$ (59) where $s_{\zeta}$ is the so-called complex stretching variable written as $s_{\zeta}(\zeta,\omega)=a_{\zeta}(\zeta)+i\Omega_{\zeta}(\zeta)/\omega$ with $a_{\zeta}\geq 1$ and $\Omega_{\zeta}\geq 0$ (profile functions). The first inequality ensures that evanescent waves will have a faster exponential decay in the PML region, and the second inequality ensures that propagating waves will decay exponentially along $\zeta$ inside the PML. As opposed to some other lattice truncation techniques, the PML preserves the locality of the underlying differential operators and hence retains the sparsity of the formulation. For Maxwell’s equations, the PML can also be effected by means of artificial material tensors (Maxwellian PML) Sacks1995 . In three-dimensions, the Maxwellian PML can be represented as a media with anisotropic permittivity and permeability tensors exhibiting stratification along the normal to the boundary $S$ that parametrizes the lattice truncation boundary. The PML tensors properties depend on the local geometry via the two principal curvatures of $S$ TeixeiraMGWL1997b ,TeixeiraMOTL1998 ,dondericiAP08 . The boundary surface $S$ is assumed (constructed) as doubly differentiable with non-negative radii of curvature, otherwise dynamic instabilities ensue during a marching-on-time evolution MineP18 . From (59), the PML also admits a straightforward interpretation as a complexification of the metric MineP17 ,MineP19 . As a result, the use of differential forms readily unifies the Maxwellian and non-Maxwellian PML formulations because the metric is explicitly factored out into the Hodge star operators—any transformation the metric corresponds, dually, to a transformation on the Hodge star operators that can be mimicked by modified constitutive relations MineP15 . In the differential forms framework, the PML is obtained by a mapping on the Hodge star operators: $\star_{\epsilon}\rightarrow\tilde{\star}_{\epsilon}$ and $\star_{\mu^{-1}}\rightarrow\tilde{\star}_{\mu^{-1}}$ induced by the complexification of the metric. The resulting differential forms inside the PML, $\tilde{E},\tilde{D},\tilde{H},\tilde{B}$ therefore obey ‘modified’ Hodge relations $\tilde{D}=\tilde{\star}_{\epsilon}\tilde{E}$ and $\tilde{B}=\tilde{\star}_{\mu^{-1}}\tilde{H},$ but identical pre-metric equations (12) and (13). In other words, (12) and (13) are invariant under the transformation (59) MineP17 ,MineP19 . APPENDIX C: Implementation of space charge effects In many applications related to plasma physics or electronic devices, it is necessary to include space charges (uncompensated charge effects) into lattice models of macroscopic Maxwell’s equations. This is typically done by representing the charged plasma media using particle-in-cell (PIC) methods that track the individual particles on the lattice Hockney ,esirkepov ,ok06b . The field/charge interaction is then modeled by ($i$) interpolating lattice fields (cochains) to particle positions (gather step), ($ii$) advancing particle positions and velocities in time using equations of motion, and ($iii$) interpolating back charge densities and currents onto the lattice as cochains (scatter step). In general, the ‘particles’ do not need to be actual individual particles, but can be a collection thereof (‘macro-particles’). To put it simply, incorporation of space charges requires two extra steps during the field update in any marching-on-time algorithm, which transfer information from the instantaneous field distribution to the particle kinematic update and vice-versa. Conventionally, this information transfer relies on spatial interpolations that often violate the charge continuity equation and, as a result, lead to spurious charge deposition on the lattice nodes. On regular lattices, this problem can be corrected, for example, using approaches that either subtract a static solution (charges) from the electric field solution (Boris/DADI correction) or directly subtract the residual error on the Gauss law (Langdon-Marder correction) at each time step Mardahl . On irregular lattices, additional degrees of freedom can be added as coupled elliptical constraints to produce a augmented Lagrange multiplier system Assous . All these approaches necessitate changes on the original equations, while still allowing for small violations on charge conservation. In contrast, Whitney forms provide a direct route to construct gather and scatter steps that satisfy charge conservation exactly even on unstructured lattices candel09 ,squire12 , as explained next. To conform to the vast majority of the plasma and electronic devices literature, we once more restrict ourselves here to the 3+1 setting (although a four-dimensional analysis in Minkowski space would have provided a more succinct discussion). For the gather step, Whitney forms can be used to directly compute (interpolate) the fields at any location from the knowledge of its cochain values, such as in (19) and (20) for example. For the scatter step, charge movement can be modeled as the Hodge-dual of the current 2-form $J$, that is, as the 1-form $\star J$ which can be expanded in terms of Whitney 1-forms on the primal lattice. Here, $\star$ represents again the spatial Hodge star in three-dimensions distilled from macroscopic constitutive properties. The Hodge-dual current associated to an individual point charge can be expressed as $\star J=qv^{\flat}$, where $q$ is the charge value, $v$ is the associated velocity vector, and $\flat$ is the ‘flat’ operator or index-lowering canonical isomorphism that maps a vector to a 1-form, given by the Euclidean metric. Similarly, point charges can be encoded as the Hodge-dual of the charge density 3-form $\rho$, that is, as the 0-form $\star\rho$, which can be expanded in terms of Whitney 0-forms on the primal lattice. These two Whitney maps are linked in such a way that the rate of change on the value of the 0-cochain representing $\star\rho$ at a node is associated to the presence of a 1-cochain representing $\star J$ along the edges that touch that particular node, leading to exact charge conservation at the discrete level. To show this, consider for simplicity the two-dimensional case of a point charge $q$ moving from point $x^{(s)}$ to point $x^{(f)}$ during a time interval $\tau$ inside a triangular cell with nodes $\sigma_{0,0}$, $\sigma_{0,1}$, and $\sigma_{0,2}$, or simply $0$, $1$, and $2$. At any point $x$ inside this cell, the 0-form $\star\rho$ can be scattered to these three adjacent nodes via $\star\rho=q\sum_{i=1}^{3}\left<x,\omega^{0}_{i}\right>\omega^{0}_{i}$ (60) where we are again using the short-hand $\omega^{0}[\sigma_{0,i}]=\omega^{0}_{i}$, and the brackets represent the pairing expressed by (1). In this case, $p=0$ and the pairing integral in (1) reduces to a function evaluation at a point. Since Whitney 0-forms are equal to the barycentric coordinates associated of a given node, that is $\left<x,\omega^{0}_{i}\right>=\lambda_{i}(x)$, we have the scattered charge $q\lambda^{s}_{i}\doteq q\lambda_{i}(x^{(s)})$ on node $i$ for a charge $q$ at $x^{(s)}$, and, similarly, the scattered charge $q\,\lambda^{f}_{i}$ on node $i$ for a charge $q$ at $x^{(f)}$. The rate of scattered charge variation on a given node $i$ is therefore equal to $\dot{q}(\lambda^{f}_{i}-\lambda^{s}_{i})$, where $\dot{q}=q/\tau$. During $\tau$, the particle travels through a path $\ell$ from $x^{(s)}$ to $x^{(f)}$, and the corresponding $\star J$ can be expanded as a sum of Whitney 1-forms $\omega^{1}_{\overline{ij}}$ associated to the three adjacent edges $\overline{ij}=\overline{01},\overline{12},\overline{20}$, that is $\star J=\dot{q}\sum_{\overline{ij}}\left<\ell,\omega^{1}_{\overline{ij}}\right>\omega^{1}_{\overline{ij}}$ (61) The coefficients $\left<\ell,\omega^{1}_{\overline{ij}}\right>$ represent the (oriented) current flow along the associated oriented edge, that is, the cochain representation of $\star J$ along edge $\overline{ij}$. Using (16), the sum of the total current magnitude scattered along edges $\overline{01}$ and $\overline{20}$ that flows into node $0$ is therefore $\dot{q}\left(-\left<\ell,\omega^{1}_{\overline{01}}\right>+\left<\ell,\omega^{1}_{\overline{20}}\right>\right)=\dot{q}\int_{\ell}\left(-\omega^{1}_{\overline{01}}+\omega^{1}_{\overline{20}}\right)$ (62) Using $\omega^{1}_{\overline{ij}}=\lambda_{i}d\lambda_{j}-\lambda_{j}d\lambda_{i}$ and $\lambda_{1}+\lambda_{2}+\lambda_{3}=1$, the above reduces to $\dot{q}\int_{\ell}d\lambda_{0}=\dot{q}(\lambda^{f}_{0}-\lambda^{s}_{0})$ (63) which exactly matches the rate of scattered charge variation on node $0$ obtained before. It is clear that similar equalities hold for nodes 1 and 2. More fundamentally, these equalities are a direct consequence of the structural property (18). APPENDIX D: Classification of inconsistencies in naïve discretizations We provide below a rough classification scheme of inconsistencies arising from naïve discretizations of the differential calculus on irregular lattices. (a) Pre-metric inconsistencies of first kind: We call pre-metric inconsistencies of the first kind those that are related to the primal or dual lattices taken as separate objects and that occur when the discretization violates one or more properties of the continuum theory that is invariant under homeomorphisms—for example, conservations laws that relate a quantity on a region $S$ with an associated quantity on the boundary of the region, $\partial S$ (a topological invariant). Perhaps the most illustrative example is violation of ‘divergence-free’ conditions caused by improper construction of incidence matrices, whereby the nilpotency of the (adjoint) boundary operator, $\partial\circ\partial=0$, is not observed. This implies, in a dual fashion, that the identity $d^{2}=0$ is violated MineP16 . Stated in another way, the exact sequence property of the underlying de Rham differential complex is violated Arnold2002 . In practical terms, this leads to the appearance spurious charges and/or spurious (‘ghost’) modes. As the classification suggests, these properties are not related to metric aspects of the lattice, but only to its “topological aspects” that is, on how discrete calculus operators are defined vis-à-vis the lattice element connectivity. In more mathematical terms, one can say that the structure of the (co)homology groups of the continuum manifold is not correctly captured by the cell complex (lattice). We stress again that, given any dual lattice construction, pre- metric inconsistencies of the first kind are associated to the primal or dual lattice taken separately, and not necessarily on how they intertwine. (b) Pre-metric inconsistencies of second kind: The second type of pre-metric inconsistency is associated to the breaking of some discrete symmetry of the Lagrangian. In mathematical terms, this type of inconsistency can occur when the bijective correspondence between $p$-cells of the primal lattice and $(n-p)$-cells of the dual lattice (an expression of Poincaré duality at the level of cellular homology munkres , up to boundary terms) is violated. This is typified by ‘nonreciprocal’ constructions of derivative operators, where the boundary operator effecting the spatial derivation on the primal lattice $K$ is not the dual adjoint (or the incidence matrix transpose) of the boundary operator on the dual lattice $\mathcal{K}$: for example, the identity ${\tilde{C}}_{ij}^{p}=C_{ji}^{n-1-p}$ (up to boundary terms) used to obtain eq. (32) is violated. One basic consequence of this violation is that the resulting discrete equations break time-reversal symmetry. Consequently, the numerical solutions will violate energy conservation and produce either artificial dissipation or late-time instabilities MineP16 . Many algorithms developed over the years for hyperbolic partial differential equations do indeed violate these properties: they are dissipative and cannot be used for long integration times ChevalierAP97 ,WhiteMTT01 . It should be noted at this point that lattice field theories invariably break Lorentz covariance and many of the continuum Lagrangian symmetries and, as a result, violate conservation laws (currents) by virtue of Noether’s theorem. For example, angular momentum conservation does not hold exactly on the lattice because of the lack of continuous rotational symmetry (note that discrete rotational symmetries can still be present). However, this latter type of symmetry breaking is of a fundamentally different nature because it is ‘controllable’, i.e. their effect on the computed solutions is made arbitrarily small in the continuum limit. More importantly, discrete transcriptions of the Noether’s theorem can be constructed for Lagrangian symmetries on a lattice SorkinJMP75 ,christ12 , to yield exact conservation laws of (properly defined) quantities such as discrete energy and discrete momentum Chew . (c) Hodge-star inconsistencies: In the third type of inconsistency, we include those that arise in connection with metric properties of the lattice. Because the metric is entirely encoded in the Hodge-star operators MineP16 ,BossavitPIER32 ,HiptmairNM01 , such inconsistencies can be simply understood as inconsistencies on the construction of discrete Hodge-star operators (or their procedural analogues). For example, it is not uncommon for naïve discretizations in irregular lattices to yield asymmetric discrete Hodge operators, as noted in WeilandIJNM96 ,RailtonEL97 . Even if symmetry is observed, non positive definiteness might ensue that is often associated with portions of the lattice with highly skewed or obtuse cells Schuhmann98 . Lack of either of these properties lead to unconditional instabilities that destroy marching-on-time solutions MineP16 . When very long integration times are needed, asymmetry in the discrete Hodge matrices can be a problem even if produced at the level of machine rounding-off errors. APPENDIX E: Overview of related discretization approaches We outline below some discretization programs that rely, one way or another, on tenets exposed above. This delineation is mostly informed mostly by applications related to electrodynamics and not too sharp as the programs share much in common. (a) Finite-difference time-domain method: In cubical lattices, the (lowest-order) Whitney forms can be represented by means of a product of pulse and ‘rooftop’ functions on the three Cartesian coordinates chilton2008 . This choice, together with the use of low-order quadrature rules to compute the Hodge star integrals in (23) and (24), leads to diagonal matrices $[\star_{\epsilon}]$, $[\star_{\mu^{-1}}]$, and, consequently, also diagonal $[\star_{\epsilon}]^{-1}$, $[\star_{\mu^{-1}}]^{-1}$ and sparse $[\Upsilon]$ so that an ultra-local equation results for (33). In this fashion, one obtains a ‘matrix-free’ algorithm where no linear algebra is needed during a marching-on-time solution for the fields. This prescription recovers Yee’s finite-difference time-domain scheme YeeAP69 ,Taflove95 ,YeeAP97 . Conventional FDTD adopts the simplest explicit, energy-conserving (symplectic) time-discretization for eqs. (30) and (33), which can be constructed by staggering the electric and magnetic fields in time and replacing time derivatives by central differences. Staggering in both space and time is consistent with the presence of two staggered hypercubical spacetime lattices TontiPIER01 ,MattiussiPIER01 . The staggering in time also provides a $O(\Delta t^{2})$ truncation error. (b) Finite integration technique: The finite integration technique (FIT) Weiland84 ,Schuhmann00 ,codecasa04 is closely related to FDTD, the main distinction being that, assuming piecewise constant fields over each cell, the latter is equivalent to applying the (discrete version) of the generalized Stokes’ theorem to the cochains in (30) and (31). Another difference is that the incidence matrices and material (Hodge star) matrices are treated separately in FIT, in a manner akin to that exposed in Sections III and IV. Like FDTD, FIT is based on dual staggered lattices and, for cubical lattices, it turns out that the lowest-order numerical implementation of FIT is equivalent to the lowest-order FDTD. The spatial operators in FIT can all be viewed as discrete incarnations of the exterior derivative for the various $p$, and as such, the exact sequence property of the underlying de Rham complex is automatically enforced by construction BossavitIEE88 . Historically, FIT generalizations to irregular lattices have relied on the use of either projection operators Schuhmann98 or Whitney forms schuhmann02 to construct discrete versions of the Hodge star operators (or their procedural equivalents); however, these generalizations do not necessarily recover the specific form of the discrete Hodge matrix elements expressed in (23) and (24). (c) Cell method: Another related discretization program, based on general principles originally put forth in TontiPIER01 ,TontiRAL72 ,tonti76 , is the Cell method bullo04 ,alotto06 ,bullo06 ,alotto08 ,alotto10 ,codecasa . Even though this program does not rely on Whitney forms for constructing discrete Hodge star operators (other geometrically-based constructions are used instead), it is nevertheless still based upon the use of ‘domain-integrated’ discrete variables that conform to the notion of discrete differential forms or cochains of various degrees and, as such, it is naturally suited for irregular lattices. The Cell method also employs metric-free discrete operators that satisfy the exactness property of the de Rham complex and make explicit use of a dual lattice (but not necessarily barycentric) motivated by the notion of inner and outer orientations. The relationships between the various discrete operators and ‘domain-integrated’ field quantities (cochains) in the Cell method are built into general classification diagrams referred to as ‘Tonti diagrams’ that reproduce correct commuting diagram properties of the underlying operators tonti76 ,TontiPIER01 . (d) Mimetic finite-differences: ‘Mimetic’ finite-difference methods, originally developed for non-orthogonal hexahedral structured lattices (‘tensor-product grids’) and later extended for irregular and polyhedral lattices SteinbergJCP95 ,ShashkovJCP99 ,ShashkovSIAM99 ,ShashkovANM97 ,ShashkovPIER01 ,CastilloANM02 ,lipnikov06 ,brezzi10 ,robidoux11 ,lipnikov11 also share many of the properties exposed above. The thrust here is towards the construction of discrete versions of the differential operators divergence, gradient, and curl of vector calculus having ‘compatible’ (in the sense of the exactness property of the underlying de Rham complex) domains and ranges and such that the resulting discrete equations exactly satisfy discrete conservation laws. In three dimensions, this naturally leads to the definition of three ‘natural’ operators and three ‘adjoint’ operators that can be associated with exterior derivative $d$ and the codifferential $\delta$, respectively, for $p=1,2,3$ (although the exterior calculus terminology is often not used explicitly in this context). In mimetic finite-differences, the discrete analogues of the codifferential operator $\delta$ are full matrices, and the matrix-free character of FDTD is lacking even on orthogonal lattices. A very thorough, historical review of mimetic finite-difference is provided in Lipnikov . (e) Compatible discretizations and finite element exterior calculus: In recent years, much attention has been devoted to the development of ‘compatible discretizations,’ an umbrella term used to denote spatial discretizations of partial differential equations seeking to provide finite element spaces that reproduce the exactness of the underlying de Rham complex (or the correct cohomology in topologically nontrivial domains) arnold02 ,arnold06a ,white06 ,bochev06 ,boffi07 ,Bochev12 . In this program, Whitney forms play a role of providing ‘conforming’ vector-valued functional (finite element) spaces of Sobolev-type. Specifically, Whitney 1-forms recover the space of ‘Nedelec edge-elements’ or curl-conforming Sobolev space ${\bf H}(\text{curl},\Omega)$ nedelec80 and Whitney 2-forms recover the space of ‘Raviart-Thomas elements’ or div-conforming Sobolev space ${\bf H}(\text{div},\Omega)$ hiptmairMC99 . In this regard, a relatively new advance here has been the development of new finite element spaces, beyond those provided by Whitney forms, based on the Koszul complex Guil . The latter is key for the stable discretization of elastodynamics arnold06b . Another recent approach aimed at the stable discretization of elastodynamics is described in Yavari08 . The link between stability conditions of some mixed finite element methods nedelec80 and the complex of Whitney forms has a long history in the context of electrodynamics BossavitIEE88 ,Bossavitchap ,Bossavit98 ,BossavitEJM91 ,KettunenMAGN98 ,KettunenMAGN99 ,MineP27 ,KotiugaJAP93 ,kangas07 ,wong95 ,feliziani98 ,castillo04 ,rieben05 . (f) Discrete exterior calculus: The ‘discrete exterior calculus’ (DEC) is yet another discretization program aimed at developing ab initio consistent discrete models to describe field theories squire12 ,Desbrun03 ,Hirani03 ,Desbrun05 ,Gillette09 ,perot . 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arxiv-papers
2013-04-11T21:05:21
2024-09-04T02:49:44.232954
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "F. L. Teixeira", "submitter": "Fernando Teixeira", "url": "https://arxiv.org/abs/1304.3485" }
1304.3526
# Method of Relative Magnetic Helicity Computation II: Boundary Conditions for the Vector Potentials Shangbin Yang 11affiliation: Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, 100012 Beijing, China 22affiliation: Max-Planck Institute for Solar System Research, 37191 Katlenburg-Lindau, Germany , Jörg Büchner 22affiliation: Max-Planck Institute for Solar System Research, 37191 Katlenburg-Lindau, Germany , Jean Carlo Santos 33affiliation: Laboratŕio de Plasmas, Instituto de Física, Universidade de Brasĺia, Brazil , and Hongqi Zhang 11affiliation: Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, 100012 Beijing, China ###### Abstract We have proposed a method to calculate the relative magnetic helicity in a finite volume as given the magnetic field in the former paper (Yang et al. Solar Physics, 283, 369, 2013). This method requires that the magnetic flux to be balanced on all the side boundaries of the considered volume. In this paper, we propose a scheme to obtain the vector potentials at the boundaries to remove the above restriction. We also used a theoretical model (Low and Lou, Astrophys. J. 352, 343, 1990) to test our scheme. Magnetic helicity ## 1 Introduction Magnetic helicity is a key geometrical parameter to describe the structure and evolution of solar coronal magnetic fields ( e.g. Berger, 1999). Magnetic helicity in a volume $V$ can be determined as $\centering{H_{\rm M}=\int_{V}\mathbf{A}\cdot\mathbf{B}dV},\@add@centering$ (1) where A is the vector potential for the magnetic field B in this volume. Magnetic helicity is conserved in an ideal magneto-plasma (Woltjer, 1958). As long as the overall magnetic Reynolds number is large, however, it is still approximately conserved, even in the course of relatively slow magnetic reconnection (Berger, 1984). The concept of magnetic helicity has successfully been applied to characterize solar coronal processes, for a recent review about modeling and observations of photospheric magnetic helicity see, e.g., Démoulin and Pariat (2009). Despite of its important role in the dynamical evolution of solar plasmas, so far only a few attempts have been made to estimate the helicity of coronal magnetic fields based on observations and numerical simulations (see, e.g., Thalmann, Inhester, and Wiegelmann, 2011; Rudenko and Myshyakov, 2011). Yang et al. (2013) developed a method for an efficient calculation of the relative magnetic helicity in finite 3D volume which already was applied to a simulated flaring AR Santos et al. (2011). This method requires the magnetic flux to be balanced on all the side boundaries of the considered volume. In this paper, a scheme to remove the restriction has been proposed. In Sec. 2, we describe the restriction of vector potential in the former paper. In Sec. 3, we present the details of the new scheme to calculate the vector potentials on the six boundaries. In sec. 4, we use the theoretical model to check our scheme. The summary and some discussions are given in Sec. 5. ## 2 The former definition of ${\bf A}_{\rm p}$ and A at the boundaries Let us define a finite three-dimensional (3-D) volume (“box”) in Cartesian coordinates with a magnetic field ${\bf B}(x,y,z)$ given in this volume. Let the volume be bounded by $x=[0,l_{x}]$, $y=[0,l_{y}]$, and $z=[0,l_{z}]$. First one has to provide the values of ${\bf A}_{\rm p}$ and A on all six boundaries ($x=0,l_{x};y=0,l_{y};z=0,l_{z}$). To take the bottom boundary ($z=0$) for example, we define a new scalar function $\varphi(x,y)$ that determines the vector potential ${\bf A}_{\rm p}$ of the potential magnetic field P on this boundary as follows: ${A_{\rm p\it x}=-\frac{{\partial\varphi}}{{\partial y}},\qquad A_{\rm p\it y}=\frac{{\partial\varphi}}{{\partial x}},\qquad\left.{A_{\rm p\it z}}\right|_{z=0}=0.}$ (2) According to the definition of the vector potential, the scalar function $\varphi(x,y)$ should satisfy the Poisson equation: $\Delta\varphi(x,y)=B_{z}(x,y,z=0).$ (3) The value of $\partial\phi/\partial n$ on the four sides of the plane $z=0$ is set to zero in Equation (3). According to Eq.( 2), $A_{\rm p\it x}$ and $A_{\rm p\it y}$ will vanish at $y=0,l_{y}$ and at $x=0,l_{x}$, respectively, on the $z=0$ plane. Thus, the corresponding magnetic flux at the boundary should also vanish because of Ampère’s law. The values of ${\bf A}_{\rm p}$ on the other five boundaries could be obtained in a similar way. For the vector potential A at all boundaries the same values are taken as for ${\bf A}_{\rm p}$. When the magnetic fluxes at the six boundaries are not zero, we should calculate the value of vector potentials at the twelve edges of the three- dimensional (3-D) volume to provide the Neumann boundary for the Poisson Equation at each side boundary. In next section, we will introduce a scheme to calculate the vector potentials at the twelve edges. ## 3 new scheme to obtain $\mathbf{A}_{p}$ and $\mathbf{A}$ at the boundaries For the $\mathbf{A}_{p}$, we define the magnetic flux $\Phi_{i}~{}(i=1,...,6)$ respectively at each side boundary ($z=0;~{}z=l_{z};~{}x=0;~{}x=l_{x};~{}y=0;~{}y=l_{y}$). The integrals of $\int{\bf A}_{\rm p}\cdot\rm d{\bf l}$ at the twelve edges are defined as $a_{i}~{}(i=1,...,12)$. The twelve integrals and the corresponding directions are represented in Fig. 1. Figure 1: Magnetic flux $\Phi_{i}~{}(i=1,...,6)$ at the six boundaries and the integrals $a_{i}~{}(i=1,...,12)$ of $\int{\bf A}_{\rm p}\cdot\rm d{\bf l}$ at the twelve edges. According to the Ampère’s law, the integral value $a_{i}$ satisfy the following linear equations ${\rm{TX=B},}$ (4) where $\textrm{B}=(\Phi_{1},\Phi_{2},\Phi_{3},\Phi_{4},\Phi_{5},\Phi_{6})^{T}$, $\textrm{X}=(a_{1},a_{2},a_{3},...,a_{12})^{T}$ and T is a matrix of 6$\times$12 , which is equal $\left[\begin{array}[]{cccccccccccc}1&1&1&1&0&0&0&0&0&0&0&0\\\ 0&0&0&0&1&1&1&1&0&0&0&0\\\ 0&0&0&{-1}&0&0&0&{-1}&1&0&0&1\\\ 0&{-1}&0&0&0&{-1}&0&0&0&1&1&0\\\ {-1}&0&0&0&{-1}&0&0&0&{-1}&{-1}&0&0\\\ 0&0&{-1}&0&0&0&{-1}&0&0&0&{-1}&{-1}\\\ \end{array}\right].$ (5) One can check that the six rows-vector in this matrix is not linear independent because the magnetic field is divergence free and the sum of $\Phi_{i}$ at the six boundaries is zero. Moreover, the unknown twelve $a_{i}$ are not unique just under the restriction of above six conditions. Hence, we need to construct twelve independent conditions to obtain the unique solution for $a_{i}$. We define the new matrix $\hat{\textrm{T}}$ as follows $\left[\begin{array}[]{ccccccccccccc}1&1&1&1&0&0&0&0&0&0&0&0\\\ 0&0&0&0&1&1&1&1&0&0&0&0\\\ 0&0&0&{-1}&0&0&0&{-1}&1&0&0&1\\\ 0&{-1}&0&0&0&{-1}&0&0&0&1&1&0\\\ {-1}&0&0&0&{-1}&0&0&0&{-1}&{-1}&0&0\\\ 1&0&{-1}&0&0&0&0&0&0&0&0&0\\\ 0&1&0&{-1}&0&0&0&0&0&0&0&0\\\ 0&0&1&0&{-1}&0&0&0&0&0&0&0\\\ 0&0&0&1&0&{-1}&0&0&0&0&0&0\\\ 0&0&0&0&1&0&{-1}&0&0&0&1&0\\\ 0&0&0&0&0&1&0&{-1}&0&0&0&0\\\ 0&0&0&0&0&0&1&0&{-1}&0&0&0\\\ \end{array}\right].$ (6) One can check that the determinant of $\hat{\textrm{T}}$ is not zero. According to Cramer rule, the unique solution is existent for the new linear equation ${\rm{{\hat{T}}X=\hat{B}},}$ (7) where $\textrm{X}=(a_{1},a_{2},a_{3},...,a_{12})^{T}$ and $\hat{\textrm{B}}=(\Phi_{1},\Phi_{2},\Phi_{3},\Phi_{4},\Phi_{5},0,0,0,0,0,0,0)^{T}$. Then we can obtain the integrals of $\int{\bf A}_{\rm p}\cdot\rm d{\bf l}$ at the twelve edges. The corresponding vector potential at the twelve edges could be obtained by using the following equation: $\begin{split}{\rm{A}}_{{\rm{px}}}\left({a_{i}}\right)=\frac{{\pi a_{i}}}{{2L_{x}}}\sin({{\pi x}\mathord{\left/{\vphantom{{\pi x}{L_{x}}}}\right.\kern-1.2pt}{L_{x}}}),i=1,3,5,7\\\ {\rm{A}}_{{\rm{py}}}\left({a_{i}}\right)=\frac{{\pi a_{i}}}{{2L_{y}}}\sin({{\pi y}\mathord{\left/{\vphantom{{\pi y}{L_{y}}}}\right.\kern-1.2pt}{L_{y}}}),i=2,4,6,8\\\ {\rm{A}}_{{\rm{pz}}}\left({a_{i}}\right)=\frac{{\pi a_{i}}}{{2L_{z}}}\sin({{\pi z}\mathord{\left/{\vphantom{{\pi z}{L_{z}}}}\right.\kern-1.2pt}{L_{z}}}),i=9,10,11,12\end{split}$ (8) Note that ${\bf A}_{\rm p}$ at the ends of every edge both are zero according to the above equation. That is the requirement of Eq. (2). Then we resolve the Poisson equations to obtain ${\bf A}_{\rm p}$ at the six boundaries. For the vector potential A at all boundaries the same values are taken as for ${\bf A}_{\rm p}$. Then we can follow the method of Sec. 2.2 and 2.3 of the former paper Yang et al. (2013) to calculate the relative magnetic helicity in this volume. ## 4 Testing the scheme For testing the new scheme to obtain the vector potentials at the boundaries, we use the axisymmetric nonlinear force-free fields of Low and Lou (1990). We used the model labeled $P_{1,1}$ with $l=0.3$ and $\Phi=\pi/2$ in the notation of their paper. We calculated the magnetic field on a uniform grid of $64\times 64\times 64$. The pixel size in the calculation is assumed to be 1. We calculate the magnetic fluxes $\Phi_{0}$ at the six boundaries and substitute it to the Eq. (7) to obtain the integral $a_{i}$ at the twelve edges of the 3D volume. Then we substitute $a_{i}$ into Eq. (8) respectively to get the boundary value for resolving the Poisson equation in Eq. (3) at the six boundaries. After we attain ${\bf A}_{\rm p}$ at the six boundaries, we could also calculate the magnetic flux $\Phi$ according to the relation between the vector potential and the magnetic field: ${\bf B}\cdot\hat{\rm n}=\nabla\times{\bf A}_{\rm p}\cdot\hat{\rm n}$. Table. 1 represents the final result after we apply the the above scheme. It can be found that the calculated magnetic fluxes at the six boundaries by using our scheme respectively coincide well with the original value from the theoretical model. Note that the total magnetic flux of the theoretical model is not exact zero. However, it is required that the total magnetic flux is exact zero when resolving the linear equation Eq. (7), which cause the total magnetic fluxes of $\oint{\bf A}_{\rm p}\cdot\rm d{\bf l}$ and $\Phi$ are different with that of $\Phi_{0}$. On the other hand, the numerical errors when resolving the Poisson equation are also unavoidable, which will also introduce the difference for the total magnetic flux as well. Table 1: Testing using the new scheme to a theoretical model. side boundary | $\Phi_{0}^{\tablenotemark{a}}$ | $\oint{\bf A}_{\rm p}\cdot\rm d{\bf l}^{\tablenotemark{b}}$ | $\Phi^{\tablenotemark{c}}$ ---|---|---|--- $z=0$ | -3615.81 | -3615.81 | -3487.1068 $z=l_{z}$ | 1461.13 | 1461.13 | 1490.2739 $x=0$ | -1471.95 | -1471.95 | -1563.7657 $x=l_{x}$ | -1471.95 | -1471.96 | -1564.9280 $y=0$ | 4006.42 | 4006.42 | 4087.8426 $y=l_{y}$ | 1068.27 | 1092.17 | 1066.6782 Total flux | -23.89 | 0.00012 | 28.99 ## 5 Summary In this paper, we propose a new scheme to calculate the vector potential at the boundaries to remove the restrictions in the former paper Yang et al. (2013). In principle, now we can calculate the relative magnetic helicity of any magnetic field structure in Cartesian coordinates. In the observations, we could use force-free extrapolation method to obtain the three-dimensional magnetic structure to analyze the evolution of relative magnetic helicity. On the other hand, we can also use a sequence of magnetograms to estimate the accumulated magnetic helicity in the solar corona (Ref. Démoulin and Pariat, 2009). It will be very interesting to compare the two types of accumulated magnetic helicity and analyze the correlation between magnetic helicity and solar eruption (e.g. Jing et al., 2012). In the simulations, we could also calculate the relative magnetic helicity directly based the known magnetic field structure to understand how the magnetic helicity plays an important role in solar reconnection and dynamos. This study is supported by grants 10733020, 10921303, 41174153,11173033 11178016 and 11103038 of National Natural Science Foundation of China, 2011CB811400 of National Basic Research Program of China, a sandwich-PhD grant of the Max-Planck Society and the Max-Planck Society Interinstitutional Research Initiative Turbulent transport and ion heating, reconnection and electron acceleration in solar and fusion plasmas of Project No. MIF-IF-A- AERO8047.The authors also like to thank the Supercomputing Center of Chinese Academy of Sciences (SCCAS) for the allocation of computing time. ## References * Berger (1984) Berger, M. A., Field, G., B.: 1984, J. Fluid Mech. 147, 133\. * Berger (1999) Berger, M. A.: 1999, Plasma Phys. Contr. Fusion 41, 167. * Boulmezaoud (1999) Boulmezaoud, T. Z.: 1999, Étude des champs de Beltrami dans des domaines de R3 bornś et non bornś et applications en astrophysique”, Ph.D. thesis, Univ. Paris VI. * Démoulin and Pariat (2009) Démoulin, P., Pariat, E.: 2009, Adv. Space Res. 43, 1013\. * Jing et al. (2012) Jing, J., Park, S., Liu, C., Lee, J., Wiegelmann, T., Xu, Y., Deng, N., & Wang, H. M. : 2012, Astrophys. J. 752, L9 * Low and Lou (1990) Low, B. C., Lou, Y.Q.: 1990, Astrophys. J. 352, 343. * Rudenko and Myshyakov (2011) Rudenko, G. V., Myshyakov, I. I.: 2011, Solar phys. 270, 165\. * Santos, Büchner, and Otto (2011) Santos, J. C., Büchner, J., Otto, A.: 2011, Astron. Astrophys. 535, A111. * Seehafer, Kuzanyan, and Pipin (2003) Seehafer, N., Gellert, M., Kuzanyan, K. M., Pipin, V. V.: 2003, Adv. Space Res. 32, 1819. * Thalmann, Inhester, Wiegelmann (2011) Thalmann, J. K., Inhester, B., Wiegelmann, T.: 2011, Solar Phys. 272, 243. * Valori, Démoulin and Pariat (2012) Valori, G., Démoulin, P., Pariat, E.: 2012, Solar Phys. 278, 347. * Woltjer (1958) Woltjer, L. 1958, Proc. Natl Acad. Sci. USA, 44, 480 * Santos et al. (2011) Santos, J. C., Büchner, J., & Otto, A. 2011, A&A, 535, A111 * Yang et al. (2013) Yang, S., Büchner, J. , Santos, J. C., & Zhang, H.: 2013, Solar Physics,283, 369. * Yang, Büchner, and Zhang (2009a) Yang, S., Büchner, J., Zhang, H.: 2009, Astrophys. J. Lett. 695, L25. * Yang, Büchner, and Zhang (2009b) Yang, S., Zhang, H., Büchner, J.: 2009, Astron. Astrophys. 502, 333. * Zhang (2006) Zhang, H.: 2006, Astrophys. Space Sci. 305, 211. * Zhang, Flyer, and Low (2006) Zhang, M., Flyer, M., Low, B.: 2006, Astrophys. J. 644, 575\.
arxiv-papers
2013-04-12T02:41:35
2024-09-04T02:49:44.247460
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Shangbin Yang, J\\\"org B\\\"uchner, Jean Carlo Santos and Hongqi Zhang", "submitter": "Shangbin Yang Dr.", "url": "https://arxiv.org/abs/1304.3526" }
1304.3543
# Zeros of Witten zeta functions and absolute limit N. Kurokawa and H. Ochiai ## 1 Introduction The Witten zeta function $\zeta_{G}^{W}(s)=\sum_{\rho\in\hat{G}}\deg(\rho)^{-s}$ was introduced by Witten [W] in 1991, where $G$ is a compact topological group and $\hat{G}$ denotes the unitary dual, that is, the set of equivalence classes of irreducible unitary representations. The example $\zeta^{W}_{SU(2)}(s)=\sum_{m=0}^{\infty}\deg({\operatorname{Sym}}^{m})^{-s}=\sum_{n=1}^{\infty}n^{-s}=\zeta(s),$ where $\zeta(s)$ denotes the Riemann zeta function, suggests fine properties for general case. In fact, Witten showed arithmetical interpretation for $\zeta^{W}_{SU(n)}(2m)$ ($m=1,2,3,\dots$) containing Euler’s result ([E1] 1735) $\zeta^{W}_{SU(2)}(2m)\in\pi^{2m}\mathbf{Q}.$ In this paper we look at the opposite side: special values at negative integers such as $\displaystyle\zeta^{W}_{SU(2)}(-1)$ $\displaystyle=\mbox{``\ $\displaystyle\sum_{n=1}^{\infty}n$\ ''}=-\frac{1}{12},$ (1) $\displaystyle\zeta^{W}_{SU(2)}(-2)$ $\displaystyle=\mbox{``\ $\displaystyle\sum_{n=1}^{\infty}n^{2}$\ ''}=0$ (2) due to Euler [E2](1749). We notice that the value $\mbox{``\ $\displaystyle\sum_{n=1}^{\infty}n$\ ''}=-\frac{1}{12}$ appears as the one-dimensional Casimir energy: see Casimir [C] and Hawking [H]. The equality $\mbox{``\ $\displaystyle\sum_{n=1}^{\infty}n^{2}$\ ''}=0$ means the vanishing of the two-dimensional Casimir energy. We notice that $\zeta^{W}_{G}(-2)=\left|G\right|$ when $G$ is a finite group. We conjecture that $\zeta^{W}_{G}(-2)=0$ (3) for infinite groups $G$. For deeper understanding of the situation, we introduce a new zeta function (Witten $L$-function) $\zeta^{W}_{G}(s,g)=\sum_{\rho\in\widehat{G}}\frac{{\operatorname{trace}}(\rho(g))}{\deg(\rho)}\deg(\rho)^{-s}$ (4) where $G$ is a compact topological group, $g$ is an element of $G$, $\widehat{G}$ is the set of equivalence classes of irreducible ($\mathbf{C}$-valued) representations of $G$, $\deg(\rho)$ is the degree (the dimension) of an irreducible representation $\rho\in\widehat{G}$. Note that ${\operatorname{trace}}(\rho(g))$ is the character of the representation $\rho$. This Witten zeta function $\zeta_{G}^{W}(s,g)$ reduces to the (usual) Witten zeta function when we specialize $g$ to be the identity element $1\in G$: $\zeta^{W}_{G}(s)=\zeta^{W}_{G}(s,1).$ In the case of a finite group $G$ we have $\zeta^{W}_{G}(-2,g)=\left\\{\begin{array}[]{ll}\left|G\right|&\mbox{ if }g=1,\\\ 0&\mbox{ otherwise}.\end{array}\right.$ We conjecture that $\zeta^{W}_{G}(-2,g)=0$ (5) when $G$ is an infinite group. The following result treats the case $G=SU(2)$. ###### Theorem 1. Suppose $g\in SU(2)$ is conjugate to $\left(\begin{array}[]{cc}e^{i\theta}&0\\\ 0&e^{-i\theta}\end{array}\right)$ with $0\leq\theta\leq\pi$. * (1) We have an expression $\zeta^{W}_{SU(2)}(s,g)=\sum_{n=1}^{\infty}\frac{\sin(n\theta)}{n\sin\theta}n^{-s}$ in ${\operatorname{Re}}(s)>1$ The function $\zeta^{W}_{SU(2)}(s,g)$ in $s$ has a meromorphic continuation to the whole complex plane. * (2) For a positive even integer $m$, we have $\zeta_{SU(2)}^{W}(-m,g)=0$ for all $g\in SU(2)$. Moreover, $s=-2$ is a simple zero of $\zeta_{SU(2)}^{W}(s,g)$, and the first derivative at $s=-2$ is given as $\frac{\partial\zeta^{W}_{SU(2)}}{\partial s}(-2,g)=\left\\{\begin{array}[]{ll}-\frac{\zeta(3)}{4\pi^{2}}&\mbox{ if }\theta=0,\\\ \frac{1}{4\pi\sin\theta}\left(\zeta(2,\frac{\theta}{2\pi})-\frac{\pi^{2}}{2\sin^{2}\frac{\theta}{2}}\right)>0&\mbox{ if }0<\theta<\pi,\\\ \frac{7\zeta(3)}{4\pi^{2}}&\mbox{ if }\theta=\pi.\end{array}\right.$ Here $\zeta(s,x)$ denotes the Hurwitz zeta function. * (3) The special value at $s=-1$ is given as $\zeta^{W}_{SU(2)}(-1,g)=\left\\{\begin{array}[]{ll}-\frac{1}{12}&\mbox{ if }\theta=0,\\\ \frac{1}{4\sin^{2}\frac{\theta}{2}}&\mbox{ if }0<\theta<\pi,\\\ \frac{1}{4}&\mbox{ if }\theta=\pi.\end{array}\right.$ We now introduce a ‘multi’-version of Witten $L$-function. For $g_{1},\ldots,g_{r}\in G$, we define $\displaystyle\zeta^{W}_{G}(s;g_{1},\dots,g_{r})$ $\displaystyle:=\sum_{\rho\in\widehat{G}}\frac{{\operatorname{trace}}(\rho(g_{1}))}{\deg(\rho)}\cdots\frac{{\operatorname{trace}}(\rho(g_{r}))}{\deg(\rho)}\times\deg(\rho)^{-s}$ $\displaystyle=\sum_{\rho\in\widehat{G}}\frac{{\operatorname{trace}}(\rho(g_{1}))\cdots{\operatorname{trace}}(\rho(g_{r}))}{\deg(\rho)^{s+r}}.$ It is natural to ask whether the vanishing $\zeta^{W}_{G}(-2;g_{1},\dots,g_{r})\overset{?}{=}0$ of the special value at $s=-2$ for this generalization holds. We have a partial answer to this question. ###### Theorem 2. We have $\zeta^{W}_{SU(2)}(-m;g_{1},g_{2})=0$ for $g_{1},g_{2}\in SU(2)$, and a positive even integer $m$. We also give an example of the non-vanishing for the case $r=3$: for some $g\in SU(2)$, we prove that $\zeta^{W}_{SU(2)}(-2;g,g,g)\neq 0$. These results related with the Lie group $SU(2)$ are given in Section 2. We report further examples of zeros of Witten zeta functions for infinite groups. ###### Theorem 3. $\zeta^{W}_{SU(3)}(s)=0$ for $s=-1,-2,\dots.$ The proof of this theorem is given in Section 3. The next example is not a Lie group, but a totally disconnected group. Let $\mathbf{Z}_{p}$ be the $p$-adic integer ring for a prime number $p$. ###### Theorem 4. Suppose $p\neq 2$. Then $\zeta^{W}_{SL_{2}(\mathbf{Z}_{p})}(s)=0$ for $s=-1,-2$. Now we consider the congruence subgroups. For a positive integer $m$, we define a subgroup of $SL_{3}(\mathbf{Z}_{p})$ of finite index by $SL_{3}(\mathbf{Z}_{p})[p^{m}]=\ker(SL_{3}(\mathbf{Z}_{p})\rightarrow SL_{3}(\mathbf{Z}_{p}/(p^{m}))).$ ###### Theorem 5. Suppose $p\neq 3$. * (1) $\displaystyle\zeta_{SL_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(s)$ $\displaystyle=p^{8m}\frac{(1-p^{-2-s})(1-p^{-1-s})}{(1-p^{1-2s})(1-p^{2-3s})}$ $\displaystyle\times\left(1+(p^{-1}+p^{-2})p^{-s}+(1+p^{-1})p^{-2s}+p^{-2-3s}\right).$ * (2) $\zeta_{SL_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(s)=0$ for $s=-1,-2$. * (3) $\zeta^{W}_{SL_{3}(\mathbf{Z}_{1})[1^{m}]}(s)=\frac{(s+1)(s+2)}{(s-\frac{1}{2})(s-\frac{2}{3})}.$ Here we interpret that if $\zeta_{SL_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(s)$ has an expression as an analytic function on $p$, and there is a limit $p\to 1$, then its limit is denoted by $\zeta^{W}_{SL_{3}(\mathbf{Z}_{1})[1^{m}]}(s)=\lim_{p\to 1}\zeta_{SL_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(s).$ These results on totally disconnected groups are given in Section 4. ## 2 $SU(2)$ ### 2.1 Parametrization of irreducible representations of $SU(2)$ The set of equivalence classes, $\widehat{G}$, of irreducible unitary representations of $G=SU(2)$ is parametrized by the set of natural numbers. For a natural number, we denote by $\rho=\rho_{n}\in\widehat{G}$, the corresponding irreducible representation of $G$. For a $g=\left(\begin{array}[]{cc}e^{i\theta}&0\\\ 0&e^{-i\theta}\end{array}\right)\in G$, we have the character formula ${\operatorname{trace}}(\rho(g))=e^{i(n-1)\theta}+e^{i(n-3)\theta}+\cdots+e^{i(3-n)\theta}+e^{i(1-n)\theta}$ (6) and the degree $\deg(\rho)={\operatorname{trace}}(\rho(I_{2}))=n,$ (7) where $I_{2}=\textstyle\left(\begin{array}[]{cc}1&0\\\ 0&1\end{array}\right)\in SU(2)$ is the identity matrix. We also see that ${\operatorname{trace}}(\rho(-I_{2}))=(-1)^{n-1}n$. We start from $g=\pm I_{2}\in SU(2)$. In these cases, $\zeta_{SU(2)}^{W}(s,g)$ is written in terms of Riemann zeta function. We see that $\zeta_{SU(2)}^{W}(s,I_{2})=\zeta(s)$, and $\zeta_{SU(2)}^{W}(s,-I_{2})=\sum_{n=1}^{\infty}\frac{(-1)^{n-1}}{n^{s}}=(1-2^{1-s})\zeta(s).$ (8) ### 2.2 Poly-logarithm function We recall the poly-logarithm $\displaystyle Z(s,x)$ $\displaystyle=\sum_{n=1}^{\infty}\frac{x^{n}}{n^{s}},$ which is written also as ${\operatorname{Li}}_{s}(x)$ in literature. This series converges if $\left|x\right|<1$ and $s\in\mathbf{C}$, or $\left|x\right|=1$ and ${\operatorname{Re}}(s)>1$. In the following, we restrict to the case $\left|x\right|=1$. ###### Theorem 6. Suppose $\left|x\right|=1$ and $x\neq 1$. Then $Z(s,x)$ is analytically continued to a holomorphic function on $s\in\mathbf{C}$. Moreover, for every non-negative integer $m$, the function $Z(-m,x)$ can be expressed by a rational function in $x$. The first several examples are $Z(0,x)=\frac{x}{1-x},\quad Z(-1,x)=\frac{x}{(1-x)^{2}},\quad Z(-2,x)=\frac{x(1+x)}{(1-x)^{3}},\ldots.$ ###### Proof. For ${\operatorname{Re}}(s)>1$, we have $\displaystyle Z(s,x)$ $\displaystyle=x+\frac{x^{2}}{2^{s}}+\sum_{n=3}^{\infty}\frac{x^{n}}{n^{s}}$ $\displaystyle=x+\frac{x^{2}}{2^{s}}+\sum_{n=2}^{\infty}\frac{x^{n+1}}{(n+1)^{s}}$ $\displaystyle=x+\frac{x^{2}}{2^{s}}+\sum_{n=2}^{\infty}x^{n+1}n^{-s}(1+n^{-1})^{-s}$ $\displaystyle=x+\frac{x^{2}}{2^{s}}+\sum_{n=2}^{\infty}x^{n+1}n^{-s}\sum_{k=0}^{\infty}\binom{-s}{k}n^{-k}$ $\displaystyle=x+\frac{x^{2}}{2^{s}}+x\sum_{k=0}^{\infty}\binom{-s}{k}(Z(s+k,x)-x)$ $\displaystyle=x+\frac{x^{2}}{2^{s}}+x(Z(s,x)-x)+x\sum_{k=1}^{\infty}\binom{-s}{k}(Z(s+k,x)-x).$ This shows $\displaystyle(1-x)Z(s,x)$ $\displaystyle=x+x^{2}(2^{-s}-1)+x\sum_{k=1}^{\infty}\binom{-s}{k}(Z(s+k,x)-x).$ (9) By the estimates of binomial coefficients, the right-hand side converges absolutely on the right-half plane ${\operatorname{Re}}(s)>0$. This shows the analytic continuation of $Z(s,x)$ to ${\operatorname{Re}}(s)>0$. Repeating this argument, we obtain the analytic continuation to whole $s\in\mathbf{C}$. To substitute $s=-m$ with $m=0,1,\dots$, we have the recursion equation $\displaystyle(1-x)Z(-m,x)=x+x^{2}(2^{m}-1)+x\sum_{k=1}^{m}\binom{m}{k}(Z(-(m-k),x)-x).$ (10) ∎ First several examples show $\displaystyle Z(-3,x)$ $\displaystyle=\frac{x(1+4x+x^{2})}{(1-x)^{4}},\qquad Z(-4,x)=\frac{x(1+x)(1+10x+x^{2})}{(1-x)^{5}},$ $\displaystyle Z(-5,x)$ $\displaystyle=\frac{x(1+26x+66x^{2}+26x^{3}+x^{4})}{(1-x)^{6}}.$ These examples seem to show ###### Lemma 7. Suppose $\left|x\right|=1$ with $x\neq 1$. Then $\displaystyle Z(0,x)+Z(0,x^{-1})=-1,$ (11) and for every positive integer $m$, $Z(-m,x)+(-1)^{m}Z(-m,x^{-1})=0.$ (12) ###### Proof. We start from [Jonquière 1880] $e^{-\pi is/2}Z(s,e^{i\theta})+e^{\pi is/2}Z(s,e^{-i\theta})=\frac{(2\pi)^{s}}{\Gamma(s)}\zeta(1-s,\frac{\theta}{2\pi})$ (13) in Milnor [M]. Putting $s=-m$ with $m=1,2,\dots$, we have $e^{\pi im/2}Z(-m,e^{i\theta})+e^{-\pi im/2}Z(-m,e^{-i\theta})=0.$ ∎ We remark that $Z(0,1)=\zeta(0)=-1/2$. In this sense, the formula (11) is valid also for $x=1$. ### 2.3 An example $Z(-1,e^{i\theta})=\frac{1}{(e^{-i\theta/2}-e^{i\theta/2})^{2}}=-\frac{1}{4\sin^{2}(\theta/2)}.$ (14) and this shows ${\operatorname{Li}}_{-1}(e^{-i\theta})={\operatorname{Li}}_{-1}(e^{i\theta}),$ (15) an even function in $\theta$. ### 2.4 Proof of Theorem 1(1) and analytic continuation Now we consider regular elements in $SU(2)$. Suppose $0<\theta<\pi$. Then we have, for ${\operatorname{Re}}(s)>1$, $\displaystyle\zeta_{SU(2)}^{W}\left(s,\left(\begin{array}[]{cc}e^{i\theta}&0\\\ 0&e^{-i\theta}\end{array}\right)\right)$ $\displaystyle=\sum_{n=1}^{\infty}\frac{e^{in\theta}-e^{-in\theta}}{e^{i\theta}-e^{-i\theta}}\frac{1}{n}n^{-s}$ $\displaystyle=\frac{1}{e^{i\theta}-e^{-i\theta}}\sum_{n=1}^{\infty}\left(\frac{e^{in\theta}}{n^{s+1}}-\frac{e^{-in\theta}}{n^{s+1}}\right)$ $\displaystyle=\frac{1}{e^{i\theta}-e^{-i\theta}}\left\\{Z(s+1,e^{i\theta})-Z(s+1,e^{-i\theta})\right\\}$ $\displaystyle=\frac{1}{2i\sin\theta}\left\\{Z(s+1,e^{i\theta})-Z(s+1,e^{-i\theta})\right\\},$ and the right-hand side has meromorphic continuation to whole $s\in\mathbf{C}$. Note that we interpret $\frac{\sin(n\theta)}{n\sin\theta}=\left\\{\begin{array}[]{ll}1&\mbox{ if }\theta=0,\\\ (-1)^{n-1}&\mbox{ if }\theta=\pi.\end{array}\right.$ (16) ### 2.5 Proof of Theorem 1(2); vanishing For $g=\pm I_{2}$ and for positive even integer $m$, we obtain $\zeta_{SU(2)}^{W}(-m,\pm I_{2})=0$ from $\zeta(-m)=0$. For $g\neq\pm I_{2}$, suppose $0<\theta<\pi$. Then for a positive integer $m$, we have $\zeta_{SU(2)}^{W}(-m,g)=\frac{1}{2i\sin\theta}\left(Z(1-m,e^{i\theta})-Z(1-m,e^{-i\theta})\right).$ (17) This is zero for even $m$ by the formula (12). ### 2.6 Proof of Theorem 1(2), first derivative We see that $\frac{1}{\Gamma(s)}=\frac{s(s+1)}{\Gamma(s+2)}$ (18) shows that $\frac{1}{\Gamma(s)}=-(s+1)+O((s+1)^{2}),\quad(s\to-1).$ (19) We again start from the formula (13) $e^{-\pi is/2}Z(s,x)+e^{\pi is/2}Z(s,x^{-1})=\frac{(2\pi)^{s}}{\Gamma(s)}\zeta(1-s,\frac{\theta}{2\pi})$ with $x=e^{i\theta}$. Taking $\left.\frac{\partial}{\partial s}\right|_{s=-1}$ in this formula, we have $\displaystyle i\frac{\partial Z}{\partial s}(-1,x)+(-i)\frac{\partial Z}{\partial s}(-1,x^{-1})$ $\displaystyle\quad+(-\pi i/2)(i)Z(-1,x)+(\pi i/2)(-i)Z(-1,x^{-1})=(2\pi)^{-1}(-1)\zeta(2,\frac{\theta}{2\pi}).$ Then $\displaystyle i\times 2i\sin\theta\times\frac{\partial\zeta_{SU(2)}^{W}}{\partial s}(-2,g)=-\pi Z(-1,e^{i\theta})-\frac{1}{2\pi}\zeta(2,\frac{\theta}{2\pi}),$ (20) and $\displaystyle 4\pi\sin\theta\times\frac{\partial\zeta_{SU(2)}^{W}}{\partial s}(-2,g)=2\pi^{2}L(-1,e^{i\theta})+\zeta(2,\frac{\theta}{2\pi})$ (21) We have $\zeta(2,t)+\zeta(2,1-t)=\frac{\pi^{2}}{\sin^{2}(\pi t)}$ (22) since the left-hand side is equal to $\sum_{n=0}^{\infty}\frac{1}{(n+t)^{2}}+\sum_{n=0}^{\infty}\frac{1}{(n+1-t)^{2}}=\sum_{n=-\infty}^{\infty}\frac{1}{(n+t)^{2}}$ (23) which is equal to the right-hand side. This shows $\displaystyle 8\pi\sin\theta\times\frac{\partial\zeta_{SU(2)}^{W}}{\partial s}(-2,g)=\zeta(2,\frac{\theta}{2\pi})-\zeta(2,1-\frac{\theta}{2\pi})>0$ (24) since $\frac{\theta}{2\pi}<1-\frac{\theta}{2\pi}$. ### 2.7 Proof of Theorem 1(3) $\zeta_{SU(2)}^{W}(-1,I_{2})=\zeta(-1)=-\frac{1}{12}$ (25) and $\displaystyle\zeta_{SU(2)}^{W}\left(-1,\left(\begin{array}[]{cc}e^{i\theta}&0\\\ 0&e^{-i\theta}\end{array}\right)\right)$ $\displaystyle=\frac{Z(0,x)-Z(0,x^{-1})}{x-x^{-1}}$ (28) $\displaystyle=\frac{-x}{(1-x)^{2}}=\frac{1}{4\sin^{2}(\theta/2)},$ (29) where $x=e^{i\theta}$ for all $0<\theta\leq\pi$. ### 2.8 An average over the group Let $G$ be a finite group. The normalized Haar measure $dg$ on $G$ is, by definition, $\int_{G}f(g)dg=\frac{1}{\left|G\right|}\sum_{g\in G}f(g).$ (30) Then we see that, for all $s\in\mathbf{C}$, $\displaystyle\int_{G}\zeta_{G}^{W}(s,g)dg=1,$ (31) since the left-hand side is equal to $\displaystyle=\sum_{\rho\in\widehat{G}}\left(\int_{G}{\operatorname{trace}}(\rho(g))dg\right)\deg(\rho)^{-s-1},$ (32) where the average is non-zero only for the trivial representation $\rho$. Now we consider the case where $G$ is a compact group which is not necessarily a finite group. Again let $dg$ be the normalized Haar measure of $G$ so that $\int_{G}dg=1$. We ask the value $\int_{G}\zeta_{G}^{W}(s,g)dg.$ (33) We can give some example; $\displaystyle\int_{SU(2)}\zeta_{SU(2)}^{W}(-2,g)dg$ $\displaystyle=0,$ (34) $\displaystyle\int_{SU(2)}\zeta_{SU(2)}^{W}(-1,g)dg$ $\displaystyle=1.$ (35) The latter formula is proved by the Weyl integral formula; $\displaystyle\int_{SU(2)}\zeta_{SU(2)}^{W}(-1,g)dg=\int_{0}^{\pi}\zeta_{SU(2)}^{W}(-1,\left(\begin{array}[]{cc}e^{i\theta}&0\\\ 0&e^{-i\theta}\end{array}\right))\frac{2}{\pi}\sin^{2}\theta\ d\theta=1.$ (38) ### 2.9 $r=2$ We now discuss the properties of a generalization of Witten zeta functions with several characters. We give a proof of Theorem 2. ###### Proof. ${\operatorname{trace}}(\rho(g_{1}))=\frac{x^{n}-x^{-n}}{x-x^{-1}},{\operatorname{trace}}(\rho(g_{2}))=\frac{y^{n}-y^{-n}}{y-y^{-1}}$ with $x=e^{i\theta_{1}}$, $y=e^{i\theta_{2}}$. In the cases $g_{2}=\pm I_{2}$, we have $\displaystyle\zeta^{W}_{SU(2)}(s,g_{1},I_{2})$ $\displaystyle=\zeta^{W}_{SU(2)}(s,g_{1}),$ (39) $\displaystyle\zeta^{W}_{SU(2)}(s,g_{1},-I_{2})$ $\displaystyle=\zeta^{W}_{SU(2)}(s,-g_{1}),$ (40) Then the problem on the special values is reduced to the case treated in Theorem 1(2). Now we may suppose $x,y\neq\pm 1$. Then $\displaystyle\zeta^{W}_{SU(2)}(s,g_{1},g_{2})$ $\displaystyle=\frac{1}{(x-x^{-1})(y-y^{-1})}\sum_{n=1}^{\infty}\frac{(xy)^{n}+(x^{-1}y^{-1})^{n}-(xy^{-1})^{n}-(x^{-1}y)^{n}}{n^{s+2}}$ (41) $\displaystyle=\frac{Z(s+2,xy)+Z(s+2,x^{-1}y^{-1})-Z(s+2,xy^{-1})-Z(s+2,x^{-1}y)}{(x-x^{-1})(y-y^{-1})}.$ This shows $\displaystyle\zeta^{W}_{SU(2)}(-2,g_{1},g_{2})$ $\displaystyle=\frac{(Z(0,xy)+Z(0,x^{-1}y^{-1}))-(Z(0,xy^{-1})+Z(0,x^{-1}y))}{(x-x^{-1})(y-y^{-1})}$ $\displaystyle=0,$ (42) where we have used the formula (11). ∎ ### 2.10 $r=3$ By the similar computation, we obtain $\displaystyle\zeta^{W}_{SU(2)}(s;g,g,g)$ $\displaystyle=\frac{Z(s+3,x^{3})-3Z(s+3,x)+3Z(s+3,x^{-1})-Z(s+3,x^{-3})}{(x-x^{-1})^{3}}.$ (43) If $x=i$, then $\zeta^{W}_{SU(2)}(-2;g,g,g)=\frac{4Z(1,-i)-4Z(1,i)}{(2i)^{3}}=\frac{-2\pi i}{-8i}=\frac{\pi}{4}\neq 0.$ ## 3 $SU(3)$ ### 3.1 On analytic continuation Let $G$ be a compact semisimple Lie group. Then the Witten zeta $\zeta_{G}^{W}(s)$ has a meromorphic continuation to $\mathbf{C}$. This is a special case of $\sum_{m_{1},\dots,m_{r}\geq 1}Q(m_{1},\dots,m_{r})P(m_{1},\dots,m_{r})^{-s}.$ (44) Analytic continuation of these zeta functions is discussed in [Mellin 1900], [Mahler 1928]. ### 3.2 A special value at a negative integer Let $n$ be a positive integer. Let $M=2n+2$, and suppose ${\operatorname{Re}}(s)>-n-\frac{1}{2}+\frac{\varepsilon}{2}$, with $\varepsilon>0$. By [Ma], we have $\displaystyle\zeta_{SU(3)}^{W}(s)$ $\displaystyle=2^{s}\sum_{m,n\geq 1}\frac{1}{m^{s}n^{s}(m+n)^{s}}$ (45) $\displaystyle=2^{s}\frac{\Gamma(2s-1)\Gamma(1-s)}{\Gamma(s)}\zeta(3s-1)$ $\displaystyle+2^{s}\sum_{k=0}^{M-1}(-1)^{k}\frac{s(s+1)\cdots(s+k-1)}{k!}\zeta(2s+k)\zeta(s-k)$ $\displaystyle+2^{s}\frac{1}{2\pi\sqrt{-1}}\int_{{\operatorname{Re}}(z)=2n+2-\varepsilon}\frac{\Gamma(s+z)\Gamma(-z)}{\Gamma(s)}\zeta(2s+z)\zeta(s-z)dz.$ Reminding $\left.\frac{\Gamma(2s-1)}{\Gamma(s)}\right|_{s=-n}=(-1)^{n-1}\frac{n!}{2(2n+1)!},$ (46) we can put $s=-n$ in this identity and obtain $\displaystyle\zeta_{SU(3)}^{W}(-n)$ $\displaystyle=2^{-n}(-1)^{n-1}\frac{n!n!}{2(2n+1)!}\zeta(-3n-1)$ $\displaystyle+2^{-n}\sum_{k=0}^{2n}(-1)^{k}\frac{(-n)(1-n)\cdots(k-1-n)}{k!}\zeta(-2n+k)\zeta(-n-k)$ $\displaystyle+2^{-n}(-1)\frac{(-n)(1-n)\cdots(-1)\cdot 1\cdots n}{(2n+1)!}\frac{1}{2}\zeta(-3n-1).$ (47) This shows $\zeta_{SU(3)}^{W}(-n)=0$ for a positive odd integer $n$, since $\zeta(-3n-1)=0$ and $\zeta(-2n+k)\zeta(-n-k)=0$ for $k=0,1,\dots,n$. On the other hand, for a positive even integer $n$, we have $\displaystyle\zeta_{SU(3)}^{W}(-n)$ $\displaystyle=-2^{-n}\frac{(n!)^{2}}{(2n+1)!}\zeta(-3n-1)$ $\displaystyle\qquad+2^{-n}\sum_{k=0}^{n}\binom{n}{k}\zeta(-2n+k)\zeta(-n-k)=0,$ (48) where the last equality follows from the following lemma: ###### Lemma 8. For a positive even integer $n$, we have $\sum_{k+l=n,k,l\geq 0}\frac{1}{k!l!}\zeta(-n-k)\zeta(-n-l)=\frac{n!}{(2n+1)!}\zeta(-3n-1).$ (49) Equivalently, $\sum_{k+l=n,k,l\geq 0}\frac{1}{k!l!}\frac{B_{n+1+k}}{n+1+k}\frac{B_{n+1+l}}{n+1+l}=-\frac{n!}{(2n+1)!}\frac{B_{3n+2}}{3n+2}.$ (50) This follows from [CW, Theorem 2] when we substitute $\alpha=\gamma=n-1$ and $\delta=\varepsilon=1$.∎ This concludes the proof of Theorem 3. ## 4 The groups over $\mathbf{Z}_{p}$ ### 4.1 $SL_{2}$ Let $p$ be an odd prime. We denote by $\mathbf{Z}_{p}$ the ring of integers in the non-archimedean local field $\mathbf{Q}_{p}$. Jaikin-Zapirain [J] obtains the following explicit formula: $\zeta_{SL_{2}(\mathbf{Z}_{p})}^{W}(s)=Z_{0}(s)+Z_{\infty}(s),$ (51) with $\displaystyle Z_{0}(s)$ $\displaystyle=\zeta_{SL_{2}(\mathbf{F}_{p})}^{W}(s)$ $\displaystyle=1+2\left(\frac{p-1}{2}\right)^{-s}+2\left(\frac{p+1}{2}\right)^{-s}+\frac{p-1}{2}\left(p-1\right)^{-s}$ $\displaystyle\qquad+p^{-s}+\frac{p-3}{2}(p+1)^{-s},$ (52) $\displaystyle Z_{\infty}(s)$ $\displaystyle=\frac{1}{1-p^{-s+1}}\left(4p\left(\frac{p^{2}-1}{2}\right)^{-s}+\frac{p^{2}-1}{2}(p^{2}-p)^{-s}\right.$ $\displaystyle\qquad\left.+\frac{(p-1)^{2}}{2}(p^{2}+p)^{-s}\right).$ (53) This deduces $\displaystyle Z_{0}(-2)$ $\displaystyle=p(p^{2}-1)=\left|SL_{2}(\mathbf{F}_{p})\right|=p(p+1)(p-1),$ (54) $\displaystyle Z_{\infty}(-2)$ $\displaystyle=-p(p^{2}-1),$ (55) $\displaystyle Z_{0}(-1)$ $\displaystyle=p(p+1),$ (56) $\displaystyle Z_{\infty}(-1)$ $\displaystyle=-p(p+1),$ (57) $\displaystyle Z_{0}(0)$ $\displaystyle=p+4,$ (58) $\displaystyle Z_{\infty}(0)$ $\displaystyle=-\frac{4}{p-1}-p-4.$ (59) This shows $\displaystyle\zeta_{SL_{2}(\mathbf{Z}_{p})}^{W}(-2)$ $\displaystyle=0,$ (60) $\displaystyle\zeta_{SL_{2}(\mathbf{Z}_{p})}^{W}(-1)$ $\displaystyle=0,$ (61) $\displaystyle\zeta_{SL_{2}(\mathbf{Z}_{p})}^{W}(0)$ $\displaystyle=-\frac{4}{p-1},$ (62) which concludes the proof of Theorem 4. ### 4.2 Congruence subgroups of $SL_{2}$ In this subsection, we assume that $p$ is an odd prime. By [AKOV], we obtain $\displaystyle\zeta_{SL_{2}(\mathbf{Z}_{p})[p^{m}]}^{W}(s)$ $\displaystyle=p^{3m+2}\frac{1-p^{-2-s}}{1-p^{1-s}}.$ (63) This shows $\displaystyle\zeta_{SL_{2}(\mathbf{Z}_{p})[p^{m}]}^{W}(-2)$ $\displaystyle=0,$ (64) $\displaystyle\zeta_{SL_{2}(\mathbf{Z}_{p})[p^{m}]}^{W}(-1)$ $\displaystyle=-p^{3m+1}/(p+1).$ (65) By taking an “absolute limit” $p\to 1$, we obtain $\displaystyle\zeta_{SL_{2}(\mathbf{Z}_{1})[1^{m}]}^{W}(s)$ $\displaystyle=\frac{s+2}{s-1}.$ (66) ### 4.3 Congruence subgroups of $SL_{3}$ and $SU_{3}$ In this subsection, we assume that $p$ is a prime with $p\neq 3$. By [AKOV], we have $\displaystyle\zeta_{SL_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(s)$ $\displaystyle=p^{8m}\frac{1+u(p)p^{-3-2s}+u(p^{-1})p^{-2-3s}+p^{-5-5s}}{(1-p^{1-2s})(1-p^{2-3s})},$ (67) where $u(X)=X^{3}+X^{2}-X-1-X^{-1}$. We notice that it can be factorized as $\displaystyle\zeta_{SL_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(s)$ $\displaystyle=p^{8m}\frac{(1-p^{-2-s})(1-p^{-1-s})}{(1-p^{1-2s})(1-p^{2-3s})}$ $\displaystyle\times\left(1+(p^{-1}+p^{-2})p^{-s}+(1+p^{-1})p^{-2s}+p^{-2-3s}\right).$ (68) We see that $\zeta_{SL_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(-2)=\zeta_{SL_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(-1)=0.$ The formula (68) shows $\lim_{p\to 1}\zeta_{SL_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(s)=\frac{(s+1)(s+2)}{(s-\frac{1}{2})(s-\frac{2}{3})},$ (69) which is considered to be “an absolute Witten zeta function $\zeta_{SL_{3}(\mathbf{Z}_{1})[1^{m}]}^{W}(s)$”. Also by [AKOV], $\displaystyle\zeta_{SU_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(s)$ $\displaystyle=p^{8m}\frac{1+u(p)p^{-3-2s}+u(p^{-1})p^{-2-3s}+p^{-5-5s}}{(1-p^{1-2s})(1-p^{2-3s})}$ (70) $\displaystyle=p^{8m}\frac{(1-p^{-2-s})(1-p^{-s})(1+p^{-1-s})}{(1-p^{1-2s})(1-p^{2-3s})}$ $\displaystyle\quad\times\left(1+(1-p^{-1}+p^{-2})p^{-s}+p^{-2-2s}\right),$ (71) where $u(X)=-X^{3}+X^{2}-X+1-X^{-1}$. This shows $\zeta_{SU_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(-2)=\zeta_{SU_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(0)=0,$ while $\zeta_{SU_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(-1)=2p^{8m-2}\frac{p-1}{p^{5}-1}=2p^{8m-2}\frac{1}{[5]_{p}}$ (72) is non-zero where $[n]_{p}=\frac{p^{n}-1}{p-1}$ is a $p$-analogue of an integer $n$. This shows $\lim_{p\to 1}\zeta_{SU_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(-1)=\frac{2}{5}.$ (73) By the formula (71), we have $\lim_{p\to 1}\zeta_{SU_{3}(\mathbf{Z}_{p})[p^{m}]}^{W}(s)=\frac{s(s+2)}{(s-\frac{1}{2})(s-\frac{2}{3})}.$ ## References * [AKOV] Nir Avni, Benjamin Klopsch, Uri Onn, and Christopher Voll, On representation zeta functions of groups and a conjecture of Larsen-Lubotzky, C. R. Acad. Sci. Paris, Ser. I, 348 (2010) 363–367. * [AKOV2] Nir Avni, Benjamin Klopsch, Uri Onn, and Christopher Voll, Representation zeta functions of some compact p-adic analytic groups, arXiv:1011.6533. * [C] H. B. G. Casimir, On the attraction between two perfectly conducting plates. Proc. Kon. Ned. Acad. Wetenschap 51, 793–795 (1948). * [CW] Venchang Chu and Chenying Wang, Convolution formulae for Bernoulli numbers, Integral Transforms and Special Functions, 21 no. 6, (2010), 437–457. * [E1] L. Euler, De summis serierum reciprocarum (written in 1735), Commentarii academiae scientiarum Petropolitanae 7 (1740), 123–134; Opera Omnia: Series 1, Volume 14, pp. 73–86. * [E2] L. Euler, Remarques sur un beau rapport entre les séries des puissances tant directes que réciproques (written in 1749), Memoires de l’academie des sciences de Berlin 17 (1768) 83–106; Opera Omnia: Series 1, Volume 15, pp. 70–90. * [H] S.W. Hawking, Zeta function regularization of path integrals in curved space time, Comm. Math. Phys. 55 (1977), 133–148. * [J] A. Jaikin-Zapirain, Zeta function of representations of compact p-adic analytic groups. J. Amer. Math. Soc. 19 (2006), 91–118. * [Jo] A. Jonquière, Note sur la séries $\sum_{n=1}^{\infty}\frac{x^{n}}{n^{s}}$, Bull. Soc. Math. France 17 (1889), 142–152. * [L] M. Larsen, Determining a semisimple group from its representation degrees. Internat. Math. Res. Notes 2004 (2004), 1989–2016. * [LL] M. Larsen and A. Lubotzky, Representation growth of linear groups. J. Eur. Math. Soc. (JEMS) 10 (2008), 351–390. * [Mah] K. Mahler, Über einen Satz von Mellin, Math. Ann. 100 (1928), 384–398. * [Ma] K. Matsumoto, On analytic continuation of various multiple zeta-functions, In “Number Theory for the Millennium II, Proc. of the Millennial Conference on Number Theory”, M. A. Bennett et al. (eds.), A K Peters, 2002, 417–440. * [Me] H. Mellin, Eine Formal für den Logarithmus transcendenter Funktionen von endlichem Geschlecht, Acta Soc. Sci. Fenn., 29 (1900), no. 4. * [M] J. Milnor, On polylogarithms, Hurwitz zeta functions, and the Kubert identities, Enseign. Math. (2) 29 (1983), no. 3–4, 281–322. * [W] E. Witten, On quantum gauge theories in two dimensions, Comm. Math. Phys. 141 (1991), 153–209. * [Z] D. Zagier, Values of zeta functions and their applications. In First European Congress of Mathematics, Vol. II (Paris, 1992), Progr. Math. 120, Birkhäuser, Basel 1994, 497–512. Nobushige KUROKAWA Department of Mathematics, Tokyo Institute of Technology, Oh-Okayama, Meguro, Tokyo, 152-8551, Japan. [email protected] Hiroyuki OCHIAI Faculty of Mathematics, Kyushu University, Motooka, Fukuoka, 819-0395, Japan. [email protected]
arxiv-papers
2013-04-12T05:59:01
2024-09-04T02:49:44.253885
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Nobushige Kurokawa and Hiroyuki Ochiai", "submitter": "Hiroyuki Ochiai", "url": "https://arxiv.org/abs/1304.3543" }
1304.3558
# Warped Alternatives to Froggatt-Nielsen Models Abhishek M Iyer [email protected] Centre for High Energy Physics, Indian Institute of Science, Bangalore 560012 Sudhir K Vempati [email protected] Centre for High Energy Physics, Indian Institute of Science, Bangalore 560012 ###### Abstract We consider the Randall-Sundrum (RS) set-up to be a theory of flavour, as an alternative to Froggatt-Nielsen (FN) models instead of as a solution to the hierarchy problem. The RS framework is modified by taking the low energy brane to be at the GUT scale. This also alleviates constraints from flavour physics. Fermion masses and mixing angles are fit at the GUT scale. The ranges of the bulk mass parameters are determined using a $\chi^{2}$ fit taking in to consideration the variation in $\mathcal{O}(1)$ parameters. In the hadronic sector, the heavy top quark requires large bulk mass parameters localising the right handed top quark close to the IR brane. Two cases of neutrino masses are considered (a) Planck scale lepton number violation and (b) Dirac neutrino masses. Contrary to the case of weak scale RS models, both these cases give reasonable fits to the data, with the Planck scale lepton number violation fitting slightly better compared to the Dirac case. In the Supersymmetric version, the fits are not significantly different except for the variation in $\tan\beta$. If the Higgs superfields and the SUSY breaking spurion are localized on the same brane then the structure of the sfermion masses are determined by the profiles of the zero modes of the hypermultiplets in the bulk. Trilinear terms have the same structure as the Yukawa matrices. The resultant squark spectrum is around $\sim 2-3~{}\text{TeV}$ required by the light Higgs mass to be around 125 GeV and to satisfy the flavour violating constraints. ###### pacs: 73.21.Hb, 73.21.La, 73.50.Bk ## I Introduction One of the celebrated solutions of the fermion flavour problem is the Froggatt-Nielsen Mechanism FN . According to this prescription, the symmetry group of the Standard Model (SM) is augmented by a horizontal $U(1)_{X}$ group under which all the SM fermions and the Higgs field are charged. The effective theory includes a flavon field $X$ and the Yukawa couplings are generated from the higher dimensional operators which are invariant under the $U(1)_{X}$ and the Standard Model (SM) gauge group. For example, the up-type quark mass matrix has the form: $Y^{u}_{ij}(\frac{X}{M_{Pl}})^{c_{Q_{i}}+c_{u_{j}}+c_{H_{u}}}Q_{i}H_{u}U_{j}$, where $c_{f}$ is $U(1)_{X}$ charge of the $f$ field and $i,j$ are the generation indices. The flavon field $X$ develops a vacuum expectation value (vev) such that $0.22\approx\lambda_{c}\approx<X>/M_{Pl}$, $\lambda_{c}$ being the Cabibbo angle. $Y^{u}_{ij}$ are taken to be $\mathcal{O}(1)$ parameters. Fermion mass matrices including their mixing patterns can be fit to the data by choosing appropriate $U(1)_{X}$ charges for various fields. An UV completion of the model can be constructed by including heavy chiral fermions in to the theory; integrating these heavy fields would lead to the relevant non-renormalizable operators (for a review, see Babu ). The $U(1)_{X}$ symmetry introduces additional anomalies in to the theory and subsequently, strong constraints on the $U(1)_{X}$ charges for various fields. In supersymmetric models with a single flavon field, one typically has to resort to Green-Schwarz (GS) mechanism to cancel the anomalies. The solution set of $U(1)_{X}$ charges for the fermions and the Higgs which satisfy the fermion data as well as the anomaly cancellation111 However, with two singlet flavons there exist a unique solution which is completely non anomalous Dudas:U(1) requirement have been studied in Dudas:U(1) ; ibarra ; king ; Ibanezross ; Binetruy1 ; Binetruy2 ; Chun ; Dreiner1 ; Dreiner2 ; King:2004tx ; Ellis ; Joshipura:2000sn and recently updated in lavignac . These models typically lead to large flavour violations at the weak scale in gravity mediated supersymmetry breaking models due to contributions from the $U(1)_{X}$ D-terms. While the constraints from the flavour sector on the available solutions are very tight, it may still be possible to ease them without requiring the superpartner masses to be very high Lalak ; Varzielas . The flavour constraints may also be alleviated to some extent by considering $U(1)\times U^{\prime}(1)$ class of models Leurer ; flavour . In the present work, we will study the extra-dimensional alternative ArkaniHamed to understand the flavour hierarchy in particular concentrating on the supersymmteric Randall-Sundrum (RS) set up. The Randall-Sundrum framework RS which elegantly provides a solution to the hierarchy problem via warping in the extra dimensional space can also thought to be a theory of flavour. It has been observed sometime ago that the flavour changing neutral currents (FCNC) can be suppressed due to the so-called RS-GIM mechanism RSGIM . However, in the absence of additional flavour symmetries the constraints from FCNC are still very strong(Huber ; Agashe ; Delaunay ; Petriello ; AgasheSundrum ) (Detailed analysis for the hadronic sector can be found in Neubert1 ; Neubert2 and references there in. For a recent thorough analysis in the leptonic sector, please see iyer ). Given these strong constraints on the RS set up at the weak scale, one can ask the question whether RS is suitable to be a theory of flavour as well as a solution to the hierarchy problem simultaneously. It might be that RS as a theory of a flavour might be better suited at the GUT scale rather than at the weak scale. The Froggatt-Nielsen models are typically defined at scales closer to the Planck scale, so perhaps flavour physics might have its origins at the Planck scale. With this rationale, in the present work we will consider RS to span between the Planck and the GUT scales. The fermion masses are fit in terms of the bulk mass parameters of the various fields, which take the role of the $U(1)_{X}$ charges of the FN mechanism. However, these parameters are less constrained compared to the $U(1)_{X}$ charges, as no additional conditions such as anomaly cancellations are required on them. While this has been the common understanding, in Dudas it was pointed out that imposing unification conditions on gauge couplings in a theory with localization of fermions or hierarchical wave functions leads to strong constraints which are exactly in the same way as the Green-Schwarz anomaly cancellation conditions Greenschwarz 222Typically applied in FN models, the Green-Schwarz anomaly cancellation conditions requires the anomaly factors to be in a particular ratio such that they are cancelled in String theory. In the present setup we do not impose these conditions. Extra dimensions at GUT scale were considered in Hallnomura while the RS version was considered by the authors in choi1 ; choi2 and later by the authors in Dudas . Our work, however, is very closely related to the work of Brummer who have done a thorough analysis of fermion mass spectrum, weak scale supersymmetric spectrum and flavour phenomenology, assuming a particular Grand Unified Theory (GUT) model in such a RS setting. However, differences exist. In the present work we have not assumed any specific GUT model. Furthermore, we have used a frequentist approach to do the fermion mass fitting. While this makes it hard to directly compare the results between the two works, we hope they provide a complementary set of results. We also have taken in to consideration the constraints from neutrino masses and mixing angles which can have a significant effect on the lepton flavour violation and slepton decays. The equivalent description for the RS set up in four dimensions can be thought of as a composite Higgs coupled to fermions with couplings which parameterise the ‘partial compositeness’ of the fermionsRattazzi . In SUSY case, this partial compositeness can also affect the structure of the soft masses. In the first part of our work, our aim has been to provide a range of bulk mass parameters which fit the fermion masses and mixing patterns at the GUT scale. We believe this can be useful for model builders and other phenomenologists working in flavour physics and looking for an alternative to FN models. We have considered both supersymmetric as well as non supersymmetric versions of the RS framework at the GUT scale while fitting the data. The supersymmetric case has the added advantage that it could lead to observable signatures at the weak scale. We consider the case where SUSY breaking is considered to be on the same brane as where the Higgs is localized, which is the GUT brane. In this case, the sfermion mass matrices are determined by the zero mode profiles of the corresponding N=1 superfields and thus the information of the fermion masses is propagated in to the soft sector. It is far more striking for the A-terms which follow the same structure as the Yukawa couplings. The spectrum is highly non-universal at the high scale, but, its pattern is constrained due to the ranges of bulk mass parameters which are in turn are fixed by their fits to fermion masses. The running effects make the diagonal terms large at the weak scale. The rest of the paper is organized as follows. In section II, we detail the RS setup we consider and derive the structure of the fermion masses. In section III we present the fermion mass fits and present the ranges for the bulk mass parameters for both the non-supersymmetric and the supersymmetric cases. In section IV we address the issue of supersymmetric breaking and derive supersymmetric spectrum for a particular supersymmetric breaking case. We end with summary and outlook in the last section. In Appendices A , Band C, we have presented plots relevant for fermion mass fits. ## II RS as a theory of flavour The Randall-Sundrum frame work consists of two branes separated by an single warped extra dimension RS . The line element for the RS background is given as $ds^{2}=e^{-2ky}\eta_{\mu\nu}dx^{\mu}dx^{\nu}-dy^{2}$ (1) where $0\leq y\leq\pi R$. Here $y=0$ is identified as the position of the UV brane and $y=\pi R$ is the position of the IR brane. The scale associated with physics on the UV brane is $M_{Pl}$ while that on the IR brane is TeV. The solution to the hierarchy problem is achieved by exponential warping of scales i.e, $M_{Pl}=e^{kR\pi}~{}M_{\text{weak}}$, where $kR\sim\mathcal{O}(11)$. In the modified set up we consider here, the scale associated with the IR brane is $M_{GUT}$. This can be achieved by choosing $kR\sim 1.5$. We define the hierarchy between the scales, $\epsilon$, for this scenario to be $\epsilon=\frac{M_{GUT}}{M_{Planck}}\sim 10^{-2}$ (2) We consider both supersymmetric and non-supersymmetric matter fields to propagate in the bulk. Localisation of the respective zero modes is dependent on the corresponding bulk masses. In both the cases, we assume that the Higgs field (two Higgs fields in the case of supersymmetric models) are localised on the GUT brane. We now proceed to briefly review the derivation of the mass matrices and their dependence on the zero mode profiles in both supersymmetric and non-supersymmetric cases. A couple of points are important to note at this juncture. Firstly, the typical lowest KK mass for a warped background is given as $m_{KK}=e^{-kR\pi}k$. In the present set up, the ‘large’ warp factor ensures the lowest KK modes are very heavy i.e, $m_{KK}=\epsilon k\sim M_{GUT}$ and thus are decoupled from low energy phenomenology. We do not consider their effects in this work for low energy phenomenology. Secondly, it turns out that the dependence of the zero mode mass matrices on the profiles is very similar in supersymmetric and non-supersymmetric cases. However, the fermion mass data at the high scale in the supersymmetric case could be different from the SM one, due to the dependence on tan$\beta$ as well as the different RGE for the Yukawa coupling as we will discuss in the next section. ### II.1 Standard Model case The non-supersymmetric case or the Standard Model case has been studied in many works Neubert1 ; Neubert2 ; Huber ; iyer . The main difference in the present case is that while those studies have considered a $kR\sim\mathcal{O}(11)$, while in the present case it is $\mathcal{O}(1)$. We thus assume a grand desert from the weak scale to the GUT scale, where RS framework sets in. No attempt is made to solve the hierarchy problem, but the flavour problem has a solution in terms of the localisation of the fields in an extra dimension at the GUT scale. We follow the notation of iyer and present the final formulae for the Yukawa mass matrices. The details of the KK expansion and the corresponding ortho-normal relations can be found in iyer and references therein. The five dimensional action has the form: $\displaystyle S$ $\displaystyle=$ $\displaystyle S_{\text{kin}}+S_{\text{Yuk}}+S_{\nu}+S_{higgs}$ $\displaystyle S_{kin}$ $\displaystyle=$ $\displaystyle\int d^{4}x\int dy~{}\sqrt{-g}~{}\left(~{}\bar{L}(i\not{D}-m_{L})L+\bar{E}(i\not{D}-m_{E})E+\ldots~{}\right)$ $\displaystyle S_{\text{Yuk}}$ $\displaystyle=$ $\displaystyle\int d^{4}x\int dy~{}\sqrt{-g}\left(~{}Y_{U}\bar{Q}U\tilde{H}+Y_{D}\bar{Q}DH+Y_{E}\bar{L}EH\right)\delta(y-\pi R)$ $\displaystyle S_{\nu}$ $\displaystyle=$ $\displaystyle\int d^{4}x\int dy~{}\sqrt{-g}\left(\frac{\mathbf{\kappa}}{\Lambda^{(5)}}LHLH~{}~{}\text{{or}}~{}~{}Y_{N}\bar{L}NH\right)\delta(y-\pi R)$ (3) where we used the standard notation with the $Q,U,D$ standing for the quark doublets, up-type and down type singles respectively, $L$ and $E,N$ stand for leptonic doublets and charged and neutral singlets respectively. $H$ stands for the Higgs doublet with $\tilde{H}=i\sigma H^{\star}$. We have suppressed the Higgs action in the above. Two specific ways for generating non-zero neutrino masses are considered (a) by a higher dimensional term localised at the GUT brane and (b) Dirac neutrino mass terms similar to the other fermions. $\Lambda^{(5)}$ is the five dimensional reduced Planck scale $\sim 2\times 10^{18}$ GeV. After the Kaluza-Klein (KK) reduction and imposing the orthonormal conditions, we can derive the 4D mass matrices for the zero-modes of the fermion fields. They have the form: $\displaystyle({\mathcal{M}}_{F})_{ij}$ $\displaystyle=$ $\displaystyle\frac{v}{\sqrt{2}}({Y}_{F}^{\prime})_{ij}e^{(1-c_{i}-c^{\prime}_{j})kR\pi}~{}\xi(c_{i})~{}\xi(c^{\prime}_{j})\;\;\;;\;\;$ $\displaystyle\xi(c_{i})$ $\displaystyle=$ $\displaystyle\sqrt{\frac{(0.5-c_{i})}{e^{(1-2c_{i})\pi kR}-1}},$ (4) where $F$ stands for all the Yukawa matrices $F=U,D,E$ and $N$, if the neutrinos have Dirac masses. $c_{i}$ and $c^{\prime}_{j}$ represent the bulk masses of the respective matter fields (second line of eq.(II.1)); defined as, for example, $m_{E_{i}}=c_{E_{i}}k$. $i,j$ denote the generation indices. If the neutrinos have Dirac masses then their mass matrix is given by Eq.(II.1). In case the neutrinos attain their masses through higher dimensional operator, the mass matrix is given by $({\mathcal{M}}_{\nu})_{ij}=\frac{v^{2}}{2\Lambda^{(5)}}(\kappa^{\prime})_{ij}e^{(2-c_{L_{i}}-c_{L_{j}})kR\pi}\xi(c_{L_{i}})\xi(c_{L_{j}})$ (5) In Eqs. (II.1, 5), we have defined $Y^{\prime}=kY$ and $\kappa^{\prime}=2k\kappa$. These are dimensionless $\mathcal{O}(1)$ parameters of anarchical nature333 Note that the Yukawa couplings in Eq.(9) are dimensionful, with mass dimensions -1.. Eq.(II.1) are used to fit all the fermion mass data at the GUT scale i.e, up and down type quark masses and the (Cabibbo-Kobayashi-Masakawa) CKM matrix, charged lepton masses, neutrino mass differences and the corresponding PMNS mixing matrix. In the case neutrinos get their masses through higher dimensional operator, Eq. (5) is used instead to fit their mass differences and mixing angles. ### II.2 Supersymmetric case In the supersymmetric case, the matter fermions are represented by hyper- multiplets444 N=1 Supersymmetry in 5D has the particle content of N=2 Supersymmetry in 4D. The hypers can be expressed in N=1, 4D language as two chiral superfields, where as the Vectors can be expressed as a vector and chiral superfield Marti ; ArkaniHamed:2001tb . propagating in the bulk. In terms of the 4D, N=1 SUSY language, they can be expressed as two N=1 chiral multiplets, $\Phi,\Phi^{c}$. Following Marti ; Gherghetta1 , we write the 5D action in terms of two chiral fields with a (supersymmetric) bulk mass term to be $S_{5}=\int d^{5}x\left[\int d^{4}\theta e^{-2ky}\left(\Phi^{\dagger}\Phi+\Phi^{c}\Phi^{c\dagger}\right)+\int d^{2}\theta e^{-3ky}\Phi^{c}\left(\partial_{y}+M_{\Phi}-\frac{3}{2}k\right)\Phi\right]$ (6) where $M_{\Phi}=c_{\Phi}k$ is the bulk mass. In writing the above, the radion field is suppressed by taking its vacuum expectation value, $<Re(T)>=R$. The super field $\Phi^{c}$ is taken to be odd under $Z_{2}$. Thus, only $\Phi$ has a zero mode. Since we have a theory at the GUT scale, the KK modes can be considered to be decoupled from theory. In the effective theory, the profile of the zero mode of the $\Phi$ is determined byMarti $\left(\partial_{y}-\left(\frac{3}{2}-c\right)k\right)f^{(0)}=0$ (7) Thus $f^{(0)}=e^{(\frac{3}{2}-c)ky}$. The superscript (0) stands for the zero mode, which we will drop subsequently555In the component form, the scalar component and the fermion components of the chiral super field $\Phi$ have different bulk masses. However, the solution for the profile for the scalar and the fermion components turns out to be the same. . In this effective theory, where the higher KK modes are completely decoupled, we can write the effective 4-D Kähler terms for the $Z_{2}$ even zero modes as Dudas ; choi1 ; choi2 $\displaystyle\mathcal{K}^{(4)}$ $\displaystyle=$ $\displaystyle\int dy\left(e^{(1-2c_{q_{i}})ky}Q^{\dagger}_{i}Q_{i}+e^{(1-2c_{u_{i}})ky}U^{\dagger}_{i}U_{i}+e^{(1-2c_{d_{i}})ky}D^{\dagger}_{i}D_{i}+\ldots\right),$ (8) where we have substituted for the profile solutions of (7). After integrating over the extra dimension $y$, the terms in Eq.(8) pick up a factor $Z_{F}=\frac{1}{(1-2c_{F})k}\left(\epsilon^{2c_{F}-1}-1\right)$ where $F=Q,U,D,L,E$, as before. We choose to work in a basis in which the Kähler terms are canonically normalized. We thus re-define the fields as $\Phi\rightarrow\frac{1}{\sqrt{Z_{F}}}\Phi$. The effective four dimensional MSSM Yukawa couplings are determined from the superpotential terms written on the boundary. For Higgs localized on the IR brane, keeping only the zero modes of the chiral superfields, the effective four dimensional superpotential is given as Dudas ; Marti $\displaystyle\mathcal{W}^{(4)}$ $\displaystyle=$ $\displaystyle\int dye^{-3ky}\left(e^{(\frac{3}{2}-c_{q_{i}})ky}e^{(\frac{3}{2}-c_{u_{j}})ky}Y^{u}_{ij}H_{U}Q_{i}U_{j}+e^{(\frac{3}{2}-c_{q_{i}})ky}e^{(\frac{3}{2}-c_{d_{j}})ky}Y^{d}_{ij}H_{D}Q_{i}D_{j}\right.$ (9) $\displaystyle+$ $\displaystyle\left.e^{(\frac{3}{2}-c_{L_{i}})ky}e^{(\frac{3}{2}-c_{E_{j}})ky}Y^{E}_{ij}H_{D}L_{i}E_{j}+\ldots\right)\delta(y-\pi R)$ The Higgs fields are canonically normalized as $H_{u,d}\rightarrow e^{kR\pi}H_{u,d}$. In the canonical basis, after the fields have been redefined the fermion mass matrices can be derived from Eq. (9) to be $\displaystyle(\mathcal{M}_{F})_{ij}=\frac{v_{u,d}}{\sqrt{2}}Y^{\prime}_{ij}e^{(1-c_{i}-c^{\prime}_{j})kr\pi}\xi(c_{i})\xi(c^{\prime}_{j})$ (10) where $c_{i},c^{\prime}_{j}$ denote the bulk mass parameters for various fields. $\xi(c_{i})$ are defined in Eq.(II.1) The mass matrix in Eq.(10) can be approximated as $(\mathcal{M}_{F})_{ij}\sim\frac{v_{u,d}}{\sqrt{2}}\mathcal{O}(1)e^{(1-c_{i}-c^{\prime}_{j})kr\pi}$ where the $\xi(c)$ is absorbed into the $\mathcal{O}$(1) parameters $Y^{\prime}$ and is now collectively referred to as $\mathcal{O}$(1). This is true only as long as the $c$ parameter lies between 0 and 1. But as we have seen earlier, in some realistic cases especially related to neutrino masses and the top quark, the values of $|c|$ could be large to fit the data. Redefining the $\mathcal{O}$(1) Yukawa by absorbing the c parameters would shift the ranges of the $c$ parameters far away from what they are, especially in the case where $|c|\geq 1$. As in the SM case, we define dimensionless $\mathcal{O}(1)$ Yukawa couplings as $Y^{\prime}=2kY$ and are of anarchical nature. While the Dirac masses for the neutrinos have the same structure as the other fermion mass matrices, the higher dimensional operator has a different form determined by the super-potential term $\displaystyle\mathcal{W}^{(4)}=\int dy\delta(y-\pi R)e^{-3\sigma(y)}\left(e^{(\frac{3}{2}-c_{L_{i}})ky}e^{(\frac{3}{2}-c_{L_{j}})ky}\frac{\kappa_{ij}}{\Lambda^{(5)}}H_{U}H_{U}L_{i}L_{j}\right)$ (11) The neutrino mass matrix in this case is given as $(\mathcal{M}_{\nu})_{ij}=\kappa^{\prime}_{ij}\frac{v_{u}^{2}sin^{2}(\beta)}{2\Lambda^{(5)}}e^{(2-c_{L_{i}}-c_{L_{j}})kR\pi}\xi(c_{L_{i}})\xi(c_{L_{j}})$ (12) where $\kappa^{\prime}=2k\kappa$ is the dimensionless $\mathcal{O}$(1) parameters. The fermion mass matrices carry the same form as in the SM and the supersymmetric cases and thus their dependence on $c_{i}$ and $\mathcal{O}(1)$ parameters is the same. ## III Fermion Mass fits From the previous section, we have seen that in addition to the bulk mass parameters, the $\mathcal{O}(1)$ Yukawa parameters also play a role in fixing the fermion masses and mixing angles. We fit the masses and the mixing angles of the quark sector and the neutrino sector at the GUT scale for both the SM and the supersymmetric cases. We will use a frequentist approach, i.e, we minimise the $\chi^{2}$ function, which is defined as follows: $\chi^{2}=\sum_{j=1}^{N}\left(\frac{y_{j}^{exp}-y_{j}^{theory}}{\sigma_{j}}\right)^{2}$ (13) where, $y_{j}^{theory}$ is the theory number for the $j^{th}$ observable and $y_{j}^{exp}$ is its corresponding number quoted by experiments with a measurement uncertainty of $\sigma_{j}$. In the present case the theory parameters are just the bulk mass parameters and the $\mathcal{O}(1)$ Yukawa entries in supersymmetric and non-supersymmetric cases. We define $0<\chi^{2}<10$ to be a good fit and we try to find regions in the parameters space of bulk mass parameters and $\mathcal{O}(1)$ Yukawa parameters which satisfy this condition666We will mention the results with lower $\chi^{2}$ at relevant places.. The $\mathcal{O}(1)$ Yukawa parameters are varied between -4 and 4, with a lower bound of 0.08 on $|Y|$ to avoid unnaturally small Yukawa parameters. As far as the bulk mass parameters are concerned, since they are given as $ck$, we prefer to vary the $c$ parameters between $-1$ to $1$, so as not to go beyond the 5D cut-off, $k$. This will remove any possible inconsistencies in the theory due to non-perturbative Yukawa couplings. However, as we will see it is not always possible to fit the data within this range of $c$ parameters. We will mention the range chosen specifically for each case. The minimization of the $\chi^{2}$ function was performed using MINUIT minuit . We can minimise the hadronic and the leptonic sectors independently as they are dependent on different sets of parameters which are uncorrelated. The methodology is similar to the ones used in fermion mass fitting in GUT models Joshipura ; Altarelli and also the one used in iyer . ### III.1 Standard Model (SM) Case In this section, we present the fits in the SM case. For the GUT scale values of the quark and lepton masses and CKM mixing matrices, we use the results of xing . In the analysis of xing , two loop RGE have been used to run the Yukawa couplings of the up-type quarks, down-type quarks and charged leptons from the weak scale all the way up to the GUT scale. For the neutrino data we used the publicly available package REAP reap to compute the high scale values. The masses of the SM fermions at the GUT scale used in our fits are presented in Table 1. The CKM and PMNS mixing matrices are presented in Table 2. Table 1: GUT scale masses of fermions for the SM case Mass | Mass | Mass | Mass squared Differences ---|---|---|--- (MeV ) | (GeV) | MeV | $eV^{2}$ $m_{u}=0.48^{+0.20}_{-0.17}$ | $m_{c}=0.235^{+0.035}_{-0.034}$ | $m_{e}=0.4696^{+0.00000004}_{-0.00000004}$ | $\Delta m^{2}_{12}=1.5^{+0.20}_{-0.21}\times 10^{-4}$ $m_{d}=1.14^{+0.51}_{-0.48}$ | $m_{b}=1.0^{+0.04}_{-0.04}$ | $m_{\mu}=99.14^{+0.000008}_{-0.0000089}$ | $\Delta m_{23}^{2}=4.6^{+0.13}_{-0.13}\times 10^{-3}$ $m_{s}=22^{+7}_{-6}$ | $m_{t}=74.0^{+4.0}_{-3.7}$ | $m_{\tau}=1685.58^{+0.19}_{-0.19}$ | - Table 2: Mixing angles for the hadronic and the leptonic sector for the SM case mixing angles(CKM) | Mixing angles (PMNS) ---|--- $\theta_{12}=0.226^{+0.00087}_{-0.00087}$ | $\theta_{12}=0.59^{+0.02}_{-0.015}$ $\theta_{23}=0.0415^{+0.00019}_{-0.00019}$ | $\theta_{23}=0.79^{+0.12}_{-0.12}$ $\theta_{13}=0.0035^{+0.001}_{-0.001}$ | $\theta_{13}=0.154^{+0.016}_{-0.016}$ #### III.1.1 SM Quark Sector fits The up and down mass matrices are given in terms of fermion mass matrix of Eq.(II.1). The theory parameters which are varied simultaneously to minimise the $\chi^{2}$ in Eq.(13) include: three $c_{Q_{i}}$, each of $c_{u_{i}}$ and $c_{d_{i}}$ and 18 $\mathcal{O}(1)$ Yukawa parameters. We would expect that the light quarks would be localised close to the UV brane ( $c>1/2$ ) and the heavy quarks close to the IR brane ($c<1/2$). However, for this particular range of $\mathcal{O}(1)$ Yukawa parameters, it is difficult to fit the data for $|c|$ within unity. We thus enlarged the range for the $c$ parameters. The range chosen for the scan of the $c$ parameters chosen is: $-2<c_{Q_{1},Q_{2}}<4$, $-3<c_{Q_{3}}<1$ for the doublets. $-2<c_{d_{1},d_{2},d_{3}}<3.5$, for the down type singlets and $-2<c_{u_{1},u_{2}}<4$, $-4<c_{u_{3}}<1$ for the up type singlets. We fit the quark masses and the CKM mixing angles at the GUT scale. The top quark is definitely lighter at the GUT scale, but still we see that most of the points that fit the data lie outside of $|c|~{}\leq~{}1$. This is evident from the the negative values of the $c_{Q_{3}}$ and $c_{U_{3}}$ that fit the data. The regions of $c$ parameter space which satisfy the constraint of $0<\chi^{2}<10$ for the chosen scanning range are shown in Fig.(1) in Appendix A and the ranges are outlined in Table[3]. We see that the first two generation bulk mass parameters are concentrated on the positive $c$ values where as the third generation, the doublet and more so the right handed top is localised close to the GUT scale brane. Comparing these results with that of the normal RS, we find that the masses for the light quark fields can be fit with $c\sim 0.6-0.7$. This can be attributed to the large warping where $0.5<c<1$ is sufficient to reproduce the masses for light quarks Hubershafi . Table 3: Allowed range of $c$ parameters in the SM case. These parameters satisfy $0<\chi^{2}<10$ for the SM case. The corresponding figure is 1 in Appendix A. parameter | range | parameter | range | parameter | range ---|---|---|---|---|--- $c_{Q_{1}}$ | [0,3.0] | $c_{D_{1}}$ | [0.78,4] | $c_{U_{1}}$ | [-0.97,3.98] $c_{Q_{2}}$ | [-1.95,2.36] | $c_{D_{2}}$ | [0.39,3.02] | $c_{U_{2}}$ | [-1.99,2.43] $c_{Q_{3}}$ | [-3,1] | $c_{D_{3}}$ | [0.39,2.21] | $c_{U_{3}}$ | [-4,1.0] #### III.1.2 SM Leptonic Mass fits Unlike the quark case, the fits in the leptonic sector are far more difficult and more constraining due to the small mass differences and the large mixing in the neutrino sector. As mentioned, we will consider two different cases of neutrino masses while fitting the leptonic data. (a) LLHH higher dimensional operator Planck scale lepton number violation is an interesting idea which manifests itself with higher dimensional operator suppressed by the Planck scale. In four dimensions such an operator generates too small neutrino mases. It is typically used as a perturbation over an existing neutrino mass model umashankar . If not, it needs an enhancement of $\mathcal{O}(10^{3}-10^{4})$ to be consistent with the data. In the standard RS framework close to the weak scale with bulk fermions, this higher dimensional operator is still constrained however for different reasons. While the neutrino masses can be fit by placing the doublet fields $L$ close to the UV brane, the charged lepton masses become very tiny unless the singlet fields (E) are placed deep in the IRiyer . This leads to inconsistencies in the theory with large non- perturbative Yukawa couplings. The question arises whether the situation repeats itself when we consider the modified RS setup. This can be checked as follows. The neutrino masses are generated by the higher dimensional operator as given in Eq.(II.1). The corresponding neutrino mass matrix is given by Eq.(5) while the mass matrix for the charged leptons is given by Eq.(II.1). For simplicity assume $c_{L_{i}}=c_{L}\forall$ i. For $c_{L}<0.5$ the mass matrix in Eq.(5) becomes $m_{\nu}=\kappa^{\prime}\frac{v^{2}sin^{2}(\beta)}{2\epsilon\Lambda}(1-2c_{L})$ (14) It is clear that $c_{L}\sim-4$ is required to get neutrino masses $\mathcal{O}(0.04)$ eV for a warp factor for $\epsilon\sim 10^{-2}$. As $c_{L}$ increases, beyond 0.5, this formula is no longer valid, the neutrino masses become smaller and hence do not fit the neutrino mass data with $\mathcal{O}(1)$ Yukawa couplings. Thus a mildly negative $c_{L}$ should be able to fit the data without large inconsistencies. A second enhancement can also come from the $\kappa^{\prime}$, which is the corresponding $\mathcal{O}(1)$ Yukawa. With this in mind, we enhance the range of the scanning of the Yukawa couplings from $0.08$ to $4$ to $0.08$ to $10$. This would help us to accommodate $c_{L}$ values close to $\sim-1$. The final scanning ranges we have chosen are: the doublets ($c_{L_{i}}$) are varied between -1.5 and 0.5, while the charged singlets were scanned between 0 and 4. The region of $c$ values which give a good fit to leptonic masses, i.e, satisfying the constraint $0<\chi^{2}<10$, is presented in Table[4]. The plots for these ranges of $c$ values are presented in Figs.(2) in Appendix A. Table 4: Ranges for scanned regions of the bulk leptonic parameters for the LLHH in the SM case which satisfy $0<\chi^{2}<10$. parameter | range | parameter | range ---|---|---|--- $c_{L_{1}}$ | [ -1.5,-1.15] | $c_{E_{1}}$ | [2.8,4.0] $c_{L_{2}}$ | [-1.5,-0.97] | $c_{E_{2}}$ | [1.8,2.4] $c_{L_{3}}$ | [-1.5,-1.22] | $c_{E_{3}}$ | [1.2,1.69] (b)Dirac type Neutrinos The case of Dirac neutrinos is interesting possibility though it requires imposition of a global lepton number conservation777In fact, it is possible to hide lepton number violation in this case through a careful location of the right handed fermion fields planckgher . We will not consider this case here.. The running of the neutrino masses from the weak scale to high scale is different in this case. However with a normal hierarchy of neutrinos and low tan$\beta$ the differences are insignificantxing2 ; xing3 . Assuming that there is not much of a difference for normal hierarchy, we choose the following scanning range for the $c$ parameters. The doublets ($c_{L_{i}}$) and charged lepton singlets ($c_{E_{i}}$) are scanned within the range -1 to 4.5, while the neutrino singlets were scanned in the range 3.5 to 9. Such a large value of the bulk mass parameters for the singlets is needed to suppress the corresponding neutrino masses sufficiently. The $\mathcal{O}$(1) Yukawa parameters were varied between 0.08 and 4. Comparing the results of Dirac neutrino mass fits with that of the weak scale RS models,iyer , we find that the $c_{N}$ are roughly a factor $7-8$ larger compared to the $c_{N}$ at the weak scale. This is purely because of the weaker warp factor we are considering in the present case. Increasing the range of the $O(1)$ Yukawa parameters would only make things worse. The ranges for the $c$ values corresponding to SM fits with Dirac neutrinos case are presented Table[5]. The plots for the $c$ parameters are presented case in Fig[3] in Appendix A. Table 5: Ranges for the scanned regions of the bulk leptonic parameters for the Dirac case which satisfy $0<\chi^{2}<10$ for the SM case. parameter | range | parameter | range | parameter | range ---|---|---|---|---|--- $c_{L_{1}}$ | [ -1,2.9] | $c_{E_{1}}$ | [0.39,3.62] | $c_{N_{1}}$ | [5.29,8.97] $c_{L_{2}}$ | [-0.99,2.7] | $c_{E_{2}}$ | [-1.0,2.63] | $c_{N_{2}}$ | [5.31,8.99] $c_{L_{3}}$ | [-0.99,1.98] | $c_{E_{3}}$ | [-0.99,1.93] | $c_{N_{3}}$ | [5.12,8.97] ### III.2 Supersymmetric Case The analysis for the case with bulk supersymmetry is similar to the SM case. The GUT scale values are derived using the supersymmetric RGE at the two loop instead of the SM ones. For the neutrinos however, one loop RGE were used with experimental inputs at the weak scale. The running of the masses are not dependent on the mixing angles for a low tan$\beta$. Supersymmetry threshold corrections can play an important role while deriving the running masses. Running masses in the supersymmetric framework were obtained using the relevant matching conditions. As is well known, these effects are significant at large tan$\beta$ and the corrections to the neutrino running through $Y_{D}$ and $Y_{E}$ were considered Antusch . The GUT scale masses and mixings chosen for the scan corresponded to tan$\beta=10$ and are given in Table[6] and [7]. The results of the the scan i.e, the ranges for the $c$ parameters are weakly dependent on tan$\beta$ and can be applied for studying phenomenology for up to tan$\beta\sim 25$. Table 6: GUT scale Masses with supersymmetry for tan$\beta=10$ Mass | Mass | Mass | Mass squared Differences ---|---|---|--- (MeV ) | (GeV) | MeV | $eV^{2}$ $m_{u}=0.49^{+0.20}_{-0.17}$ | $m_{c}=0.236^{+0.037}_{-0.036}$ | $m_{e}=0.28^{+0.0000007}_{-0.0000007}$ | $\Delta m^{2}_{12}=1.6^{+0.20}_{-0.21}\times 10^{-4}$ $m_{d}=0.70^{+0.31}_{-0.31}$ | $m_{b}=0.79^{+0.04}_{-0.04}$ | $m_{\mu}=59.9^{+0.000005}_{-0.000005}$ | $\Delta m_{23}^{2}=3.2^{+0.13}_{-0.13}\times 10^{-3}$ $m_{s}=13^{+4}_{-0.4}$ | $m_{t}=92.2^{+9.6}_{-7.8}$ | $m_{\tau}=1021^{+0.1}_{-0.1}$ | - Table 7: Mixing angles for the quarks and leptons at GUT scale with supersymmetry for tan$\beta=10$ mixing angles(CKM) | Mixing angles (PMNS) ---|--- $\theta_{12}=0.226^{+0.00087}_{-0.00087}$ | $\theta_{12}=0.59^{+0.02}_{-0.015}$ $\theta_{23}=0.0415^{+0.00019}_{-0.00019}$ | $\theta_{23}=0.79^{+0.12}_{-0.12}$ $\theta_{13}=0.0035^{+0.001}_{-0.001}$ | $\theta_{13}=0.154^{+0.016}_{-0.016}$ #### III.2.1 Quark Case The range chosen for the scan are the same as that for the SM case i.e. $-2<c_{Q_{1},Q_{2}}<4$, $-3<c_{Q_{3}}<1$ for the doublets. $-2<c_{d_{1},d_{2},d_{3}}<3.5$, for the down type singlets and $-2<c_{u_{1},u_{2}}<4$, $-4<c_{u_{3}}<1$ for the up type singlets. The regions of $c$ parameter space which satisfy the constraint of $0<\chi^{2}<10$ for the chosen scanning range are shown in Fig.(4) in Appendix B and the ranges are outlined in Table[8]. Table 8: Ranges for the scanned regions of bulk hadronic parameters which satisfy $0<\chi^{2}<10$ for the supersymmetric case. parameter | range | parameter | range | parameter | range ---|---|---|---|---|--- $c_{Q_{1}}$ | [-0.16,3.12] | $c_{D_{1}}$ | [-0.5,4] | $c_{U_{1}}$ | [-1.6,4.0] $c_{Q_{2}}$ | [-1.32,2.34] | $c_{D_{2}}$ | [-1.9,2.5] | $c_{U_{2}}$ | [-2,2.4] $c_{Q_{3}}$ | [-3,1] | $c_{D_{3}}$ | [-2,1.7] | $c_{U_{3}}$ | [-4,1.0] #### III.2.2 Leptonic case Similar to the SM scenario two cases of neutrino mass generation are considered. The GUT scale input values for the $\chi^{2}$ is given in Table[6] and [7]. (a)LLHH case The results of the scan of the LLHH case is very similar for both the SM case and the supersymmetric case. The expression for the neutrino mass matrix is given in Eq.(12). For the neutrino sector we allow the $\mathcal{O}$(1) Yukawa coupling to vary between -10 and 10 with a minimum of 0.08 while that for the charged leptons are varied between -4 and 4 with a minimum of 0.08. The doublets were scanned between -1.5 and 0.5 while the charged singlets were scanned between 0 and 4. The ranges for the $c$ parameters for the LLHH case for the chosen scanning range satisfying the constraint $0<\chi^{2}<10$, is presented in Table[9] and the plots for the $c$ values are presented in Figs.(5) in Appendix B. Table 9: Ranges for scanned regions of the bulk leptonic parameters for the LLHH scenario in the supersymmetric case which satisfy $0<\chi^{2}<10$. parameter | range | parameter | range ---|---|---|--- $c_{L_{1}}$ | [ -1.5,-0.22] | $c_{E_{1}}$ | [2.6,3.7] $c_{L_{2}}$ | [-1.5,0.08] | $c_{E_{2}}$ | [2.0,2.57] $c_{L_{3}}$ | [-1.5,0.04] | $c_{E_{3}}$ | [1.1,1.8] (b)Dirac Neutrinos The expression for the mass matrix for the all the leptons is given by Eq.(10) The scanning range for the $c$ values of all the doublets and charged lepton singlets was in the range -1 to 4.5, while the neutrino singlets were scanned in the range 3.5 to 9. The magnitude of $\mathcal{O}$(1) Yukawa parameters were varied between 0.08 and 4. The regions of the $c$ parameters satisfying the constraint $0<\chi^{2}<10$ for the scanned ranges are presented in Table[10]. The ranges are presented in Fig.(6) in Appendix B. Table 10: Ranges for the scanned regions of the bulk leptonic parameters for the Dirac case with supersymmetry which satisfy $0<\chi^{2}<10$ for the supersymmetric case. parameter | range | parameter | range | parameter | range ---|---|---|---|---|--- $c_{L_{1}}$ | [ -1,2.6] | $c_{E_{1}}$ | [-0.86,3.46] | $c_{N_{1}}$ | [5.68,8.9] $c_{L_{2}}$ | [-0.99,2.21] | $c_{E_{2}}$ | [-1,2.24] | $c_{N_{2}}$ | [5.67,8.99] $c_{L_{3}}$ | [-1,1.54] | $c_{E_{3}}$ | [-1,1.49] | $c_{N_{3}}$ | [5.64,8.99] To summarize, on comparing the SM and the SUSY fits, we find that within a given generation, the fields have a tendency to be localized slightly towards the IR for the SUSY case than for the SM case. This effect is more pronounced in the down sector and increases with tan$\beta$. A comparison between the fits for the SM case and the SUSY case for $tan\beta=10$ and $50$ are presented in Figs.[7] in Appendix C. The underlying features of the fit in which the first two generations including the neutrinos are elementary from the ADS/CFT point of view while the third generation fermions $(t_{L},t_{R})$ having a tendency to be partially composite or composite, is maintained for both the SM and the SUSY case. From the choice of the $c$ parameters, we find that the LLHH case admits a better fit to the neutrino data than the Dirac case. This is contrary to the observations made in iyer in normal RS where the $c$ parameters for all the leptons were close to unity. It thus offered a more viable alternative than the LLHH case. In order to compensate for the weak warp factor in the Dirac case the right handed neutrinos had bulk masses $c_{N}\sim 7$. This weak warping however, works in favour of the LLHH case where for $c<0.5$ the effective 4D suppression scale is of the $\mathcal{O}$($M_{GUT}$) resulting in fits with $c$ parameters closer to unity. ## IV SUSY Spectrum and Flavour Phenomenology There are several ways to break supersymmetry within this RS set up at the GUT scale (see for example discussion in choi1 ; choi2 ; Dudas ; Brummer ; nomura . In the present work, we will consider only one particular set up which manifestly demonstrates the flavour structure of the fermions within the soft terms. More detailed analysis of supersymmetric spectrum will be addressed in iyer2 . We will assume in the following that supersymmetric breaking happens on the IR brane, or the GUT brane. Unlike the work of Hallnomura and Brummer we will not arrange the SM fields in any particular GUT representation. As has been discussed in these works, a GUT structure can be arranged with possible solutions for proton decay and doublet triplet splitting. Instead we parameterize SUSY breaking in terms of a single four dimensional spurion chiral superfield, $X=\theta^{2}F$, which is localized on the GUT brane. However, for soft masses generated at the Planck brane as in Dudas , one may then impose the GS anomaly cancellation conditions on bulk masses to ensure unification of couplings at the Planck scale. We do not impose any such conditions as the soft masses are generated at the GUT scale. In the limit, the higher KK modes are decoupled from the GUT scale physics Marti , the Kähler potential relevant for the scalar mass terms is given by $\mathcal{K}^{(4)}=\int dy\delta(y-\pi R)e^{-2k\pi R}k^{-2}X^{\dagger}X\left(\beta_{q,ij}Q^{\dagger}_{i}Q_{j}+\beta_{u,ij}U^{\dagger}_{i}U_{j}+\beta_{d,ij}D^{\dagger}_{i}D_{j}+\gamma_{u,d}H_{u,d}^{\dagger}H_{u,d}+\ldots\right)$ (15) where $\beta$ have dimensional carrying negative mass dimensions of -1 ( as the matter fields are five dimensional). $\gamma_{u,d}$ are $\mathcal{O}(1)$ parameters. The sfermion mass matrix is generated when the $X$ fields get a vacuum expectation value $m_{\tilde{f}}^{2}\sim k^{-2}<X>^{\dagger}<X>Q^{\dagger}Q$. The mass matrix will however not be diagonal in flavour space. In the canonical basis, (15), the mass matrices take the form $(m_{\tilde{f}}^{2})_{ij}=m_{3/2}^{2}~{}\hat{\beta}_{ij}~{}e^{(1-c_{i}-c_{j})kR\pi}\xi(c_{i})\xi(c_{j})$ (16) where $\hat{\beta}_{ij}=2k\beta_{ij}$ are dimensionless $\mathcal{O}(1)$ parameters. $\xi(c_{i})$ are defined in Eq.(II.1). And the gravitino mass is defined as $m_{3/2}^{2}={<F>^{2}\over k^{2}}={<F>^{2}\over M_{Pl}^{2}}$ (17) The Higgs fields are localised on the GUT brane, their masses are given by $m^{2}_{H_{u},H_{d}}=\gamma_{u,d}~{}m_{3/2}^{2}$. The A-terms are generated from the higher dimensional operators in the super potential of the type : $W^{(4)}=\int dy\delta(y-\pi R)e^{-3ky}k^{-1}X\left(\tilde{A}^{u}_{ij}H_{u}Q_{i}u_{j}+\tilde{A}^{d}_{ij}H_{d}Q_{i}d_{j}+\tilde{A}^{e}_{ij}H_{d}L_{i}E_{j}+\ldots\right)$ (18) where the $\tilde{A}$ are dimensionful parameters having mass dimension -1. Substituting for the vev of the $X$, we have for the four dimensional trilinear couplings at the GUT scale: $A^{u,d}_{ij}=m_{3/2}A^{\prime}_{ij}e^{(1-c_{i}-c^{\prime}_{j})kR\pi}\xi(c_{i})\xi(c^{\prime}_{j})$ (19) where we defined the dimensionless $\mathcal{O}(1)$ parameters as $A^{\prime}=2k\tilde{A}$. The structure of the A terms and the corresponding fermion mass matrix are similar and they differ only by the choice of the $\mathcal{O}$(1) parameters. Choosing $A^{\prime}=2kY^{\prime}$, makes the down sector A terms diagonal in the mass basis of the fermions at the GUT scale. Henceforth, we shall work in this basis, with the $\mathcal{O}$(1) parameters of the A terms proportional to the $\mathcal{O}$(1) Yukawa parameters. The masses for the gauginos are obtained from the following operator in the lagrangian $\mathcal{L}=\int d^{2}\theta k^{-1}X\mathcal{W}_{A\alpha}\mathcal{W}^{\alpha}_{A}$ (20) At $M_{GUT}$ their masses will be be $m_{1/2}=fm_{3/2}$ where $f$ is a $\mathcal{O}(1)$ parameter. $m_{1/2}$ will be treated as an independent parameter. They are independent of the position of localization of X. as the profile for the gauginos is flat corresponding to a bulk mass parameter of 0.5 Marti ; Gherghetta1 . While the above equations set the boundary conditions at the high scale, the weak scale spectrum is determined by the RGE evolution. In the present case, the spectrum at the high scale is completely non-universal as determined by the profiles of the zero modes of the matter chiral superfields. The structure of soft terms discussed here is similar to the ideas of flavourful supersymmetry discussed by Nomura1 ; Nomura2 and more recently by Ramond . In the following we will present two example points one for the LHLH higher dimensional operator case and another for the Dirac case. To begin with, in both the examples, we consider that all the $\mathcal{O}(1)$ parameters appearing in the definitions of the soft parameters are proportional to the unit matrix. We will explicitly mention any deviations as required by the phenomenology when presenting numerical examples. This would mean that the matrices, $A^{\prime},\hat{\beta}$ in Eqs. (16, 19) are proportional to unit matrix and the parameters $\gamma_{u},\gamma_{d}$ in Eq.(15) are equal to one. However, as we will see below, they play an important role in low energy phenomenology and one might frequently require to vary them within the $\mathcal{O}(1)$ range, to satisfy phenomenological constraints. While studying the flavour phenomenology, we make sure that the soft terms are present in the super-CKM basis. The low-energy spectrum has been computed numerically using the spectrum generator SUSEFLAV suseflav . #### IV.0.1 LHLH operator case In this case we consider the following point, (21), in the $c$ parameter space. It has a $\chi^{2}$ of $5.5$ for the hadronic sector and $0.7341$ for the leptonic sector. As expected it has a mostly composite right handed top quark. In addition, the leptonic doublets are also significantly composite in this case. $\displaystyle c_{Q_{1}}=2.740\hskip 14.22636ptc_{D_{1}}=0.722\hskip 14.22636ptc_{U_{1}}=0.4024\hskip 14.22636ptc_{L_{1}}=-1.497\hskip 14.22636ptc_{E_{1}}=3.634$ $\displaystyle c_{Q_{2}}=1.920\hskip 14.22636ptc_{D_{2}}=0.729\hskip 14.22636ptc_{U_{2}}=0.0652\hskip 14.22636ptc_{L_{2}}=-0.224\hskip 14.22636ptc_{E_{2}}=2.290$ $\displaystyle c_{Q_{3}}=0.960\hskip 14.22636ptc_{D_{3}}=0.801\hskip 14.22636ptc_{U_{3}}=-3.5615\hskip 14.22636ptc_{L_{3}}=-1.0738\hskip 14.22636ptc_{E_{3}}=1.769$ (21) The choice of $\mathcal{O}$(1) parameters in the soft sector plays a role in determining the nature of the low energy spectrum. For a given set of $c$ parameters, a naive choice of one for all the $\mathcal{O}$(1) parameters in the soft sector may or may not lead to an acceptable spectrum at $M_{susy}$. For the LLHH case corresponding to the choice in Eq.(21) the $\mathcal{O}$(1) parameters for all the soft masses are taken to be 1. The $\mathcal{O}$(1) parameters for the A terms are chosen to be $\hat{A}^{u}=1.02Y^{{}^{\prime}u}$ while $\hat{A}^{u}=Y^{{}^{\prime}d}$ and $\hat{A}^{e}=0.6Y^{{}^{\prime}e}$. Corresponding to these choices of the $\mathcal{O}$(1) parameters and the $c$ values in Eq.(21), the soft breaking terms at the GUT scale in $GeV$ are given as: $m_{Q}=\begin{bmatrix}0.001&-0.03&-0.27\\\ -0.03&0.85&7.6\\\ -0.27&7.6&68.7\end{bmatrix};m_{U}=\begin{bmatrix}11.5&-63.5&156.1\\\ -63.5&349.6&-859.1\\\ 156.1&-859.1&2110.8\end{bmatrix};m_{D}=\begin{bmatrix}105.03&-90.4&155.2\\\ -90.4&77.8&-133.6\\\ 155.2&-133.6&229.5\end{bmatrix}$ $A_{U}=\begin{bmatrix}-0.002&-0.09&-0.84\\\ -0.0002&1.09&-6.3\\\ -10^{-6}&0.01&439.4\end{bmatrix};A_{D}=\begin{bmatrix}0.03&0&0\\\ 0&-0.40&0\\\ 0&0&-40.6\end{bmatrix};m_{L}=\begin{bmatrix}7.7&8.8&-147.5\\\ 8.8&9.9&-167.0\\\ -147.5&-167.0&2798.4\end{bmatrix}$ $m_{E}=\begin{bmatrix}0.001&-0.017&0.05\\\ -0.017&0.26&-0.89\\\ 0.05&-0.89&3.04\end{bmatrix};A_{E}=\begin{bmatrix}0.008&0&0\\\ 0&1.81&0\\\ 0&0&-31.3\end{bmatrix}$ (22) A couple of interesting features of the above spectrum are (i) at least one of the soft masses is tachyonic (ii) significant amount of flavour violation present at the high scale. However at the weak scale, things are significantly different. This is because the RG running is quite different for the diagonal terms compared to the off-diagonal ones. In fact, the off-diagonal entries barely run, where as the corrections to the diagonal ones are quite significant. As an illustration, consider the slepton mass matrix at the weak scale. The analytic output at the weak scale for the diagonal terms can be approximated as $\displaystyle\tilde{M}^{2}_{L_{1,2}}\simeq m_{L_{1,2}}^{2}+0.5M_{1/2}^{2}$ (23) $\displaystyle\tilde{M}^{2}_{L_{3}}\simeq m_{L_{3}}^{2}+0.5M_{1/2}^{2}$ $\displaystyle\tilde{M}^{2}_{E_{1,2}}\simeq m_{E_{1,2}}^{2}+0.15M_{1/2}^{2}$ $\displaystyle\tilde{M}^{2}_{E_{3}}\simeq m_{E_{3}}^{2}+0.15M_{1/2}^{2}$ which receive gauge contributions while the off diagonal elements do not. The A terms are not large enough to make the off diagonal elements of the soft mass matrices comparable with the diagonal terms. An example for the sleptons for the case under consideration is given as $\displaystyle m_{L}^{2}(m_{susy})$ $\displaystyle=$ $\displaystyle\begin{bmatrix}2.2\times 10^{5}&77.0&-2.1\times 10^{4}\\\ 77.0&2.2\times 10^{5}&-2.7\times 10^{4}\\\ -2.1\times 10^{4}&-2.7\times 10^{4}&7.7\times 10^{6}\end{bmatrix}\text{GeV}^{2}$ $\displaystyle m_{E}^{2}(m_{susy})$ $\displaystyle=$ $\displaystyle\begin{bmatrix}1.1\times 10^{6}&3.4\times 10^{-4}&2.2\times 10^{-1}\\\ 3.4\times 10^{-4}&1.1\times 10^{6}&5.9\times 10^{1}\\\ 2.2\times 10^{-1}&5.9\times 10^{1}&5.4\times 10^{5}\end{bmatrix}\text{GeV}^{2}$ (24) We see that the off-diagonal entry has barely enhanced where as the diagonal entries have been significantly modified. Constraints from flavour violation would restrict the mass scales of $m_{3/2}$ and $M_{1/2}$. The most stringent constraints are from the transitions between the first two generations ie from $K^{0}\to\bar{K}^{0}$ and $\mu\to e+\gamma$. The expressions for the $K_{L}-K_{S}$ mass difference and the branching fractions for $\mu\to e+\gamma$ can be found in Gabbiani ; Gabbiani1 . We impose the flavour constraints from all the existing data on the $\delta$ parameters. Bounds from the flavour violating processes are obtained using the mass insertion approximation Gabbiani and the results of vempati defined in the Super-CKM basis. The flavour violating indices are defined as $\delta_{ij}(i\neq j)={(U^{\dagger}M^{2}_{soft}U)_{ij}\over m_{susy}}(i\neq j)$ are evaluated in the basis in which the down sector is diagonal, with U being the rotation matrix which rotates the corresponding fermion mass matrix. The $\delta$ are evaluated at the weak scale and we scale the bounds of vempati to the present mass scales. In Table[12] we present the low energy spectrum corresponding to the sample point in Eq.(21). The low energy $\delta^{\prime}s$ are presented in Table 13. Table 11: Experimental upper bounds on the $\delta^{down}$ obtained for $\tilde{m}_{q}=2.1$ TeV and $\tilde{m}_{l}=0.7$ TeV (i,j) | $|\delta^{Q}_{LL}|$ | $|\delta^{L}_{LL}|$ | $|\delta^{D}_{LR}|$ | $|\delta^{E}_{LR}|$ | $|\delta^{D}_{RL}|$ | $|\delta^{E}_{RL}|$ | $|\delta^{D}_{RR}|$ | $|\delta^{E}_{RR}|$ ---|---|---|---|---|---|---|---|--- 12 | 0.053 | $0.0002$ | $0.0003$ | $3.8\times 10^{-6}$ | $0.0003$ | $3.8\times 10^{-6}$ | 0.03 | 0.03 13 | $0.34$ | 0.14 | $0.06$ | $0.03$ | 0.06 | $0.03$ | 0.26 | - 23 | 0.61 | $0.16$ | $0.01$ | 0.04 | $0.02$ | 0.04 | 0.84 | - Table 12: Soft spectrum for LLHH case: $m_{susy}=1.06$ TeV, $m_{\tilde{g}}=2.64$ TeV, $\mu=3.43$TeV, $tan\beta=25$ Parameter | Mass(TeV) | Parameter | Mass(TeV) | Parameter | Mass(TeV) | Parameter | Mass(Tev) | Parameter | Mass(TeV) ---|---|---|---|---|---|---|---|---|--- $\tilde{t}_{1}$ | 0.47 | $\tilde{b}_{1}$ | 1.01 | $\tilde{\tau}_{1}$ | 0.726 | $\tilde{\nu}_{\tau}$ | 2.78 | $N_{1}$ | 0.465 $\tilde{t}_{2}$ | 1.05 | $\tilde{b}_{2}$ | 2.14 | $\tilde{\tau}_{2}$ | 2.79 | $\tilde{\nu}_{\mu}$ | 0.483 | $N_{2}$ | 0.929 $\tilde{c}_{R}$ | 2.24 | $\tilde{s}_{R}$ | 2.40 | $\tilde{\mu}_{R}$ | 0.478 | $\tilde{\nu}_{e}$ | 0.469 | $N_{3}$ | 3.38 $\tilde{c}_{L}$ | 2.48 | $\tilde{s}_{L}$ | 2.48 | $\tilde{\mu}_{L}$ | 1.05 | - | - | $N_{4}$ | 3.39 $\tilde{u}_{R}$ | 2.24 | $\tilde{d}_{R}$ | 2.40 | $\tilde{e}_{R}$ | 0.476 | - | - | $C_{1}$ | 0.895 $\tilde{u}_{L}$ | 2.48 | $\tilde{d}_{L}$ | 2.48 | $\tilde{e}_{L}$ | 1.05 | - | - | $C_{2}$ | 3.43 $m_{A^{0}}$ | 3.23 | $m_{H}^{\pm}$ | 3.23 | $m_{h}$ | 0.12186 | $m_{H}$ | 3.06 | - | - Table 13: Low energy $\delta^{\prime}s$ for quarks and leptons corresponding to the points in Eq.(21) for the LLHH case evaluated for $\tilde{m}_{q}=2.1$TeV and $\tilde{m}_{l}=0.7$ TeV (i,j) | $|\delta^{Q}_{LL}|$ | $|\delta^{L}_{LL}|$ | $|\delta^{D}_{LR}|$ | $|\delta^{U}_{LR}|$ | $|\delta^{D}_{RL}|$ | $|\delta^{U}_{RL}|$ | $|\delta^{D}_{RR}|$ | $|\delta^{E}_{RR}|$ | $|\delta^{U}_{RR}|$ ---|---|---|---|---|---|---|---|---|--- 12 | 0.0003 | $0.0001$ | $10^{-10}$ | $10^{-8}$ | $10^{-8}$ | $10^{-5}$ | $0.001$ | $10^{-10}$ | 0.001 13 | $0.01$ | 0.04 | $10^{-8}$ | $10^{-8}$ | $10^{-6}$ | $0.002$ | $0.005$ | $10^{-7}$ | 0.01 23 | 0.05 | $0.05$ | $10^{-6}$ | $10^{-5}$ | $10^{-5}$ | $0.01$ | $0.003$ | 0.0001 | 0.07 #### IV.0.2 Dirac Case For the case where neutrinos are of Dirac type the $c$ parameters in Eq.(25) with $\chi^{2}$ of $0.3211$ for the hadronic sector and $0.1481$ for the leptonic sector were chosen. The $c$ values for the doublets in this case indicate they are predominantly elementary from the CFT point of view especially for the first two generations. The third generation however may be partially composite as in this case. $\displaystyle c_{Q_{1}}=1.895\hskip 14.22636ptc_{D_{1}}=1.898\hskip 14.22636ptc_{U_{1}}=1.738\hskip 14.22636ptc_{L_{1}}=1.293\hskip 14.22636ptc_{E_{1}}=2.480\hskip 14.22636ptc_{N_{1}}=6.783$ $\displaystyle c_{Q_{2}}=1.467\hskip 14.22636ptc_{D_{2}}=1.271\hskip 14.22636ptc_{U_{2}}=1.124\hskip 14.22636ptc_{L_{2}}=1.311\hskip 14.22636ptc_{E_{2}}=1.406\hskip 14.22636ptc_{N_{2}}=7.346$ $\displaystyle c_{Q_{3}}=-0.137\hskip 14.22636ptc_{D_{3}}=1.394\hskip 14.22636ptc_{U_{3}}=-0.356\hskip 14.22636ptc_{L_{3}}=0.260\hskip 14.22636ptc_{E_{3}}=0.237\hskip 14.22636ptc_{N_{1}}=7.332$ (25) The generic feature of soft mass matrices, discussed in the LLHH case, of the spectrum being tachyonic at the high scale and the diagonal terms evolving more than the off diagonal elements apply to this case as well. Corresponding to the c values in Eq.(25), the soft masses at the GUT scale have been evaluated for $m^{GUT}_{3/2}=800$ GeV while choosing $M_{1/2}=1200$ GeV for the three gauginos. The $\mathcal{O}(1)$ parameters corresponding to $(m_{Q})_{33}$ and $(m_{U})_{33}$ were chosen to be 4 while for the others they are set to be 1. $A^{{}^{\prime}u}_{ij}=1.15Y^{{}^{\prime}u}\forall i,j$, for all the A terms of the up sector while for the down sector and the leptons they were set equal to the corresponding $\mathcal{O}$(1) Yukawa couplings. The high scale soft breaking matrices in $GeV$ are given in Eq.(26). In Table[14] we present the low energy spectrum corresponding to the sample point in Eq.(25). The low energy $\delta^{\prime}s$ are presented in Table 15. $m_{Q}=\begin{bmatrix}0.60&1.2&30.0\\\ 1.2&8.7&-19.4\\\ 30.0&-19.4&2560.6\end{bmatrix};m_{U}=\begin{bmatrix}0.7&-3.8&17.1\\\ -3.8&32.1&70.3\\\ 17.1&70.3&2971.6\end{bmatrix};m_{D}=\begin{bmatrix}0.10&-0.85&-1.7\\\ -0.85&7.1&14.6\\\ -1.7&14.6&29.8\end{bmatrix}$ $A_{U}=\begin{bmatrix}10^{-3}&-0.42&-5.8\\\ 10^{-3}&1.18&0.20\\\ 10^{-5}&-0.005&488.8\end{bmatrix};A_{D}=\begin{bmatrix}0.03&0&0\\\ 0&0.57&0\\\ 0&0&-40.6\end{bmatrix};m_{L}=\begin{bmatrix}8.7&0.9&62.5\\\ 0.9&0.1&7.0\\\ 62.5&7.0&446.3\par\end{bmatrix}$ $m_{E}=\begin{bmatrix}0.2&-0.4&10.5\\\ -0.4&0.7&-17.9\\\ 1.0&-17.29&442.7\end{bmatrix};A_{E}=\begin{bmatrix}-0.01&0&0\\\ 0&-3.01&0\\\ 0&0&52.1\end{bmatrix}$ (26) Table 14: Soft spectrum for Dirac case: $m_{susy}=1.05$ TeV, $m_{\tilde{g}}=2.65$ TeV, $\mu=4.32$TeV, $tan\beta=25$ Parameter | Mass(TeV) | Parameter | Mass(TeV) | Parameter | Mass(TeV) | Parameter | Mass(Tev) | Parameter | Mass(TeV) ---|---|---|---|---|---|---|---|---|--- $\tilde{t}_{1}$ | 0.702 | $\tilde{b}_{1}$ | 2.06 | $\tilde{\tau}_{1}$ | 0.480 | $\tilde{\nu}_{\tau}$ | 0.570 | $N_{1}$ | 0.465 $\tilde{t}_{2}$ | 2.31 | $\tilde{b}_{2}$ | 2.32 | $\tilde{\tau}_{2}$ | 0.802 | $\tilde{\nu}_{\mu}$ | 0.624 | $N_{2}$ | 0.928 $\tilde{c}_{R}$ | 2.25 | $\tilde{s}_{R}$ | 2.36 | $\tilde{\mu}_{R}$ | 0.608 | $\tilde{\nu}_{e}$ | 0.625 | $N_{3}$ | 4.26 $\tilde{c}_{L}$ | 2.45 | $\tilde{s}_{L}$ | 2.45 | $\tilde{\mu}_{L}$ | 0.902 | - | - | $N_{4}$ | 4.26 $\tilde{u}_{R}$ | 2.25 | $\tilde{d}_{R}$ | 2.36 | $\tilde{e}_{R}$ | 0.610 | - | - | $C_{1}$ | 0.894 $\tilde{u}_{L}$ | 2.45 | $\tilde{d}_{L}$ | 2.45 | $\tilde{e}_{L}$ | 0.903 | - | - | $C_{2}$ | 4.32 $m_{A^{0}}$ | 4.18 | $m_{H}^{\pm}$ | 4.18 | $m_{h}$ | 0.1235 | $m_{H}$ | 3.96 | - | - Table 15: Low energy $\delta^{\prime}s$ for the Dirac Case corresponding to the point in Eq.(25) for Dirac case evaluated for $\tilde{m}_{q}=2.1$TeV and $\tilde{m}_{l}=0.7$ TeV (ij) | $|\delta^{Q}_{LL}|$ | $|\delta^{L}_{LL}|$ | $|\delta^{D}_{LR}|$ | $|\delta^{U}_{LR}|$ | $|\delta^{D}_{RL}|$ | $|\delta^{U}_{RL}|$ | $|\delta^{D}_{RR}|$ | $|\delta^{E}_{RR}|$ | $|\delta^{U}_{RR}|$ ---|---|---|---|---|---|---|---|---|--- 12 | 0.0003 | $10^{-6}$ | $10^{-10}$ | $10^{-8}$ | $10^{-8}$ | $10^{-5}$ | $10^{-7}$ | $10^{-7}$ | 0.00005 13 | $0.01$ | 0.007 | $10^{-8}$ | $10^{-8}$ | $10^{-5}$ | $0.002$ | $10^{-6}$ | $10^{-4}$ | 0.06 23 | 0.06 | $10^{-4}$ | $10^{-6}$ | $10^{-5}$ | $10^{-5}$ | $0.01$ | $10^{-4}$ | 0.0006 | 0.001 ## V Outlook The Randall-Sundrum framework is typically considered to be the geometric avatar of the Froggatt-Nielsen models. In the present work, we have considered a warped extra dimension close to the GUT scale. We fit the quark masses and the CKM mixing angles and determined the range of the $c$ parameters which give a reasonable $\chi^{2}$ fit. The $\mathcal{O}(1)$ parameters associated with the Yukawa couplings have also been varied accordingly. Though the top quark Yukawa is smaller at the high scale compared to the weak scale, it is still large enough that one requires a large negative bulk mass parameter for the right handed top quark. For the leptons, we considered two particular models for neutrino masses (a) with Planck scale lepton number violating operator and (b) Dirac neutrino masses. The results show that there is a significant difference in the RS models at the weak scale and the RS models at the GUT scale especially if one focuses on the neutrino sector. In the weak scale models, the Planck scale lepton number violating higher dimensional operator was very hard to accommodate with perturbative Yukawa couplings and thus was highly disfavoured. The Dirac and the Majorana cases were favoured though they were strongly constrained by the data from flavour violating rare decays. The situation is sort of reversed in the GUT scale RS models, though not exactly. The higher dimensional Planck scale operator fits the data very well, where as the Dirac case requires larger $c$ values, some times with bulk mass parameters almost an order of magnitude larger than the cut-off scale. In the hadronic sector, the situation is not so dramatic. The top quark Yukawa though reduces at the GUT scale compared to the weak scale, still requires that the right handed top to be located close to the IR, making it a composite as in the weak scale models. The supersymmetric version of the same set up is far more interesting as it can have possible observable signatures at the weak scale. The main difference in fitting of the fermion masses is due to the presence of the additional parameter $\tan\beta$ in the supersymmetric case. The difference in the $c$ values is not very significant for low values of $\tan\beta$. At large $\tan\beta$, for a given generation, the zero modes are localized more towards the IR brane as compared to the SM case. This effect is more pronounced in the down sector as shown in Figures[7]. We parameterise SUSY breaking by a single spurion field localised on the IR brane. The resultant soft masses depend on the profiles of the zero modes of the chiral superfields and contain flavour violation. At the weak scale the constraints from first two generation flavour transitions rule out light spectrum. Another significant constraint comes the light Higgs mass at 125 GeV. The trilinear couplings have the same form as the Yukawa couplings in this model as long as the $\mathcal{O}$(1) parameters associated with both the parameters are taken to be proportional to each other. If all the $\mathcal{O}(1)$ parameters at high scale are take to be exactly unity, the weak scale values of $A_{t}$ are small to generate a 125 GeV light Higgs, for stops of masses $\sim 1.5-2$ TeV. However, with a minor variation of the $\mathcal{O}(1)$ parameters for $A_{t}$ at the high scale, 125 GeV Higgs is easily possible. More variations of supersymmetric breaking and the corresponding spectra will be discussed later iyer2 . Acknowledgments We thank Emilian Dudas for discussions and collaboration in the initial stages of this work. We also thank him for a clarification about a point. AI would like to thank CPhT Ecole Polytechnique for hospitality during his stay and Gero Von Gersdorff for useful discussions. We also thank Debtosh Chowdhury for useful inputs. We thank S. Uma Sankar for a reference and communications. SKV acknowledges support from DST Ramanujam fellowship SR/S2/RJN-25/2008 of Govt. of India. ## Appendix A Plots for ranges of c parameters for quarks and leptons for SM fits at the GUT scale ### A.1 Range of c parameters for the quarks | ---|--- | | Figure 1: The points in the above figures correspond to a $\chi^{2}$ between 1 and 10 for the SM fits at the GUT scale. The plot represents the parameter space for the bulk masses of the quarks. ### A.2 Range of c parameters for the for leptons for the LLHH scenario | ---|--- | Figure 2: The points in the above figures correspond to a $\chi^{2}$ between 1 and 10. The plot represents the parameter space for the bulk masses of the leptons corresponding to the LLHH case. ### A.3 Range of c parameters for the leptons. | ---|--- | | Figure 3: The points in the above figures correspond to a $\chi^{2}$ between 1 and 10 for the SM fits at the GUT scale. The plot represents the parameter space for the bulk masses of the leptons corresponding to the Dirac type neutrinos. ## Appendix B Plots for ranges of c parameters for quarks and leptons for the supersymmetric case ### B.1 Range of c parameters for the quarks | ---|--- | | Figure 4: The points in the above figures correspond to a $\chi^{2}$ between 1 and 10. The plot represents the parameter space for the bulk masses of the quarks. ### B.2 Range of c parameters for the for leptons for the LLHH scenario | ---|--- | Figure 5: The points in the above figures correspond to a $\chi^{2}$ between 1 and 10. The plot represents the parameter space for the bulk masses of the leptons corresponding to the LLHH case. ### B.3 Range of c parameters for the for leptons for the case of Dirac neutrinos. | ---|--- | | Figure 6: The points in the above figures correspond to a $\chi^{2}$ between 1 and 10. 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arxiv-papers
2013-04-12T07:45:21
2024-09-04T02:49:44.261390
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Abhishek M Iyer and Sudhir K Vempati", "submitter": "Abhishek Iyer M", "url": "https://arxiv.org/abs/1304.3558" }
1304.3713
# Computational Nuclear Quantum Many-Body Problem: The UNEDF Project S. Bogner A. Bulgac J. Carlson J. Engel G. Fann R.J. Furnstahl S. Gandolfi G. Hagen M. Horoi C. Johnson M. Kortelainen E. Lusk P. Maris H. Nam P. Navratil W. Nazarewicz E. Ng G.P.A. Nobre E. Ormand T. Papenbrock J. Pei S. C. Pieper S. Quaglioni K.J. Roche J. Sarich N. Schunck M. Sosonkina J. Terasaki I. Thompson J.P. Vary S.M. Wild Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, IL 60439, USA Physics Division, Argonne National Laboratory, Argonne, IL 60439, USA National Nuclear Data Center, Brookhaven National Laboratory, Upton, NY 11973, USA Central Michigan University, Mount Pleasant, MI 48859, USA Department of Physics and Astronomy, Iowa State University, Ames, IA 50011, USA Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA Physics Division, Lawrence Livermore National Laboratory, Livermore, CA 94551, USA National Superconducting Cyclotron Lab, Michigan State University, East Lansing, MI, 48824, USA Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA National Center for Computational Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA Department of Physics, Ohio State University, Columbus, OH 43210, USA Department of Modeling, Simulation and Visualization Engineering, Old Dominion University, Norfolk, VA 23529, USA Computational Sciences and Mathematics Division, Pacific Northwest National Laboratory, Richland, WA 99352, USA State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871, China Department of Physics, San Diego State University, San Diego, CA 92182, USA TRIUMF, 4004 Westbrook Mall, Vancouver, BC, V6T 2A3, Canada Department of Physics, P.O. Box 35 (YFL), FI-40014, University of Jyväskylä, Finland Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599, USA Department of Physics and Astronomy, University of Tennessee, Knoxville, TN 37996, USA Division of Physics and Center for Computational Sciences, University of Tsukuba, Tsukuba, 305-8577, Japan Faculty of Physics, University of Warsaw, 00-681 Warsaw, Poland Department of Physics, University of Washington, Seattle, WA 98195, USA ###### Abstract The UNEDF project was a large-scale collaborative effort that applied high- performance computing to the nuclear quantum many-body problem. UNEDF demonstrated that close associations among nuclear physicists, mathematicians, and computer scientists can lead to novel physics outcomes built on algorithmic innovations and computational developments. This review showcases a wide range of UNEDF science results to illustrate this interplay. ###### keywords: Configuration interaction , Coupled-cluster method , Density functional theory , Effective field theory , High-performance computing , Quantum Monte Carlo ## 1 Introduction to UNEDF Understanding the properties of atomic nuclei is crucial for a complete nuclear theory, for element formation, for properties of stars, and for present and future energy and defense applications. From 2006 to 2012, the UNEDF (Universal Nuclear Energy Density Functional) collaboration carried out a comprehensive study of the nuclear many-body problem using advanced numerical algorithms and extensive computational resources, with a view toward scaling to petaflop supercomputing platforms and beyond. The UNEDF project was carried out as part of the SciDAC (Scientific Discovery through Advanced Computing) program led by Advanced Scientific Computing Research (ASCR), part of the Office of Science in the U.S. Department of Energy (DOE). The SciDAC program was started in 2001 as a way to couple the applied mathematics and computer science research sponsored by ASCR to applied computational science application projects traditionally supported by other offices in DOE. UNEDF was funded jointly by ASCR, the Nuclear Physics program of the Office of Science, and the National Nuclear Security Administration. Over 50 physicists, applied mathematicians, and computer scientists from 9 universities and 7 national laboratories in the United States, as well as many international collaborators, participated in UNEDF. This review describes science outcomes in nuclear many-body physics, with an emphasis on computational and algorithmic developments, that have resulted from the successful collaborations within UNEDF among mathematicians and computer scientists on one side and nuclear physicists on the other. Such collaborations “across the divide” were newly formed at the early stage of the project and became its unique feature, with high-performance computing serving as a catalyst for new interactions. The results described in this paper could not have been achieved without such couplings. ### 1.1 UNEDF science The long-term vision initiated with UNEDF is to arrive at a comprehensive, quantitative, and unified description of nuclei and their reactions that is grounded in the fundamental interactions between the constituent nucleons [1, 2]. The goal is to replace phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that delivers maximum predictive power with well-quantified uncertainties. Specifically, the mission of UNEDF was threefold: 1. 1. Find an optimized energy density functional (EDF) using all our knowledge of the nucleonic Hamiltonian and basic nuclear properties. 2. 2. Validate the functional using the relevant nuclear data. 3. 3. Apply the validated theory to properties of interest that cannot be measured. The main physics areas of UNEDF, defined at the beginning of the project [1], were ab initio structure, ab initio functionals, density functional theory (DFT) applications, DFT extensions, and reactions. Few connections between these areas existed at that time. As UNEDF matured, however, coherence grew within the effort. Indeed, the project created and facilitated an increasing interplay among the major areas where none had existed previously. Each of the main physics areas now includes ongoing collaborations that cross over into other areas. These interconnections are highlighted in the summary diagram of the UNEDF strategy shown in Fig. 1. In addition to physics links, numerous computer science/applied mathematics (CS/AM) interconnections were established within UNEDF as computational and mathematical tools developed in one area of UNEDF were used in other parts of the project. These tools, motivated by nuclear needs, are now available for other areas of science. Access to leadership-class computing resources and large-scale compute time allocations were critical for the scientific investigations. Figure 1: UNEDF project scope. Major science areas are indicated by boxes; interconnections between areas are marked by arrows. The green boxes indicate connections to experimental observations. At the intersection of the ab initio techniques and DFT techniques are comparisons of observables among the various approaches, particularly through constraints on density. Such calculations have not been performed before and require significant computational capability and an increasing sophistication of data manipulation. Research on the nuclear problem would be incomplete without a serious effort to understand the nuclear interactions involved and their connection to DFT. Therefore, the UNEDF project also included elements that required less computational capability but are integral to the project, such as the development of nuclear forces using renormalization group approaches. Another example is research on nuclear reaction properties that requires both the use and development of algorithms for the largest computers and more conventional computing needed for algorithmic breakthroughs. Another new aspect of the nuclear theory effort driven by this project is a greatly enhanced degree of quality control. Integral to UNEDF was the verification of methods and codes, the estimation of uncertainties, and other output assessments. Methods used for verification and validation included the crosschecking of different theoretical methods and codes, the use of multiple DFT solvers with benchmarking, and benchmarking of different ab initio methods using the same Hamiltonian. A new way to estimate theory error bars was to use multiple Hamiltonians with different energy/momentum cutoffs and then analyze the cutoff dependence of calculated observables. The UNEDF assessment component necessitated the development and application of statistical tools to deliver uncertainty quantification and error analysis for theoretical studies as well as to assess the significance of new experimental data. Such technologies are essential as new theories and computational tools are applied to entirely new nuclear systems and to conditions that are not accessible to experiment. ### 1.2 Collaborative effort The successes of the UNEDF project were built upon certain best practices, some implemented originally and some learned by experience, in organizing and implementing the scientific effort. In order to foster the close alignment of the necessary applied mathematics and computer science research with the necessary physics research, multiple direct partnerships were formed consisting of computer scientists and applied mathematicians linked with specific physicists to remove algorithmic and/or computational barriers to progress. The five-year lifetime of the project provided time for these collaborations to become deep, and they have continued into follow-up projects. All these partnerships have success stories to tell, from greatly improved load balancing on leadership-class machines, to new DFT solver technologies, to dramatically improved algorithms for optimization of functionals, to eigenvalues and eigenfunctions of extremely large matrices, and more. The SciDAC program aims at transformative science, and this goal has been fulfilled by the new capabilities stemming from UNEDF. But the outcomes reach beyond the many compelling nuclear physics calculations. UNEDF has changed for the better the way that low-energy nuclear theory is carried out, analogous to the shift in experimental programs, moving from many small groups working independently to large-scale collaborative efforts. ## 2 Science The territory of UNEDF science is the chart of the nuclides in the $(N,Z)$-plane shown in Fig. 2. On this chart, stable nuclei are represented by black squares, while the yellow squares indicate unstable nuclei that have been seen in the laboratory. The sizable green area marked “terra incognita” is populated by unstable isotopes yet to be explored. Above the table of nuclides are shown three broad classes of theoretical methods, which are also used in other fields dealing with strongly interacting many-body systems, such as quantum chemistry and condensed matter physics. Light nuclei and their reactions can be computed by using ab initio techniques (quantum Monte Carlo, no-core shell model) described in Sec. 2.1. Medium-mass nuclei can be treated by configuration interaction (CI) techniques (Sec. 2.2). The bulk of the nuclides are covered by the nuclear DFT described in Sec. 2.3, which provides the theoretical underpinning and computational framework for building a nuclear EDF. Time-dependent phenomena involving complex nuclei, including nuclear reactions, can be described by means of approaches going beyond static DFT (Sec. 2.4). By enhancing and exploiting the overlaps with ab initio and CI approaches, the goal is to construct and validate a nuclear EDF informed by microscopic interactions as well as experimental data. Figure 2: Theoretical approaches for solving the nuclear quantum many-body problem used by UNEDF. The lightest nuclei can be computed by using ab initio methods based on the bare internucleon interactions (red). Medium-mass nuclei can be treated by configuration interaction techniques (green). For heavy nuclei, the density functional theory based on the optimized energy density functional is the tool of choice. (From [1].) ### 2.1 Ab initio methods and benchmarking Ab initio methods solve few- and many-body problems by using realistic two- and three-nucleon interactions and obtain the structure and dynamic properties of nuclei. The nuclear interaction depends on the spatial, spin, and isospin coordinates of the nucleons. Consequently, calculations are much more computationally demanding than typical quantum problems. Items of interest include nuclear spectra, charge and magnetic ground-state and transition densities, electron and neutrino scattering, and low-energy reactions. The main goals are to reproduce known nuclear properties and predict properties that are difficult or impossible to measure. Several ab initio methods have been developed for studying light nuclei; all have analogues in the study of condensed matter and electronic systems. Quantum Monte Carlo (QMC) methods, including Green’s function Monte Carlo (GFMC), use Monte Carlo evaluations of path integrals, explicitly summing over the spin states and isospin states of the system. The most recent GFMC calculations have concentrated on the 12C nucleus, a fascinating system with a low-lying excited $0^{+}$ state, the Hoyle state, very near the threshold of three-alpha particles. QMC methods have also been used to calculate the properties of neutron matter and neutrons in inhomogeneous potentials. No-core shell model (NCSM) methods, including the large-scale many-fermion dynamics nuclear (mfdn) code, expand the interacting states in products of single-particle states and project the low-lying states through large-scale matrix operations. mfdn calculations have been used, for example, to explain the long lifetime of the 14C nucleus used in carbon dating. A combination of no-core shell model techniques with the resonating group method is currently used to calculate important low-energy nuclear reactions. The coupled-cluster method is an ideal microscopic approach to describe nuclei with closed (sub)shells and their neighbors. It exhibits a low computational cost (scales polynomially with system size) while capturing the dominant parts of correlations in the wave function. This method has been employed to describe and predict the structure and reactions of neutron-rich oxygen and calcium isotopes. #### 2.1.1 GFMC Green’s function Monte Carlo calculations start with an initial trial state $\Psi_{T}$ and obtain expectation values in the exact eigenfunction $\Psi_{0}$ of the Hamiltonian. These calculations are done by evolution in imaginary time $\tau$: $\Psi_{0}=\exp[-H\tau]\Psi_{T}$ for sufficiently large $\tau$. The evolution is done in many small steps of $\tau$, each step being a nested $3A$-dimensional integral. GFMC was introduced in light nuclei [3, 4] to include the strong correlations induced by the nuclear interaction. This method has been used to calculate the spectra of light nuclei up to 12C [4, 5], as well as form factors, electron scattering, and low-energy reactions [6]. Calculations of 12C require the largest-scale computers available, using a combination of efficient load-balancing for the Monte Carlo and large-scale linear algebra for the spin-isospin degrees of freedom. The calculations of 12C required the development of the Asynchronous Dynamic Load Balancing (adlb) library to efficiently perform the load balancing on more than 100,000 cores [5]. A program, agfmc, has been developed over the past 15 years to carry out these calculations [7, 8, 9]. It is a large (80,000 lines) Fortran code that originally used MPI to manage parallelism. At the beginning of this project, the agfmc code was scaling well up to around 2,000 processes and performing satisfactorily on IBM’s Blue Gene/L computer. At that time it was becoming apparent that if the code were to be able to take advantage of new, petascale machines expected to come on line during the five-year project to investigate larger nuclei, a significant increase in the degree of parallelism would need to be incorporated into its main algorithms. The greater degree of parallelism (from thousands to tens of thousands of processes) would give rise to load- balancing problems that would strain the then-used approach. One of the goals of UNEDF was to construct a software library, intrinsically general-purpose but with features driven by the requirements of agfmc, to attack the load-balancing problem. The purposes of the library were to supply a programming interface that would enable relatively straightforward migration of the existing agfmc code to the new load-balancing library and to scale the entire system to much larger degrees of parallelism. The result is the adlb library [5]. adlb generalizes the classical manager- worker parallel programming model by allowing application processes (workers) to _put_ arbitrary independent work units into a shared pool and _get_ them out to complete them, notifying other processes when they have done so. Work units are assigned types and priorities by the workers and retrieved according to these properties, allowing complex algorithms to be implemented, despite the simple nature of the parallel programming model. Scalability is achieved by dedicating a small percentage (but still potentially a large number) of the job’s processes to maintaining this work pool and responding to _put_ and _get_ requests. These “server” processes execute independently from the application processes, thus allowing asynchronous load balancing of process load, memory consumption for the work pool, and message traffic. Figure 3: Weak scaling of agfmc with adlb in terms of MPI ranks. There are 8 ranks per BG/Q node; each rank is using 6 OpenMP threads. Note the compressed vertical scale. This scheme has worked well. Most of the MPI programming in the original agfmc code has been absorbed into the adlb library, yet the overall code structure has been maintained. Scalability has been extended to more than 32,000 processes on BG/P and more than 260,000 processes on BG/Q (see Fig. 3), enabling scientific results unattainable before this project was undertaken. The 12C nucleus is particularly intriguing because it has a low-lying $0^{+}$ excited state (the “Hoyle” state) very near the energy of the breakup into three alpha particles. This state is essential for the nucleosynthesis of carbon in stars through the triple-alpha process. For 12C the $\Psi_{T}$ are linear combinations of shell-model and alpha-cluster states. Figure 4: Convergence of the ground state (lower curves) and Hoyle state (upper curves) for different initial states as a function of imaginary time. Figure 4 shows the convergence of the calculations of the ground and Hoyle states in the agfmc calculations. Two different sets of initial states are propagated to $\tau\approx 1.0\,\mbox{MeV}^{-1}$; they yield consistent results. The ground-state energy is well reproduced, and the Hoyle state excitation energy is approximately reproduced (see [10, 11] for complementary calculations of the Hoyle state). The ground-state form factor of 12C is also reproduced by these calculations. Other recent applications of agfmc include pair momentum distributions [12], electromagnetic transitions [13], and the studies of trapped neutrons (“drops”) described in Sec. 2.3.4. #### 2.1.2 NCSM and mfdn The measured lifetime of 14C, $5730\pm 30$ years, is a valuable chronometer for many practical applications ranging from archeology to physiology. It is anomalously long compared with lifetimes of other light nuclei undergoing the same decay process, allowed Gamow-Teller (GT) beta decay. This lifetime poses a major challenge to theory because traditional realistic nucleon-nucleon (NN) interactions alone appear insufficient to produce the effect [14]. Since the transition operator, in leading approximation, depends on the nucleon spin and charge but not the spatial coordinates, this decay provides a precision tool to inspect selected features of the initial and final nuclear states. To convincingly explain this strongly inhibited transition, we need a microscopic description that introduces all physically relevant 14-nucleon configurations in the initial and final states and a realistic Hamiltonian. Figure 5: Contributions to the 14C beta decay matrix element as a function of the harmonic oscillator shell when the nuclear structure is described by a chiral effective field theory interaction (adopted from [15]). The top panel displays the contributions with (two right bars of each triplet) and without (leftmost bar of each triplet) the 3NF at $N_{\max}=8$. Contributions are summed within each shell to yield a total for that shell. The bottom panel displays the running sum of the GT contributions over the shells. Note the order-of-magnitude suppression of the $0p$-shell contributions arising from the 3NFs. Since the nuclear strong interaction governs the configuration mixing, the Hamiltonian matrix eigenvalue problem is a very large, sparse matrix in the configuration space of 14 nucleons. We address this computational challenge with the mfdn code [16, 17, 18, 19]. Aided by a collaboration with applied mathematicians on scalable eigensolvers and computational resources on leadership-class machines, we are able to solve this beta decay problem with sufficient accuracy to resolve the puzzle: the decay is inhibited by the role of 3-nucleon forces (3NFs) as shown in Fig. 5 (see [20] for complementary calculations). We obtained our results on the Jaguar supercomputer (see Sec. 4) using up to 35,778 hex-core processors (214,668 cores) and up to 6 hours of elapsed time for each set of low-lying eigenvalues and eigenvectors. The number of nonvanishing matrix elements exceeded the total memory available and required matrix element recomputation “on the fly” for the iterative diagonalization process employing the Lanczos algorithm. These calculations and many other achievements [21] were made possible by dramatic improvements to mfdn capabilities during the UNEDF project [22]. The current scaling performance of mfdn is demonstrated in Fig. 6. Other recent applications of mfdn include the prediction (before experimental confirmation) of the spectroscopy of proton-unstable 14F [23] and studies of trapped neutrons (“drops”) with a variety of interactions and other ab initio computational methods [24]. Figure 6: Strong scaling for mfdn: speedup for 500 Lanczos iterations (the most time-consuming phase of the code). Two problems are shown with their dimension (D) and number of nonzero matrix elements (NNZ) in the legend. The smaller is 7Li (D=6.2 million, NNZ=118 billion), and the larger is 10B (D=160 million, NNZ=5.2 trillion). The smaller problem needs at least 1 TB in order to store all nonzero matrix elements in core and needs, therefore, at least 728 cores to fit the problem in core. The larger problem needs at least 42 TB, and we used between 30,624 and 261,120 cores for that problem. #### 2.1.3 NCSM and the resonating group method Weakly bound nuclei, or even unbound exotic nuclei, cannot be understood by using only bound-state techniques. Our ab initio many-body approach, no-core shell model with continuum (NCSMC), focuses on a unified description of both bound and unbound states. With such an approach, we can simultaneously investigate structure of nuclei and their reactions. The method combines square-integrable harmonic-oscillator basis (i.e., via the NCSM [21]) accounting for the short- and medium-range many-nucleon correlations with a continuous basis (i.e., via the NCSM with the resonating group method (NCSM/RGM) [25, 26]) accounting for long-range correlations between clusters of nucleons. With this technique, we can predict the ground- and excited-state energies of light nuclei ($p$-shell, $A{\leq}16$) as well as their electromagnetic moments and transitions, including weak transitions. Furthermore, we can investigate properties of resonances and calculate characteristics of binary nuclear reactions (e.g., cross sections, analyzing powers). Recent applications of our ab initio techniques include an investigation of the unbound 7He [27], calculations of 3H($d$,$n$)4He and 3He($d$,$p$)4He fusion [28] (see Fig. 7), and calculation of the 7Be($p$,$\gamma$)8B radiative capture [29], which is important for the standard solar model and neutrino physics (see Fig. 8). We also developed a three-cluster extension of the method to describe the Borromean nuclei (e.g., 6He and 11Li). Figure 7: Experimental results for S-factor of 3He($d$,$p$)4He reaction from beam-target measurements. The full line represents the ab initio calculation. No low-energy enhancement is present in the theoretical results, contrary to the laboratory beam-target data represented by symbols; see [28] for details. Figure 8: Ab initio calculated 7Be($p$,$\gamma$)8B S-factor (solid line) compared with experimental data and the calculation used in the latest evaluation (dashed line); see [29] for details. #### 2.1.4 Coupled-cluster method The coupled-cluster method [30, 31, 32, 33] exhibits a favorable scaling that grows polynomially with the mass number of the nucleus and the size of the model space. The UNEDF collaboration employed an $m$-scheme-based coupled- cluster code [34] and an angular-momentum coupled code [35]. The latter exploits the preservation of angular momentum and pushed ab initio computation with “bare” interactions from chiral effective field theory [36] to medium- mass nuclei [37]. Coupled-cluster theory is based on a similarity-transformed Hamiltonian and employs a nontrivial vacuum such as the Hartree-Fock state. In practice, one iteratively solves a large set of nonlinear coupled equations. The exploitation of rotational invariance considerably reduces the number of degrees of freedom but comes at the cost of working in a much more complicated scheme (involving angular momentum algebra) that poses challenges for a scalable and load-balanced implementation. During UNEDF, several conceptual advances in physics and computing were made with the coupled-cluster method. On the physics side, these include the angular-momentum coupled implementation of the coupled-cluster method [37], the use of a Gamow basis for computation of weakly bound nuclei [38, 39], a practical solution to the center-of-mass problem in nuclear structure computations [40], the extension of the method to nuclei with up to two nucleons outside a closed subshell [41], the approximation of three-nucleon forces as in-medium correction to nucleon-nucleon forces [42, 43, 44], and the development of theoretically founded extrapolations in finite oscillator spaces [45]. On the computational side, scaling was improved by a work- balancing approach [46, 47] based on MPI and OpenMP such that the model-space size has increased from ten oscillator shells at the inception of UNEDF [48] to 20 oscillator shells at UNEDF’s completion [44]. Figure 9 shows how adding the use of MPI and OpenMP in V2.0 improved the code’s scalability to thousands of cores, beyond a few hundred cores in V1.0 using MPI only, when calculating the small system of 40Ca in 12 oscillator shells. Figure 9: Comparison of runtime for 40Ca in 12 oscillator shells using MPI only V1.0 and hybrid MPI/OpenMP V2.0. Solid lines show total runtime; dashed lines show runtime of triples calculation only. We note that the number of single-particle orbitals grows as the third power with the number of oscillator shells and that the number of computational cycles – in the coupled-cluster method with singles and doubles (CCSD) approximation – grows as $n_{\rm o}^{2}n_{\rm u}^{4}$ (where $n_{\rm o}$ and $n_{\rm u}$ are the numbers of occupied and unoccupied single-particle states, respectively). Thus, conceptual and algorithmic improvements during UNEDF allowed us to solve problems that naïvely required an increase of computational cycles by about a factor 4,000. The combined efforts culminated in the computation of neutron-rich isotopes of oxygen [44] and calcium [49]. Doubly magic nuclei are the cornerstones for our understanding of entire regions of the nuclear chart within the shell model. For this reason, studies on the evolution of structure in neutron-rich semi-magic isotopes of oxygen, calcium, nickel, and tin are central to experimental and theoretical efforts. With 40,48Ca being doubly magic nuclei, many studies were aimed at understanding the structure of the rare isotopes 52,54Ca and questions regarding the $N=32,34$ shell closures [50, 51, 52, 53, 54]. A first-principles description of rare calcium isotopes is challenging because it requires the control and understanding of continuum effects (due to the weak binding) and 3NFs (as often pivotal contributions arise at next-to-next- to leading order in chiral effective field theory [55, 56, 57]). Reference [49] reports coupled-cluster results for neutron-rich isotopes of calcium that include the effects of the continuum and 3NFs (see [58] for complementary calculations). It predicts a soft subshell closure in the $N=32$ nucleus 54Ca and an ordering of single-particle orbitals in neutron-rich calciums that is at variance with naïve shell-model expectations. Figure 10 shows the computed energies of the first excited $J^{\pi}=2^{+}$ state in some isotopes of calcium and compares them with available data. The high excitation energy in 48Ca is due to its double magicity, and the somewhat increased excitation energies in 52,54Ca suggest that these nuclei exhibit a softer subshell closure. Where data are available, the theoretical results agree well with experiment. For 54Ca, theory made a prediction that has recently been verified experimentally [59]. Figure 10: Excitation energies of $J^{\pi}=2^{+}$ states in Ca isotopes. The theoretical results (red squares) agree well with data (black circles) and predict a soft subshell closure in 54Ca. ### 2.2 Configuration interaction The nuclear shell model has been very effective in describing the physics of larger nuclei beyond the current reach of pure ab initio methods; indeed, Eugene Wigner, Maria Goeppert-Mayer, and J. Hans D. Jensen were awarded the 1963 Noble prize for the fundamental symmetries and mean field features that underlie the successful nuclear shell model. The shell model for larger nuclei uses the same configuration interaction methods as the NCSM methods described previously, but with more truncated model spaces where not all nucleons are “active” and with effective interactions tailored for these spaces. Since there are numerous challenging physical applications in nuclear physics that vary across the periodic table, different CI approaches are needed to efficiently exploit the available computational resources. CI approaches developed or improved within UNEDF include the following: * 1. No-core shell model in the $m$-scheme basis (mfdn [16, 18, 19]; bigstick [60, 61, 62]). * 2. No-core shell model in a coupled angular momentum basis (mfdnj [63, 64]). * 3. Shell model with a core in a coupled angular momentum basis (nushellx [65, 62]). UNEDF took advantage of common elements in the various CI approaches to improve the effectiveness of the nuclear shell model for all nuclei. These CI codes utilize an input NN interaction file and a Coulomb interaction between the protons. They all work in the neutron-proton basis (i.e., break isospin) and allow for charge-dependent NN interactions. In addition, several of these codes accept 3NFs as input. All these codes evaluate the spectra, wavefunctions, and a suite of observables for low-lying states of the nucleus. The implemented algorithms differ considerably among the codes as well as support systems for processing the output files generated, such as the wavefunctions and one-body density matrices, both static and transition. Numerous cross-comparisons between the codes have been accomplished and their respective accuracies confirmed. Eigenenergies are obtained to the accuracy of 1 keV or better. Other observables are found to differ at the level of a few percent because of numerical noise in the wavefunctions. Except for mfdnj (which followed mfdn), the codes evolved along independent paths, which emphasized various strategic physics and technological goals. For example, the challenges of addressing heavier nuclei impel working with a nuclear core; the challenges of working with leadership-class machines versus local clusters drive some of the algorithmic decisions. The burden of communications and memory restrictions help resolve the challenge of store-in- memory versus recompute-on-the-fly strategies that are implemented differently in these CI codes. In light of the need to store large amounts of data for retrieval, postanalyses, and reproducibility, we have developed a prototype database management system. This prototype records in the database the metadata of every run. The data referenced in the database may include physical observables, one-body density matrices, and wavefunctions that result from the ab initio codes; such data are typically stored on the platforms where runs are performed. A user can access this database over the web and find out whether the runs of interest have already been performed and where the results may be located. ### 2.3 Nuclear density functional theory Because of the enormous configuration spaces involved, the properties of complex heavy nuclei are best described by the superfluid nuclear density functional theory [66] – rooted in the self-consistent Hartree-Fock-Bogoliubov (HFB), or Bogoliubov-de Gennes, problem. The main ingredient of nuclear DFT is the effective interaction between nucleons captured by the energy density functional. Since the nuclear many-body problem involves two kinds of fermions, protons and neutrons, the EDF depends on two kinds of densities and currents [67, 68]: isoscalar (neutron-plus-proton) and isovector (neutron- minus-proton). The coupling constants of the nuclear EDF are usually adjusted to selected experimental data and pseudodata obtained from ab initio calculations. The self-consistent HFB equations allow one to compute the nuclear ground state and a set of quasiparticles that are elementary degrees of freedom of the system and that can be used to construct better approximations of the excited states. The HFB equations constitute a system of coupled integro-differential equations that can be written in a matrix form as a self-consistent eigenvalue problem, where the dependence of the HFB Hamiltonian matrix on the eigenvectors (quasiparticle wavefunctions) induces nonlinearities. The atomic nucleus is also an open system having unbound states at energies above the particle emission threshold, and this has implications for the nuclear DFT. The finiteness of the HFB potential experienced by a nucleon implies that the energy spectrum of HFB quasiparticles contains discrete bound states, resonances, and nonresonant continuum states [69]. The size of the continuum space may become intractable, especially for complex geometries where self-consistent symmetries are broken. To this end, one has to develop methods [70] to treat HFB resonances and nonresonant quasiparticle continuum without resorting to the explicit computation of all states. The application of high-performance computing, modern optimization techniques, and statistical methods has revolutionized nuclear DFT during recent years, in terms of both developing new functionals and carrying out advanced applications. Optimizing the performance of a single HFB run is crucial for making the EDF optimization [71, 72] manageable and quickly computing tables of nuclear observables [73, 74, 75, 76], in order to assess theoretical uncertainties. These advances are described in the following sections. #### 2.3.1 DFT solvers Solutions of HFB equations can be obtained either by direct numerical integration on a mesh, provided proper boundary conditions are imposed on the domain, or by expansion on a basis. For the latter case, the harmonic oscillator (HO) basis proves particularly well-adapted to nuclear structure problems, as it offers analytical, localized solutions with convenient symmetry and separability features. Although solving the HFB equations for a given nuclear configuration is relatively fast on modern computers, accurate characterization of nuclear properties often requires simultaneous computations of many different configurations, from a few dozen (e.g., one- quasiparticle configurations in odd mass nuclei) to a few billion or more in extreme applications (such as probing multidimensional potential energy surfaces of heavy nuclei during the fission process). The two primary DFT solvers based on HO expansion used by the collaboration are hfbtho [77] and hfodd [78]; see [79] and [80], respectively, for their latest releases. Both codes solve the HFB equations for generalized Skyrme functionals in a deformed HO basis and have been carefully benchmarked against one another up to the 1 eV level. hfbtho assumes axial and time-reversal symmetry of the solutions, making it a very fast program (execution completes in typically less than 1 minute on a single node). It is particularly suited for EDF optimization (see Sec. 2.3.3) or large-scale surveys of nuclear properties [74, 75]. The solver hfodd is fully symmetry-unrestricted: this versatility is necessary for science applications such as the computation of fission pathways [81] or description of high-spin states [82]. The new versions of each solver benefited significantly from recent advances in high-performance computing and from collaborations with computer scientists in UNEDF. By expanding the use of tuned blas and lapack libraries, significant performance gains were reported for both codes and enabled new, large-scale studies [83]. The speed of hfbtho was further improved by a factor of 2 by incorporating multithreading; hfodd was turned into a hybrid MPI/OpenMP program: nuclear configurations are distributed across nodes, while on-node parallelism is implemented via OpenMP acceleration. Figure 11: Algorithmic improvements to hfodd. Top: Convergence for a typical HFB calculation in the ground state of 166Dy with hfodd version 2.49t [80]. Using the Broyden method to iterate the nonlinear HFB equations has provided significant acceleration compared with traditional linear mixing techniques. Bottom: Comparison between the augmented Lagrangian method (black squares) and the standard quadratic penalty method (open squares) for the constrained HFB calculations of the total energy surface of 252Fm in a two-dimensional plane of elongation, $Q_{20}$, and reflection-asymmetry, $Q_{30}$. (From [84].) Figure 11 illustrates two algorithmic improvements to the DFT solver hfodd. The implementation of the Broyden method for nonlinear iterative problems [85] has reduced substantially the number of iterations needed to converge the solution in practical applications. The second example shows the application of the augmented Lagrangian method (ALM) to fission in 252Fm [84]. This method is generally used for constrained optimization problems; it allows precise calculations of multidimensional energy surfaces in the space of collective coordinates. Indeed, while the standard quadratic penalty method often fails to produce a solution at the required values of constrained variables on a rectangular grid, the ALM performs well in all cases. Both improvements displayed in Fig. 11 are key to producing realistic large-scale surveys of fission properties in heavy nuclei on leadership-class computers, where walltime is limited and expensive. Another HFB solver developed by UNEDF is hfb-ax. It is based on the B-splines representation of coordinate space and preserves axial symmetry and space inversion [86]. The solver has been carefully benchmarked with hfbtho and used in several applications involving complex geometries, such as fission [87] and competition between normal superfluidity and Larkin-Ovchinnikov (LOFF) phases of polarized Fermi gases in extremely elongated traps [88]. Hybrid parallel programming (MPI+OpenMP) has been implemented in hfb-ax to treat large box sizes that are important for weakly bound heavy nuclei. New generations of DFT solvers will be taking advantage of emerging architectures, such as GPUs, and new programming paradigms. In particular, the cost of performing dense linear algebra in both hfbtho and hfodd can become prohibitive as the size of the HO basis increases, especially for more realistic energy functionals involving some form of nonlocality; this necessitates novel techniques to handle many-body matrix elements [89]. The massive amount of data generated by large-scale DFT simulations will also require significant investments in visualization and data-mining techniques. #### 2.3.2 Multiresolution 3D DFT framework Figure 12: Quasiparticle wavefunction for a DFT simulation (left, top) and its six levels of multiresolution structure (left, bottom). The refinement structure is especially noticeable at levels 5 and 6. Right: The parallel speedup of one iteration of madness-hfb, for solving the DFT problem for 1,640 3D quasiparticle wavefunctions with over 4.4 billion equations and unknowns; this simulation was performed within a box with a spatial dimension of 120 fermis, using 8 multiwavelets, up to level 8+ of refinement, and with a relative precision of $10^{-6}$. A parallel, adaptive, pseudospectral-based solver, madness-hfb, has been developed to tackle the fully symmetry-unrestricted HFB problem for both real and complex wavefunctions in large and asymmetric boxes. The main mathematical and algorithmic advantage of madness-hfb is its multiscale-multiresolution and sparse approximation of functions and the application of operators in coordinate space with guaranteed accuracy but finite precision. madness-hfb prefers to work with functions and operators with pseudo-spectral approximations based on a multiwavelet basis (up to order 30). Since the multiwavelets consist of smooth, singular, and discontinuous functions with spatial locality (compact support), they are well suited for localized approximation of weak singularities and discontinuities or regions of high curvature [90, 91, 92]. Gibbs effects are also reduced. The object-oriented (OO) nature of the software and template-based programming allow each wavefunction and each integral or differential operator to have its own boundary condition and its own sparse pseudospectral expansion. The usual boundary conditions (e.g., Dirichlet, Neumann, Robin, quasi-periodic, free, and asymptotic conditions) are supported. Fast applications of Green’s function for the direct solution of Poisson’s equation and the Yukawa scattering kernel are available [93, 94, 95]. In the multiwavelet representation, these approximate Green’s functions and their applications are again based on sparse data with guaranteed precision, in contrast to dense tensors based on the use of some other basis sets. Other Green’s functions can also be constructed. If desired, the user can specify solvers and routines from other dense and sparse linear algebra packages such as lapack or scalapack. For example, parallel and vectorized adaptive quadrature permit the construction of the Hamiltonian matrix in the usual manner by using the $\ell_{2}$ norm. The Hamiltonian can be diagonalized by using multithreaded lapack (or a parallel eigensolver), and the eigenvectors can be converted back to coefficients for the multiwavelet representation. Other capabilities, such as high-order approximation of propagators and time-stepping required for the solution of time-dependent DFT, are also available from applications in time-dependent molecular DFT, as well as from simulation of attosecond dynamics [96, 97]. Underlying this mathematical capability is a parallel runtime system that permits the software to scale to hundreds of thousands of processors and runs on platforms from laptops to leadership-class computers. The ability to use laptops and workstations is particularly attractive for model and code development and testing. In addition, the embedding of a parser permits the OO-based C++ templated codes representing operations on the coefficients of each wavefunction to be executed as parallel tasks. This parser permits out- of-order, distributed multithread executions with task- and data-dependency analysis. This reduces the stalling of execution units due to data dependencies. A user-configured and executed parallel load-balancing method is also available, as is a parallel checkpoint and restart method. The 3D madness-hfb has been benchmarked with the spline-based 2D solver hfb-ax [86], 3D hfodd [80], and the 1D code hfbrad [98] for a variety of problems. Because madness-hfb has no limit on the size of the computational domain, we were able to capture quasiparticle wavefunctions with long tails or nonsymmetric potentials with steep curvatures and cut-offs to overcome some of the limitations of the other solvers. The adaptive structure is illustrated in Fig. 12. The current madness-hfb approach to the HFB problem is as follows [99]. Let the coefficients of the wavefunctions in the tensor product multiwavelet representation be the unknowns. The user provides an initial relative precision, a set of initial wavefunctions (e.g., in terms of the HO basis, splines, etc.), and boundary conditions to start the iterative procedure. All the functions, potentials, operators, and expansion lengths are adaptively represented as needed by the user-defined precision. A generalized matrix eigenvalue problem is formed by adaptive quadrature. The solution eigenvectors are converted to a sparse multiwavelet representation for updating the lengths of the expansion and the coefficients in the potentials, gradients, and other terms before the next iteration and diagonalization. The speed and performance depend on the number of coefficients. Usually, the simulations begin with a low relative precision, to capture the low-order terms quickly, before adaptively increasing the order of approximation and the precision for more accurate results. #### 2.3.3 EDF optimization One of the focus areas of UNEDF was the development of an optimization protocol for determining the coupling constants of nuclear EDFs. In particular, the collaboration paid special attention to estimating the errors associated with such a procedure and exploring the correlations among the coupling constants. The UNEDF optimization protocol was established by focusing on the Skyrme energy density. We recall that, in this framework, the energy of an even-even nucleus in its ground state is a functional of the one- body density matrix and the pairing tensor. The Skyrme energy density reads $\displaystyle\chi_{t}(\bm{r})$ $\displaystyle=$ $\displaystyle C_{t}^{\rho\rho}\rho_{t}^{2}+C_{t}^{\rho\tau}\rho_{t}\tau_{t}+C_{t}^{J^{2}}\bm{J}_{t}^{2}$ (1) $\displaystyle+C_{t}^{\rho\Delta\rho}\rho_{t}\Delta\rho_{t}\ +C_{t}^{\rho\nabla J}\rho_{t}\bm{\nabla}\cdot\bm{J}_{t},$ where the isospin index $t$ labels isoscalar ($t$=0) and isovector ($t$=1) densities, $\rho_{t}$ is the one-body density matrix, and $\tau_{t}$ and $\bm{J}_{t}$ are derived from $\rho_{t}$ [67]. In the pairing channel, we took a density-dependent pairing energy density with mixed surface and volume nature, characterized by the two pairing strengths $V_{0}^{(n)}$ and $V_{0}^{(p)}$ for neutrons and protons, respectively. The set of coupling constants $C_{t}^{uu^{\prime}}$, $V_{0}^{(n)}$, and $V_{0}^{(p)}$ are the parameters $x$ to be determined. The development of fast DFT solvers (see Sec. 2.3.1), together with the availability of leadership-class computers, permitted us for the first time to set up an optimization protocol at a fully deformed HFB level. Our first parametrization, unedf0, was obtained by considering only three types of experimental data: nuclear binding energies of both spherical and deformed nuclei, nuclear charge radii, and odd-even mass differences in selected nuclei [71]. After recognizing that deformation properties needed to be better constrained [100], a fourth data type, corresponding to excitation energies of fission isomers in the actinides, was added. The resulting parametrization, unedf1, gave a significantly better description of fission properties [72], see Fig. 13 (bottom). With the oncoming unedf2 parametrization, we will expand the optimization data set with single-particle level splittings. The new data are expected to better constrain the tensor coupling constants and improve single-particle properties. Figure 13: Top: Performance of the pounders algorithm on the minimization of the $\chi^{2}$ of Eq. (2) as compared with the standard Nelder-Mead method. Bottom: Fission pathway for 240Pu along the mass quadrupole moment $Q_{20}$ calculated with SkM∗, unedf0, and unedf1 EDFs. The experimental energy of fission isomer ($E_{II}$) and the inner ($E_{A}$) and outer ($E_{B}$) barrier heights are indicated [72]. Formally, we solve the optimization problem $\min_{x}\left\\{\chi^{2}(x)=\sum\limits_{i=1}^{n_{d}}\left(\frac{s_{i}(x)-d_{i}}{w_{i}}\right)^{2}:x\in\Omega\subseteq\mathbb{R}^{n_{x}}\right\\},\,$ (2) where $d\in\mathbb{R}^{n_{d}}$ represents the experimental data, $w>0$ represent weights, and the parameters $x$ to be determined are possibly restricted to lie in a domain $\Omega$. This problem is made difficult because some of the derivatives with respect to the parameters $x$, $\nabla_{x}s_{i}(x)$, may be unavailable for some of the theory simulation observables $s_{i}$. Traditional approaches for solving (2) in the absence of derivatives typically either estimate these derivatives by finite differencing or treat $\chi^{2}$ as a black-box function of $x$. The former approach can be sensitive to the choice of the difference parameter, and care must be taken that the expense of the differencing does not grow unnecessarily as the number of parameters $n_{x}$ grows. The latter neglects the structure (in the form of the $n_{d}$ residuals) inherent to (2). In UNEDF, we instead employed a new optimization solver, pounders, that exploits the structure in nonlinear least-squares problems and avoids directly forming computationally expensive derivative approximations. pounders follows a model-based Newton-like approach, where the first- and second-order information is inferred by iteratively forming local interpolation models for each residual. Figure 13 (top) shows the efficiency of the solver: not only does it converge faster than the standard Nelder-Mead algorithm, but it also gives a more accurate solution. pounders is available in the open-source Toolkit for Advanced Optimization (TAO [101]). #### 2.3.4 Neutron droplets and DFT The properties of homogeneous and inhomogeneous neutron matter play a key role in many astrophysical scenarios and in the determination of the symmetry energy [102, 103, 104]. The equation of state of homogeneous neutron matter has been studied in many earlier investigations (see, e.g., [105]). Since neutron matter is not self-bound, inhomogeneous neutron matter has been theoretically investigated by confining neutrons in external potentials. Although neutron drops cannot be realized in experimental facilities, they provide a model to study neutron-rich isotopes [106, 107, 108] and can bridge ab initio methods and DFT. The external potential confining neutrons has been chosen to change the geometry and density of the system. A Woods-Saxon form produces saturation, making neutron drops similar to ordinary nuclei. Instead, a harmonic potential permits one to better control the calculation of larger systems and to test the approach to the thermodynamic limit. Figure 14: Calculated total energies for neutron droplets in $\hbar\omega=5\,{\rm MeV}$ and $10\,{\rm MeV}$ harmonic potentials as a function of the neutron number $N$. The figure shows AFDMC, GFMC, SLy4, and adjusted SLy4 results of [109] together with the unedf0 and unedf1 results. Nuclear EDFs are commonly optimized to reproduce properties of nuclei close to stability, with close numbers of protons and neutrons. The use of such functionals to study neutron-rich nuclei or the neutron star crust requires large extrapolations in neutron excess. In [109], neutron droplets were studied by using QMC methods starting from a realistic nuclear Hamiltonian that includes the Argonne AV8’ two-body interaction supported by the Urbana IX three-body force. This Hamiltonian fits nucleon-nucleon phase shifts, gives a satisfactory description of light nuclei, and produces an equation of state of neutron matter that is compatible with recent neutron star observations [110]. The neutron drop’s energy calculated by using QMC methods was compared with DFT calculations. The QMC results showed that commonly used Skyrme EDFs typically overbind neutron drops and that this effect is due mainly to the neutron density gradient term. The adjustment of the gradient together with the pairing and spin-orbit terms improves the agreement between ab initio QMC calculations with Skyrme both for the energy and for neutron densities and radii [109]. These results can be compared with the predictions of unedf0 and unedf1 EDFs. Figure 14 shows the calculated total energies for neutron droplets in $\hbar\omega=5\,{\rm MeV}$ and $10\,{\rm MeV}$ harmonic potentials. The auxiliary field diffusion Monte Carlo (AFDMC) and GFMC QMC results of [109], calculated with the AV8’+UIX interactions, agree well with the DFT calculations [72]. These are encouraging, since neither unedf0 nor unedf1 was optimized to the pure neutron matter data. Future EDF optimization schemes will use ab initio results on neutron droplets as pseudodata to improve EDF properties in very neutron-rich nuclei. #### 2.3.5 Ab initio functionals Figure 15: Top: Deformation energy curves for 100Zr calculated using microscopic EDFs derived from chiral EFT interactions at different orders [111]. Bottom: Comparison of microscopic EDF calculations of neutron drops at increasing levels of approximation with full NCFC calculations starting from the same Hamiltonian [112]. In parallel with efforts to improve the optimization of nuclear EDFs with conventional Skyrme-type terms, UNEDF members sought to construct ab initio functionals based on microscopic chiral effective field theory (EFT) [113]. A pathway to such functionals was opened with the development of new renormalization group methods, which led to softer nuclear Hamiltonians, including three-body forces [114]. These soft interactions dramatically improve convergence properties in many-body calculations [115], extending the reach of ab initio methods to heavier systems [116, 117, 118]. At the same time, they make feasible the construction of a microscopically based EDF using many-body perturbation theory [119] together with improved density matrix expansion (DME) techniques [120, 121, 122]. Carrying out this long-term program by individual researchers would be a formidable task, but progress was made possible within UNEDF by teaming up with two of the physics–CS/AM partnerships described earlier. An intermediate step toward a fully ab initio EDF was a new hybrid functional that incorporated long-range chiral EFT interactions to describe pion-range physics and a set of Skyrme-like contact interactions with coupling constants to be fit. The resulting functional has a much richer set of density dependencies than do conventional Skyrme functionals. These were incorporated in the DFT solvers, and new preoptimization procedures were developed by the DFT functional group [111]. A proof-of-principle test in the top panel of Fig. 15 shows deformation energies in 100Zr calculated using the DME functional at different orders in the chiral expansion (LO, NLO, N2LO). The deviations from the Skyrme result show nontrivial effects from the finite-range nature of the underlying NN and 3N interactions [111]. On-going work includes a rigorous optimization with the procedure outlined in Sec. 2.3.3 and then detailed evaluations of the predictive power of the DME functional. In order to directly validate the new DME procedures used in [111], it was necessary to benchmark against exact results. The first-ever such calculations were made possible by teaming up with the NCSM–mfdn effort (see Sec. 2.1.2) using neutron droplets as a controlled theoretical test environment as in Sec. 2.3.4. The DME functional was constructed and evaluated for the _same_ (model) Hamiltonian used to generate exact results from mfdn [112] for different numbers of neutrons and varied traps. Figure 15 (bottom) shows the agreement between no-core full configuration (NCFC) results and microscopic EDF calculations at different levels of approximation [112], which validates the optimal strategy used to construct a microscopically based EDF (the points labeled “fit”), while establishing theoretical error bars. Further important DME developments made by external collaborators in the FIDIPRO project [123, 124] will be tested in future investigations. ### 2.4 Beyond DFT Static DFT provides excellent tools for investigating nuclear binding energies and other ground-state properties. In certain cases, it also can be used to treat dynamical processes. The path to scission during fission, for example, sometimes can be predicted accurately by static DFT. A reliable description of excitation/decay and reactions, however, usually requires methods that go beyond static DFT. Since an ab initio treatment of the nuclear time-evolution is difficult, we employ extensions of DFT and related ideas. The simplest extension, the quasiparticle random phase approximation (QRPA), can be viewed as an adiabatic approximation to the linear response in time-dependent DFT. It provides the entire spectrum of excitations with the same EDF used in static DFT. The adiabatic approximation is, of course, severe (as are the approximations in the density functional itself) but can be applied in any nucleus and folded with reaction theory. DFT-based QRPA and its applications to nuclear excitation and reactions are discussed in Sec. 2.4.1. DFT-based methods that go beyond the adiabatic approximation are also now in use. One can exploit the relatively simple dynamics of Fermi gas systems to construct an approximate time-dependent extension of DFT, the time-dependent superfluid local density approximation (TDSLDA). The approximation and related computational techniques can be applied to such classic problems as photoabsorption but also to other time-dependent processes that go beyond linear response. The TDSLDA and its applications are discussed in Sec. 2.4.2. We also need efficient methods to accurately compute average properties of excited states, such as spin- and parity-dependent level densities, which suffice to treat reactions that proceed primarily through a compound nucleus. Obtaining these densities through a direct diagonalization of the nuclear Hamiltonian and a subsequent level counting is not efficient, but several techniques based on statistical spectroscopy can be used instead. However, even statistical spectroscopy poses computational challenges that demand high- performance computational techniques and resources. Some advances in computational spectroscopy, leading to the first accurate calculation of densities of levels with unnatural parity, are described in Sec. 2.4.3. #### 2.4.1 QRPA and reactions Members of the UNEDF collaboration developed and exploited both an extremely accurate spherical Skyrme QRPA code [125] and an equally accurate, though computationally much more intensive, deformed (axially symmetric) Skyrme QRPA code [126]. The latter, which can treat both spherical and deformed nuclei, is at the forefront of the modern QRPA. Other groups have developed their own versions of the deformed Skyrme, Gogny, or relativistic QRPA [127, 128, 129, 130, 131]; most of these have some disadvantages compared with ours (e.g., a lack of full self-consistency, oscillator bases that don’t capture continuum physics, etc.) but also the occasional advantage (e.g., full continuum wavefunctions rather than the approximate representation of the continuum we describe below). Both our spherical and deformed codes diagonalize the traditional QRPA A-B matrix [132], constructed from single-quasiparticle states in the canonical basis [132] in a large box (typically 20 fm in each coordinate), so that continuum states are taken into account in discretized form. Both codes work with arbitrary Skyrme density functionals plus delta pairing, include all rearrangement terms, and break neither parity nor time-reversal symmetries. Both output transition amplitudes to the entire spectrum of excited states. The two codes have some differences as well. The spherical code gets its single-quasiparticle wavefunctions, represented on an equidistant mesh, from an HFB program called hfbmario, which derives from the code hfbrad [69]. The deformed code takes its wavefunctions from the Vanderbilt HFB program [133], which uses B-splines to represent wave functions. Each QRPA code represents those wavefunctions in the same manner as the HFB programs it relies on. Both QRPA codes have been tested in many ways, including against one another. With the spherical code, we calculated energy-weighted sums in Ca, Ni, and Sn isotopes from the proton drip line through the neutron drip line for $J^{\pi}=0^{+},$ $1^{-}$, and $2^{+}$ multipoles with Skyrme parameter sets SkM∗ and SLy4 and found excellent agreement with analytical values [125]. Spurious states in the $J^{\pi}=0^{+}$, $1^{+}$, and $1^{-}$ channels are well separated from physical states in both codes, though the spherical one performs a bit better because it can include all combinations of HFB two- quasiparticle states in the QRPA basis without making the calculation intractable. The collaboration used the spherical QRPA to study systematics of $2^{+}$ states across the table of isotopes and for microscopic calculations of reaction rates; they used the deformed version for a more limited study of $2^{+}$ states and giant resonances in rare-earth nuclei [134]. The collaboration also used transition densities from the spherical QRPA to calculate nucleon-nucleus scattering. The transition amplitudes produced by our spherical matrix QRPA, when combined with single-particle wave functions, yield radial transition densities. These can in turn be folded with the interaction between the projectile and the nuclear constituents (i.e., the nucleon-nucleon interaction) to produce transition potentials that excite target states. References [135, 136, 137] report the development of a code to fold the densities for all QRPA states below 30 MeV with a Gaussian-shaped nucleon-nucleon potential. The result is a microscopic coupled-channels calculation that successfully produces angular distributions and inelastic cross sections for nucleon-induced reactions—quantities that can be compared directly with scattering data—at scattering energies between 10 and 70 MeV. To satisfactorily describe observed absorption, we had to explicitly couple also to all one-nucleon pickup channels leading to intermediate deuteron formation. Figure 16 illustrates the effect of such couplings on nucleon-induced absorption cross sections. The direct connection between the calculated cross sections and the nuclear structure ingredients makes this kind of reaction calculation a good test of the structure model. Figure 16: Reaction cross section as a function of incident energy for $p$ \+ 90Zr. The results are shown for couplings to the inelastic states (dash-dotted line) and to the inelastic and transfer channels with nonorthogonality corrections (solid line). The Koning-Delaroche [138] optical model calculations are also shown (dashed line). (Data from [139].) The collaboration also took significant steps to develop a much more efficient implementation of the QRPA. The finite amplitude method [140, 141] allows one to effectively take the derivatives of mean fields that enter the QRPA equations numerically, through relatively straightforward modifications to the mean-field codes themselves. A simple iterative procedure then solves the equations. Our initial application, to monopole resonances in the deformed nucleus 240Pu [142], consumes a small fraction of the time our matrix QRPA implementation would use (see [143, 144] for complementary work based on iterative Arnoldi diagonalization). #### 2.4.2 Time-dependent DFT for superfluid systems The application of DFT to nuclear physics requires two nontrivial elements: the ability to describe both superfluidity and time-dependent phenomena. In order to avoid the nonlocal character of the DFT extension to superfluid systems, the superfluid local density approximation (SLDA) and its time- dependent extension TDSLDA have been developed [145, 146, 147, 148, 149, 150, 151, 152, 153, 154]. SLDA and TDSLDA have been applied to a large number of fermionic systems and phenomena: vortex structure in neutron matter and cold atomic systems, generation and dynamics of quantized vortices and their crossing and reconnection, excitation of the Anderson-Higgs modes, the LOFF phase, quantum shock waves and excitation of domain walls, one- and two-nucleon separation energies, giant dipole resonance in superfluid triaxial nuclei, and complex collisions. In Fig. 17, we illustrate the case of a head-on collision of two superfluid fermion clouds, which was studied experimentally. Both SLDA and TDSLDA are derived by using appropriately determined EDFs with QMC input for homogeneous systems and validating the predictions on independent QMC calculations of inhomogeneous systems in the well-studied case of a unitary Fermi gas; see [147, 148, 150] for details. The form of the EDF for a unitary Fermi gas is largely determined by dimensional arguments; translational, rotational symmetry, and parity; gauge and Galilean covariance (which specifies the dependence on current densities); and renormalizability of the TDSLDA formalism. For nuclear systems we lack ab initio results of the same quality and rely on a more phenomenological approach, but with significant microscopic input. The nuclear EDFs should satisfy the usual symmetries [68] and the consistency with the best available ab initio results. The numerical implementation of the SLDA and TDSLDA equations leads to hundreds of thousands of coupled nonlinear 3D time-dependent PDEs, which are solved by using the discrete variable representation approach [155, 156] on desktops [147, 148, 149, 150] and—as a result of UNEDF collaborations with computer scientists—leadership-class supercomputers [150, 151, 152, 153, 154]. In Fig. 18 we illustrate the first calculation of the photoexcitation of a triaxial superfluid nucleus performed within TDSLDA (188Os) and two other axially deformed nuclei, as well as a comparison with the absolute experimental data (without any fitting parameters). The determination of the ground-state properties of these nuclei and their subsequent time-evolution required full diagonalizations of Hermitian matrices of sizes up to $5\cdot 10^{5}\times 5\cdot 10^{5}$ and solutions of $5\cdot 10^{5}$ coupled time- dependent 3D PDEs. Further studies of excitation of medium- and heavy-mass nuclei with $\gamma$-rays, neutrons, relativistic heavy ions, and induced nuclear fission are the next steps. Figure 17: Three consecutive frames of the head-on collision of two fermion clouds of $\approx$750 particles in which quantum shock waves and domain walls/solitons (topological excitations) are formed [152]. The $x$\- and $y$-directions have an aspect ratio of $\approx$30. Figure 18: Photoabsorption cross section (solid black line) calculated within TDSLDA using two Skyrme force parameterizations for three deformed open-shell nuclei and the experimental $(\gamma,n)$ cross sections (solid purple circles with error bars); see [153] for details. With dashed (green), dotted (red), and dot- dashed (blue) lines, we display the contribution to the cross section arising from exciting the corresponding nucleus along various symmetry axes. #### 2.4.3 Level densities The properties of the excited states of nuclei are key to reliably describing reactions and decays. One important type of reaction mechanism is the compound nuclear reaction, which can be described with the statistical model of Hauser and Feshbach [157]. The important ingredient entering the Hauser-Feshbach theory is the spin- and parity-dependent nuclear level density (NLD). Experimental information about NLD is limited for stable nuclei and not available for radioactive nuclides of interest for nuclear astrophysics. Therefore, a large effort is underway to accurately calculate NLD, and an interacting shell model approach would be the best model taking into account the relevant many body correlations beyond DFT. A direct approach by direct CI diagonalization and level counting is not feasible because of the exponential increase in CI dimensions. We recently proposed [158] an approach to calculate shell model spin- and parity-dependent NLD using methods of statistical spectroscopy. In addition, we showed [159] how one can improve this approach to calculate the unnatural parity NLD by removing the contribution due to the spurious center-of-mass excitations. The associated algorithms were implemented in a high-performance computer code, jmoments, [160, 161, 162], which runs on massively parallel computers and scales well up to 10,000 processors [160, 162]. Figure 19: Nuclear-level densities for positive parity (red curve) and negative parity (black curve) of 26Al compared with experimental data; the solid and dotted staircases represent upper and lower limits, respectively. Positive parity NLD is larger than negative parity NLD. Figure 19 shows positive- and negative-parity NLD for 26Al calculated with jmoments compared with the available experimental data obtained by level counting. Some known levels have no clear assignment of the parity, which leads to upper and lower limits. The calculated positive-parity NLD is not new, an $sd$-shell calculation being available for some time. However, the negative-parity NLD was calculated only recently by our approach [161]. ## 3 Uncertainty Quantification Figure 20: Top: unedf1 correlation matrix. Presented are the absolute values of the correlation coefficients between the parameters characterizing the energy density (1). Bottom: Theoretical extrapolations toward drip lines for the two-neutron separation energies $S_{2n}$ for the isotopic chain of even- even Zr isotopes using different EDFs (sly4, sv-min, unedf0, unedf1) [76] and frdm [163] and hfb-21 [164] mass models. Detailed predictions around $S_{2n}=0$ are illustrated in the inset. The bars on the sv-min results indicate statistical errors due to uncertainty in the coupling constants of the functional. Uncertainty quantification is a key element for assessing the predictive power of a model. When working with effective theories with degrees of freedom relevant to the problem, the parameters of the theoretical model often need to be adjusted to the empirical input. To quantify the model uncertainties, sensitivity analysis yields the standard deviations and correlations of the model parameters, usually encoded as a covariance matrix [165, 166, 167, 168]. The calculation of the covariance matrix requires computing derivatives of the observables with respect to the model parameters. When a closed-form expression for the derivatives is not available, we estimate the derivatives numerically using finite differences. To account for the numerical uncertainty associated with the underlying DFT-based calculations, we compute the “noise level” of each observable following the approach in [169]. The difference parameters used for estimating the Jacobian matrix associated with (2) are then obtained using these noise levels [170]. Uncertainty quantification was one of the key topics of the EDF optimization work performed in the UNEDF collaboration [71, 72]. The upper panel of Fig. 20 shows the unedf1 correlation matrix, obtained from the sensitivity analysis. As can be seen, some of the surface parameters of the unedf1 EDF are strongly correlated. In [76] we used this information to assess the robustness of the current EDFs in the predictions of the nuclear landscape limits. This is illustrated in the lower panel of Fig. 20, which shows calculated and experimental two-neutron separation energies for the isotopic chain of even- even zirconium isotopes. The differences between model predictions are small in the region where data exist and grow steadily when extrapolating toward the two-neutron drip line ($S_{2n}=0$). Nevertheless, the consistency between the models was found to be surprisingly good. This study required massive parallel calculations of the nuclear mass tables [75]. ## 4 High-Performance Computing Resources UNEDF science has benefited from access to some of the largest computers in the world, provided primarily by DOE’s Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program [171]. In particular, the largest computations of UNEDF were carried out on the “Jaguar” machine at Oak Ridge National Laboratory and the “Intrepid” machine at Argonne National Laboratory. Jaguar has gone through several processor upgrades during the project, taking it from 30,976 cores (Cray XT4 in 2008) to 298,592 cores (Cray XK6 in 2012); Intrepid is an IBM Blue Gene/P with 163,840 processing cores. Figure 21: UNEDF allocation and utilization (in millions of core-hours) of leadership-class computing resources from 2008 to 2013. Figure 21 shows the UNEDF utilization of these computing resources over the years 2008-2013 provided through INCITE. The figure highlights the increasing demand for computing time in low-energy nuclear physics research. The combined 2008 INCITE utilization across Jaguar and Intrepid was nearly 20 million core- hours and by 2012 had increased fourfold. This growth illustrates the increasing application of high-performance computing in nuclear theory enabled by the physics/computer science/applied mathematics collaborations fostered by UNEDF. For the 2013 calendar year, members of the SciDAC-3 NUCLEI project [172] were granted the sixth largest allocation of the 61 INCITE projects awarded, with a total allocation of 155 million core-hours across three leadership-class computing resources, Titan, Mira, and Intrepid. Titan is a Cray XK7, a hybrid CPU-GPU system with 299,008 CPU cores and 261,632 GPU streaming multiprocessors, and Mira is an IBM Blue Gene/Q with 786,432 processing cores. The substantial changes to computing systems at both Argonne and Oak Ridge, indicative of future trends in high-performance computing, create new computational challenges but also new possibilities to achieve larger and more accurate calculations. Through the close collaborations enabled through UNEDF, and now NUCLEI, members are working to continuously scale codes to increase physics capabilities and improve performance for efficient utilization of these leadership-class resources. ## 5 Conclusions The examples presented here illustrate the multifaceted outcomes of the UNEDF project, both in terms of landmark calculations of nuclear structure and reactions and in terms of how nuclear theory is done. The project was very productive, as can be assessed by going to the project’s website, http://unedf.org, which documents the concrete deliverables of UNEDF: publications, highlights, reports, conference presentations, and computer codes. UNEDF also placed great importance on recruiting the next generation of scientists. Annually it provided training to 30 young researchers. The UNEDF experience has been a springboard for advancement, with many UNEDF postdocs obtaining permanent positions at U.S. universities, national laboratories, and overseas institutions. Figure 22: Physics and computing in NUCLEI. The major areas of research are marked, together with connections between them and theoretical and computational tools. For more details, see [172]. By fostering broad new collaborative efforts between physicists, mathematicians, and computer scientists, the SciDAC-2 UNEDF project showed how to tackle scientific, algorithmic, and computational challenges in the era of extreme-scale scientific computing. This effort continues with the SciDAC-3 NUCLEI project [172], which builds on the successful strategies of UNEDF. Figure 22 shows the key elements of NUCLEI. ## Acknowledgments Support for the UNEDF and NUCLEI collaborations was provided through the SciDAC program funded by the U.S. Dept. of Energy (DOE), Office of Science, Advanced Scientific Computing Research and Nuclear Physics programs. This work was also supported by DOE Contract Nos. DE-FG02-96ER40963 (Univ. Tenn.), DE- AC52-07NA27344 (LLNL), DE-AC02-05CH11231 (LBNL), DE-AC05-00OR22725 (ORNL), DE- AC02-06CH11357 and DE-FC02-07ER41457 (ANL), DE-FC02-09ER41584 (Central Michigan Univ.), DE-FC02-09ER41582 (Iowa State Univ.), DE-FG02-87ER40371 (Iowa State Univ.), and DE-FC02-09ER41586 (Ohio State Univ.). This research used the computational resources of the Oak Ridge Leadership Computing Facility (OLCF) at ORNL and Argonne Leadership Computing Facility (ALCF) at ANL provided through the INCITE program. 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arxiv-papers
2013-04-12T19:32:07
2024-09-04T02:49:44.279147
{ "license": "Public Domain", "authors": "Scott Bogner, Aurel Bulgac, Joseph A. Carlson, Jonathan Engel, George\n Fann, Richard J. Furnstahl, Stefano Gandolfi, Gaute Hagen, Mihai Horoi,\n Calvin W. Johnson, Markus Kortelainen, Ewing Lusk, Pieter Maris, Hai Ah Nam,\n Petr Navratil, Witold Nazarewicz, Esmond G. Ng, Gustavo P.A. Nobre, Erich\n Ormand, Thomas Papenbrock, Junchen Pei, Steven C. Pieper, Sofia Quaglioni,\n Kenneth J. Roche, Jason Sarich, Nicolas Schunck, Masha Sosonkina, Jun\n Terasaki, Ian J. Thompson, James P. Vary, Stefan M. Wild", "submitter": "Stefan Wild", "url": "https://arxiv.org/abs/1304.3713" }
1304.3722
# Hierarchy of Frustrations as Supplementary Indices in Complex System Dynamics, Applied to the U.S. Intermarket Krzysztof Sokalski [email protected] Institute of Computer Science, Czȩstochowa University of Technology, Al. Armii Krajowej 17, 42-200 Czȩstochowa, Poland ###### Abstract A definition of frustration is expressed by transitivity of binary entanglement relation in considered complex system. Extending this definition into n-ary relation a hierarchy of frustrations’ notions is derived. As a complex system the U.S. Intermarket is chosen where the correlation coefficient of Intermarket indices’ sectors play the role of entanglement’s measure. In each hierarchy level the frustration and the transitivity are interpreted as values of an order’s measure for corresponding subsystem. The derived theory is applied to 1983-2012 data of the U.S. Intermarket. ###### pacs: 89.65.Gh, 89.75.-k, 71.45.Gm ## Introduction Frustration represents situation where several optimization conditions compete with each other so that a system can not satisfy them simultaneously. Frustrated systems are characterized by the presence of metastable states among which the system ”hesitates” to choose. These metastable states often change their order of stability as a function of external parameters to exhibit phase transitions from one state to another (bib:KAWAMURA, ). In the 21st century, the research of frustrations has received a revived interest and new areas. Frustrations appear in different systems and different scales. In some systems such as modern magnetic materials and superconductors the frustrations are sources of their expected properties (bib:Cond.Matt, ) The frustrations are observed also in nature phenomena on the level of molecular scales (bib:bryng, ). The most recent discovers of frustrations have been done in Markets. In these systems the frustrations play crucial role in creation of realistic market’s models (bib:ahlg, ). In this paper we introduce our own interpretation of the frustration in a plaquette consisting of complex system’s components. Definition of frustration is expressed by transitivity of the correlation relation in considered system. Extending this definition into transitivity of the $m-$ary relation (bib:pickett, ),(bib:usan, ),(bib:cristea, ) we create a hierarchy of frustrations describing the whole complex system consisting of the $m$ components and its subsystems consisting of $m-1,m-2,\dots 3,2$ components, respectively. Notion of the transitivity and frustration are opposite magnitudes of an attribute characterizing $n$ bodies correlation in considered subsystems of the hierarchy, where $n=m,m-1,m-2,\dots,3,2$. In order to perform investigations of this hierarchy with respect to the transitivity and frustration we need an appropriate complex system and empiric data for its members. The paper is organized in the following way. Section I approaches both system and data. In Section II using the notion of the transitivity we define frustration on different levels of hierarchy using notion of the transitivity. So far the transitive and frustrated subsystems are labelled by the two numbers +1 and -1, respectively. In order to make them more realistic we introduce in Section III extended measures of transitivity varying in the continuous domain $[-1,+1]$. Section IV presents interpretation of transitivity as ordering relation. finally, in Section V using results of Sections II and III we analyse the 1983-2012 data of the U.S. Intermarket with respect to transitivity and frustration. ## I 1983-2012 Empiric Data of the Considered U.S. Intermarket An appropriate complex system should satisfy the following conditions: 1) The system and its subsystems produce data according to probability-based regime, 2) Produced data should be homogenous, reliable and complete, 3) The data produced by different subsystems should be time synchronous. We would also like to have data which are easy to get and cheap. Following Murphy (bib:murp, ) we complete his U. S. Intermarket with Gold. In this way we choose system which satisfies our requirements. All considerations being done here base on the data supplied by (bib:NICK, ). On basis of the 1987 Crash’s data of the U. S. markets, Murphy derived the concept of the Intermarket Technical Analysis involving four sectors. Before the Murphy invention many people applied very simple technical analysis, such as program trading and portfolio insurance. Such simple analysis could not predict the forthcoming stock collapse. The events of 1987 provide a textbook example of how the intermarket scenario works and make a compelling argument as to why stock market participants need to monitor the other three market sectors-the dollar, bonds, commodities and others. The fact that the equity collapse was global in scope, and not limited to the U.S. markets, many would seem to argue against such a narrow view and finally supplied enough arguments for the global analysis of the considered markets. Therefore, Murphy has focused on the commodity, bond, stock and currency markets, globally. Among the many conclusions, He presents many arguments that the U.S. dollar contributed to the weakness in equities. Moreover, he concludes that among the four considered sectors the role of the U.S. dollar is probably the least precise and the one most difficult to pin down (bib:murp, ). However, all Murphy’s considerations are done on the basis of binary relations resulting from the binary correlations. In this paper we are going to extend his Intermarket Technical Analysis onto a hierarchy of relations including two, three, four,…..$m$ -ary relations, where $m$ is number of sectors constituting the considered complex system. In order to approach this idea we apply concept of frustrations to the U.S. Intermarket which is constituted by the following sectors: Stock, Bond, Commodity, Currency and Gold. Therefore, for the further considerations we select the following list of indexes: S$\&$P500 - SPX, Treasury Bonds Prices - USB, Commodity Research Bureau Futures Price Index - CRB, U. S. Dollar Index - USD and Gold Index - XAU. A distribution of entanglement signs between spins play the crucial role in typical models of spin glass. In the case of Intermarket the entanglement between sectors is described by the linear correlation coefficient. Therefore, the frustration in this system is determined by the distribution of correlation coefficient’s signs Illustrations of the all concepts derived here are presented on the example data 1987/07/01-1987/12/31. Whereas, in order to investigate dynamics of the considered hierarchy of frustrations we analyse 1983 - 2012 statistical data (bib:NICK, ). For a test we applied some data from (bib:MURsite, ). The correlation coefficients are calculated for each half of the year. The example correlation coefficients are presented in TABLE 1. Table 1: Correlation coefficients of the sectors’ indexes for the periods 1987/01/02-1987/06/30 and 1987/07/01-1987/12/31, above and below diagonal, respectively. | CRB | USB | SPX | USD | XAU ---|---|---|---|---|--- CRB | 1 | -0,115 | -0,003 | -0,380 | 0,401 USB | -0,144 | 1 | 0,544 | -0,271 | -0,666 SPX | 0,376 | 0,617 | 1 | -0,124 | -0,182 USD | 0,129 | -0,085 | 0,456 | 1 | -0,195 XAU | 0,750 | -0,081 | 0,235 | -0,351 | 1 ## II Frustrations in correlated subsystems Let us consider the following Intermarket’s sectors represented by their indexes: $S=\\{SPX,USB,CRB,USD,XAU\\}$ (1) and define the following binary relation: ${\bf{{\hat{R}}_{2}}}\subset S\times S\times\\{-,+\\},$ (2) where $\\{-,+\\}$ is set of two labels corresponding to signs of correlation coefficients of the pairs belonging to $S\times S$. Let us determine relation ${\bf{\hat{R}_{2}}}$ on $S^{2}\times\\{-,+\\}$. For the binary relation we use the following notation: $(X,Y,\pm)\in{\bf{\hat{R}_{2}}}\equiv X{\bf{\hat{R}_{2}}}Y=\pm.$ (3) Let $\pm$ are determined by the signs of Pearson’s correlation coefficients $X{\bf\hat{R}_{2}}Y=sign(\rho(X,Y)),$ (4) where $X,Y\in S$ and $\rho(X,Y)=Cov_{XY}/\sqrt{Var_{X}Var_{Y}}.$ (5) Therefore the considered relation becomes to the following function (for the period 1987/07/01-1987/12/31): $\displaystyle CRB{{\bf{\hat{R}_{2}}}}SPX=-,\hskip 5.69054ptCRB{{\bf{\hat{R}_{2}}}}XAU=+,$ $\displaystyle SPX{{\bf{\hat{R}_{2}}}}USB=-,\hskip 5.69054ptCRB{{\bf{\hat{R}_{2}}}}USD=-,$ $\displaystyle CRB{{\bf{\hat{R}_{2}}}}USB=-,\hskip 5.69054ptUSD{{\bf{\hat{R}_{2}}}}USB=+,$ The remaining mappings of this function are presented in Fig. 1 (for the period 1987/07/01-1987/12/31). ${CRB}$$USB$${-}$${SPX}$$USD$${+}$${CRB}$$USD$${+}$${CRB}$$SPX$${+}$${SPX}$$XAU$${+}$${CRB}$$XAU$${+}$${XAU}$$USB$${-}$${USB}$$SPX$${+}$${USB}$$USD$${-}$${USD}$$XAU$${-}$ Figure 1: Graphic representation of the relation ${\bf{\hat{R}_{2}}}$ fort the period 1987/07/01-1987/12/31 reduced to (4) The values of the correlation coefficients concerning the selected sectors are presented in TABLE 1. Let us investigate the transitivity of ${\bf{\hat{R}_{2}}}$. Therefore we have to determine superposition of the two relations like the following example: $CRB{\bf{\hat{R}_{2}}}SPX{\bf{\hat{R}_{2}}}USB$. Let $X,Y,Z$ are different members of $S$. According to least squares estimates (bib:Brandt, ) we can write down the following linear approximations: $\displaystyle Y=a_{XY}\cdot X+b_{XY},$ (7) $\displaystyle Z=a_{YZ}\cdot Y+b_{YZ}.$ (8) Let us create a superposition of (7) and (8): $Z=a_{XZ}\cdot X+b_{XZ},$ (9) where $\displaystyle a_{XZ}=a_{XY}\cdot a_{YZ},$ (10) $\displaystyle b_{XZ}=b_{XY}\cdot a_{YZ}+b_{YZ}.$ (11) According to the least squares estimates $sign(a_{XY})=sign(\rho(X,Y))=\Phi_{R_{2}}(X,Y)$, therefore (4) takes the following form: $X{\bf\hat{R}_{2}}Y=\Phi_{R_{2}}(X,Y).$ (12) Combining (4)-(12) we derive the following superposition’s rule for ${\bf{\hat{R}_{2}}}$: $X{\bf{\hat{R}_{2}}}Y{\bf{\hat{R}_{2}}}Z=\Phi_{R_{2}}(X,Y)\,\Phi_{R_{2}}(Y,Z).$ (13) Therefore we formulate and prove the following theorem: Theorem 1 Let $\forall X,Y,Z\in S_{T}\subset S$ $\displaystyle X{\bf\hat{R}_{2}}Y=\Phi_{R_{2}}(X,Y)\land Y{\bf\hat{R}_{2}}Z=\Phi_{R_{2}}(Y,Z)\land$ $\displaystyle X{\bf\hat{R}_{2}}Z=\Phi_{R_{2}}(X,Z),$ (14) then $\bf{\hat{R}_{2}}$ is transitive in $S_{T}$ if $\Phi_{R_{2}}(X,Y)\,\Phi_{R_{2}}(Y,Z)\,\Phi_{R_{2}}(X,Z)=+.$ (15) Proof By the definition ${\bf{\hat{R}_{2}}}$ is transitive if $X{\bf\hat{R}_{2}}Y=\Phi_{R_{2}}(X,Y)\land Y{\bf\hat{R}_{2}}Z=\Phi_{R_{2}}(Y,Z)\Rightarrow X{\bf\hat{R}_{2}}Z=\Phi_{R_{2}}(X,Z)$. On the basis of this definition and (13) as well as (14) we derive that ${\bf{\hat{R}_{2}}}$ is transitive if: $\Phi_{R_{2}}(X,Y)\,\Phi_{R_{2}}(Y,Z)=\Phi_{R_{2}}(X,Z).$ (16) Multiplying (16) by $\Phi_{R_{2}}(X,Z)$ we derive (15). $\blacksquare$ Taking into account above theorem we obtain: $\displaystyle CRB{\bf{\hat{R}_{2}}}USD{\bf{\hat{R}_{2}}}USB=CRB{\bf{\hat{R}_{2}}}USB,$ $\displaystyle CRB{\bf{\hat{R}_{2}}}USB{\bf{\hat{R}_{2}}}XAU=CRB{\bf{\hat{R}_{2}}}XAU,$ (17) $\displaystyle USD{\bf{\hat{R}_{2}}}SPX{\bf{\hat{R}_{2}}}XAU=USD{\bf{\hat{R}_{2}}}XAU.$ $\displaystyle\cdots\hskip 42.67912pt\cdots\hskip 42.67912pt\cdots\hskip 42.67912pt\cdots$ $\displaystyle CRB{\bf{\hat{R}_{2}}}SPX{\bf{\hat{R}_{2}}}USB\neq CRB{\bf{\hat{R}_{2}}}USB,$ $\displaystyle CRB{\bf{\hat{R}_{2}}}USD{\bf{\hat{R}_{2}}}XAU\neq CRB{\bf{\hat{R}_{2}}}XAU,$ (18) $\displaystyle USB{\bf{\hat{R}_{2}}}USD{\bf{\hat{R}_{2}}}XAU\neq USB{\bf{\hat{R}_{2}}}XAU,$ $\displaystyle\cdots\hskip 42.67912pt\cdots\hskip 42.67912pt\cdots\hskip 42.67912pt\cdots$ The remaining tests of transitivity are presented in Fig. 2 and Fig. 3. Let us call the following subset $\\{X\neq Y\neq Z\neq X\\}\subset S$ a plaquette, let $V$ be set of the all plaquettes created in $S$. We can see that the transitivity decomposes $V$ into two components: $V={V_{T}\cup V_{F}}$, where $\forall\\{X,Y,Z\\}\in V_{T}$ the relation ${\bf{\hat{R}_{2}}}$ is transitive and it is not transitive $\forall\\{X,Y,Z\\}\in V_{F}$, (N, F - mean no frustration and frustration, respectively). ${CRB}$${USD}$$USB$${-}$${-}$${+}$${CRB}$${XAU}$$USB$${-}$${-}$${+}$${SPX}$${XAU}$$CRB$${+}$${+}$${+}$${USD}$${XAU}$$SPX$${+}$${+}$${+}$${CRB}$${USD}$$SPX$${+}$${+}$${+}$ Figure 2: The subspace $V_{T}$ for the period.1987/07/01-1987/12/31 ${CRB}$${SPX}$$USB$${-}$${+}$${+}$${SPX}$${XAU}$$USB$${+}$${-}$${+}$${CRB}$${XAU}$$USD$${-}$${+}$${+}$${USB}$${USD}$$SPX$${+}$${+}$${-}$${USB}$${USD}$$XAU$${-}$${+}$${+}$ Figure 3: The subspace $V_{F}$ for the period 1987/07/01-1987/12/31. (The signs of the correlations are supplied for convenience in testing of ${\bf{\hat{R}_{2}}}$ with respect to the transitivity) Definition Lacking of ${\bf{\hat{R}_{2}}}$’s transitivity in $\\{X,Y,Z\\}\in V_{F}$ we call frustration of $\\{X,Y,Z\\}$ with respect to ${\bf{\hat{R}_{2}}}$. ### II.1 Hierarchy of frustrations in correlated subsystems Let us consider the following Intermarket’s sectors represented by their indexes: $S=\\{SPX,USB,CRB,USD,XAU\\}$ and define the following hierarchy of relations: ${\bf{\hat{R}_{2}}}\subset S\times S\times\\{-,+\\},$ (19) where $\\{-,+\\}$ is set of two labels corresponding to signs of correlation coefficients of the pairs belonging to $S\times S$. ${\bf{\hat{R}_{3}}}\subset S\times S\times S\times\\{F_{R_{2}},T_{R_{2}}\\},$ (20) where $\\{F_{R_{2}},T_{R_{2}}\\}$ is set of two labels: $F_{R_{2}}$ \- frustration, $T_{R_{2}}$ \- no frustration with respect to transitivity of ${\bf{\hat{R}_{2}}}$. ${\bf{\hat{R}_{4}}}\subset S\times S\times S\times S\times\\{F_{R_{3}},T_{R_{3}}\\},$ (21) where $\\{F_{R_{3}},T_{R_{3}}\\}$ is set of two labels: $F_{R_{3}}$ \- frustration, $T_{R_{3}}$ \- no frustration with respect to transitivity of ${\bf{\hat{R}_{3}}}$. ${\bf{\hat{R}_{5}}}\subset S\times S\times S\times S\times S\times\\{F_{R_{4}},T_{R_{4}}\\},$ (22) where $\\{F_{R_{4}},T_{R_{4}}\\}$ is set of two labels: $F_{R_{4}}$ \- frustration, $T_{R_{4}}$ \- no frustration with respect to transitivity of ${\bf{\hat{R}_{4}}}$. #### II.1.1 The ternary relation Now we are ready to define ${\bf{\hat{R}_{3}}}$. Definition Let us create all possible points $(X,Y,Z)\in S^{3}$, where $X,Y,Z\in S$ and $X\neq Y,Y\neq Z,Z\neq X$ and define ${\bf{\hat{R}_{3}}}$ in the following way: if frustration with respect to transitivity in $\bf{\hat{R}_{2}}$ occurs in ${X,Y,Z}$ then the point $(X,Y,Z)$ is mapped to $F_{R_{2}}$ and $(X,Y,Z,F_{R_{2}})\in{\bf{\hat{R}_{3F}}}$ else $(X,Y,Z)$ is mapped to $T_{R_{2}}$ and $(X,Y,Z,T_{R_{2}})\in{\bf{\hat{R}_{3T}}}$. Finally ${\bf{\hat{R}_{3}}}={\bf{\hat{R}_{3F}}}\cup{\bf{\hat{R}_{3T}}}$. The subsets corresponding to ${T_{R_{2}}}$ and ${F_{R_{2}}}$: $\displaystyle{\bf{\hat{R}_{3T}}}\subset S\times S\times S\times\\{T_{R_{2}}\\},$ (23) $\displaystyle{\bf{\hat{R}_{3F}}}\subset S\times S\times S\times\\{F_{R_{2}}\\},$ (24) are presented in Fig. 4 and Fig. 5, respectively. It occurs the following relation between ${\bf{\hat{R}_{3}}}$ and ${\bf{\hat{R}_{2}}}$: $XYZ{\bf{\hat{R}_{3}}}=X{\bf{\hat{R}_{2}}}Y\land Y{\bf{\hat{R}_{2}}}Z\land Z{\bf{\hat{R}_{2}}}X.$ (25) Therefore, similarly to (12) and according to (25) we determine the values of ${\bf{\hat{R}_{3}}}$ in the following way: $\displaystyle{\it\Phi_{R_{3}}(X,Y,Z)}=\Phi_{R_{2}}(X,Y)\,\Phi_{R_{2}}({Y,Z})\,\Phi_{R_{2}}({X,Z}),$ $\displaystyle{\it\Phi_{R_{3}}(T,X,Z)}=\Phi_{R_{2}}({T,X})\,\Phi_{R_{2}}({X,Z})\,\Phi_{R_{2}}({T,Z}),$ (26) $\displaystyle{\it\Phi_{R_{3}}(T,X,Y)}=\Phi_{R_{2}}({T,X})\,\Phi_{R_{2}}(X,Y)\,\Phi_{R_{2}}({T,Y}),$ $\displaystyle{\it\Phi_{R_{3}}(T,Y,Z)}=\Phi_{R_{2}}({T,Y})\,\Phi_{R_{2}}({Y,Z})\,\Phi_{R_{2}}({T,Z}).$ ${CRB}$${SPX}$$USB$+${SPX}$${XAU}$$USD$+${CRB}$${XAU}$$USD$+${CRB}$${XAU}$$SPX$+${CRB}$${USD}$$SPX$+${USB}$${XAU}$$USD$+ Figure 4: Subrelation $XYZ{\bf{\hat{R}_{3T}}}={\textbf{+}}$ ${CRB}$${USD}$$USB$-${SPX}$${XAU}$$USB$-${CRB}$${XAU}$$USB$-${USB}$${USD}$$SPX$- Figure 5: Subrelation $XYZ{\bf{\hat{R}_{3F}}}={\textbf{-}}$ In order to extent notion of frustration into ${\bf{\hat{R}_{3}}}$ we have to define the transitivity with respect to this relation. Definition Let $\\{(X,Y,Z),(T,X,Z),(T,X,Y),(T,Y,Z)\\}\subset S^{3}.$ (27) If $\displaystyle XYZ{\bf{\hat{R}_{3}}}=\Phi_{R_{3}}(X,Y,Z)\land$ $\displaystyle XTZ{\bf{\hat{R}_{3}}}=\Phi_{R_{3}}(X,T,Z)\land$ (28) $\displaystyle XTY{\bf{\hat{R}_{3}}}=\Phi_{R_{3}}(X,T,Y)\Rightarrow$ $\displaystyle TYZ{\bf{\hat{R}_{3}}}=\Phi_{R_{3}}(T,Y,Z),$ then $\bf{\hat{R}_{3}}$ is transitive in (27). Theorem 2 Let $\bf{\hat{R}_{3}}$ be transitive in $\\{(X,Y,Z),(T,X,Z),(T,X,Y),(T,Y,Z)\\}$: $\displaystyle XYZ{\bf\hat{R}_{3}}=\Phi_{R_{3}}(X,Y,Z)\land$ $\displaystyle TXZ{\bf\hat{R}_{3}}=\Phi_{R_{3}}(T,X,Z)\land$ $\displaystyle TXY{\bf\hat{R}_{3}}=\Phi_{R_{3}}(X,T,Y)\land$ $\displaystyle TYZ{\bf\hat{R}_{3}}=\Phi_{R_{3}}(T,Y,Z),$ (29) then $\displaystyle\Phi_{R_{3}}(X,Y,Z)\,\Phi_{R_{3}}(X,T,Z)$ $\displaystyle\Phi_{R_{3}}(X,T,Y)\,\Phi_{R_{3}}(T,Y,Z)=+.$ (30) Proof By the definition ${\bf{\hat{R}_{3}}}$ is transitive if $XYZ{\bf\hat{R}_{3}}=\Phi_{R_{3}}(X,Y,Z)\land TYZ{\bf\hat{R}_{3}}=\Phi_{R_{3}}(T,Y,Z)\land TXZ{\bf\hat{R}_{3}}=\Phi_{R_{3}}(T,X,Z)\Rightarrow TXY{\bf\hat{R}_{3}}=\Phi_{R_{3}}(T,X,Y)$. Taking into account (27) and $\Phi_{R_{2}}^{2}=+1$ as well as (26) we derive that ${\bf{\hat{R}_{3}}}$ is transitive if: $\displaystyle{\it\Phi_{R_{3}}(T,X,Z)}=$ (31) $\displaystyle{\it\Phi_{R_{3}}(T,X,Y)}\,{\it\Phi_{R_{3}}(X,Y,Z)}\,{\it\Phi_{R_{3}}(T,Y,Z)}.$ Multiplying (31) by ${\it\Phi_{R_{3}}(T,X,Z)}$ we get the thesis. $\blacksquare$ #### II.1.2 The 4-ary and 5-ary relations Extending results of II.1.1 into the 4-ary and 5-ary relations (21) and (22), respectively we define the transitivity and frustration for the 4 and 5 point complexes which are presented in Figure 6 and Figure 7, respectively. For the considered $S$ system there are five 4-ary relations and one 5-ary relation. Extending (26) on $\bf{\hat{R}_{4}}$ we derive the following relation: $\Phi_{R_{4}}(X_{1},X_{2},X_{3},X_{4})=\Phi_{R_{3}}(X_{1},X_{2},X_{3})\prod_{i=1}^{3}\Phi_{R_{2}}(X_{i},X_{4})$ (32) For presentation of transitivity and frustration in ${\bf{\hat{R_{4}}}}$ we calculate $\Phi_{R_{4}}$ for the both selected relations (Figure 6): $\Phi_{R_{4}}(CRB,SPX,USB,USD)=+1,\Phi_{R_{4}}(XAU,SPX,USB,USD)=-1$. Extending (32) on ${\bf{\hat{R}_{5}}}$ we derive the following value of the transitivity for the whole considered system: $\Phi_{R_{5}}(S)=+1$. Therefore, ${\bf\hat{R_{4}}}$ is not transitive in $S-CRB$, whereas it is transitive in $S-XAU$ as well. Since ${\bf{\hat{R}_{5}}}$ is transitive in $S$ whereas it is not transitive in $S-CRB$ we derive the following conclusion: in the period 1987/07/01-1987/12/31 $CRB$ has been played an ordering role in the considered Intermarket. Thus, e.g. relating the transitivity’s measures of $\Phi_{R_{4}}$ and $\Phi_{R_{5}}$ we investigate roles of the all Intermarket’s sectors during 1983-2012 (Section V). ${CRB}$${CRB}$$CRB$${SPX}$${USB}$${USD}$${+}$${+}$${-}$${-}$$\in V_{T}$${XAU}$${XAU}$$XAU$${SPX}$${USB}$${USD}$${+}$${-}$${-}$${+}$$\in V_{F}$ Figure 6: Subrelation ${\bf{\hat{R}_{4F}}}$. ${SPX}$${XAU}$$USD$$USB$$CRB$$CRB$ Figure 7: Subrelation ${\bf{\hat{R}_{5F}}}$. #### II.1.3 The n-ary relations Derivation of ${\bf\hat{R}_{3}},{\bf\hat{R}_{4}},{\bf\hat{R}_{5}},$ and their properties suggests the following algorithm for creation of the ${\bf\hat{R}_{n}}$ and investigation of the properties: 1\. Write down the relation between ${\bf\hat{R}_{n}}$ and ${\bf\hat{R}_{n-1}}$. Let $(X_{1},X_{2}\dots X_{n})\in S^{n}$, in the following form: $X_{1}X_{2}\dots X_{n}{\bf{\hat{R}_{n}}}=\bigwedge_{i=1}^{n}X_{1}X_{2}\dots X_{i-1}X_{i+1}\dots X_{n}{\bf\hat{R}_{n-1}},$ (33) where $X_{n+1}=X_{1}$ 2\. Express $\Phi_{n}(X_{1},X_{2},\dots X_{n})$ by $\Phi_{2}(X_{i},X_{j})$, where $i,j=1,2\dots n$: $\Phi_{n}(X_{1},X_{2},\dots X_{n})=\prod_{i<j\leq n}\Phi_{R_{2}}(X_{i},X_{j}).$ (34) 3\. Define transitivity of ${\bf{\hat{R}_{n}}}$. Let $(X_{0},X_{1},X_{2},\dots X_{i-1},X_{i+1},\dots X_{n})\in S^{n}$, where $i=1,2,3\dots n$ and $X_{n+1}=X_{0}$ If the following relation occurs: $\bigwedge_{i=1}^{n}\left(X_{0}X_{1}X_{2}\dots X_{i-1}X_{i+1}\dots X_{n}{\bf\hat{R}_{n}}=\Phi_{R_{n}}(X_{0},X_{1},X_{2},\dots X_{i-1},X_{i+1},\dots X_{n})\right)\\\ \rightarrow X_{1}X_{2}\dots X_{n}{\bf\hat{R}_{n}},$ (35) then ${\bf{\hat{R}_{n}}}$ is transitive, else the subsystem $(X_{0},X_{1},X_{2},\dots X_{n})\in S^{n+1}$ is frustrated with respect to ${\bf{\hat{R}_{n}}}$. 4\. Derive recurrent formula for $\Phi_{R_{n}}(X_{1},X_{2},\dots X_{n})$: $\Phi_{R_{n}}(X_{1},X_{2},\dots X_{n})=\Phi_{R_{n-1}}(X_{1},X_{2},\dots X_{n-1})\prod_{i=1}^{n-1}\Phi_{R_{2}}(X_{i},X_{n}).$ (36) 5\. Derive the superposition rules for $\Phi_{R_{n}}(X_{1},X_{2},\dots X_{n})$. Writing down the complete system of (36) and performing elimination of the all $\Phi_{R_{2}}(X_{i},X_{j})$ correlation coefficients we derive: $\prod_{i=1}^{n}\Phi_{R_{n}}(X_{0},X_{1},X_{2},\dots X_{i-1},X_{i+1},\dots X_{n})=\Phi_{R_{n}}(X_{1}X_{2}\dots X_{n}).$ (37) ## III Measures of transitivites For each relation belonging to the hierarchy $\\{{\bf{{\hat{R}}_{2}}},{\bf{\hat{R}_{3}}},{\bf{\hat{R}_{4}}},{\bf{\hat{R}_{5}}},\dots\\}$ the values of $\Phi_{R_{n}}=\pm 1$ correspond to transitivity or frustration, respectively. However, they do not describe ”how much” considered system is transitive or how much frustrated. In order to derive such a measure we come back to the definition of ${\bf{\hat{R}_{2}}}$. Let us note that $\rho(X,Y)=\Phi_{R_{2}}(X,Y)\cdot|(\rho(X,Y))|=\rho_{R_{2}}(X,Y)$, where the first factor informs whether $X$ and $Y$ are correlated or anticorrelated, whereas the second one describes ”how much”. Therefore, we renamed $\rho(X,Y)$ into $\rho_{R_{2}}(X,Y)$ as an accepted measure of ${\bf{\hat{R}_{2}}}$. Continuing this way and taking into account (26) we derive the measures of ${\bf{\hat{R}_{3}}},{\bf{\hat{R}_{4}}}$ and ${\bf{\hat{R}_{5}}}$: $\displaystyle\rho_{R_{3}}(X,Y,Z)=\Phi_{R_{3}}(X,Y,Z)\cdot|\rho(X,Y)|\cdot\ |\rho(Y,Z)|\cdot|\rho(X,Z)|=\rho(X,Y)\cdot\ \rho(Y,Z)\cdot\rho(X,Z).$ (38) Therefore, $\displaystyle\rho_{R_{4}}(T,X,Y,Z)=\rho(X,Y)\cdot\rho(Y,Z)\cdot\rho(X,Z)\cdot\rho(T,X)\cdot\rho(T,Y)\cdot\rho(T,Z),$ (39) $\displaystyle\rho_{R_{5}}(T,X,Y,V,Z)=\rho(X,Y)\rho(Y,Z)\rho(X,Z)\rho(T,X)\rho(T,Y)\rho(T,Z)\rho(X,V)\rho(Y,V)\rho(V,Z)\rho(T,V)$ (40) In general case $|S|=m$ similarly to (38)-(39) we derive simplified formula for transitivity measure of the $m$-s member of hierarchy: $\rho_{R_{m}}(X_{1},X_{2},\dots X_{m})=\prod_{i<j\leq m}\rho(X_{i},X_{j})$ (41) ## IV Transitivity as ordering relation’s property Proposition Let us consider two examples of plaquettes, one by one from $V_{T}$ and $V_{F}$, respectively (Fig. 8). ${CRB}$${SPX}$$USB$${-}$${+}$${-}$$\in V_{T}$${CRB}$${USD}$$USB$${-}$${-}$${-}$$\in V_{F}$ Figure 8: The three points complexes: transitive and frustrated. The $\pm$ signs correspond to the signs of the correlation coefficients. We argue for the following hypothesis: Transitivity of ${\bf{\hat{R}_{2}}}$ is responsible for stimulating of sectors to common direction evolution. However, some sectors interferes with this process leading to the frustration and in this way they preserve the sectors’ independence.There are two arguments for such interpretation of the frustration (or its contradiction - transitivity). The first one is direct. Let us take into account the case $V_{T}$ of Fig. 8. Let us estimate influence of $CRB$ on $USB$. There are two ways of entanglement: $CRB\rightarrow USB$ and $CRB\rightarrow SPX\rightarrow USB$. Both of them push $USB$ into opposite direction with respect to the evolution’s direction of $CRB$. It is important that both ways push $USB$ into the same direction (by the direction of X’s evolution we mean its increase or decrease). Therefore, the resulting effect from the both ways is at least stronger then the strongest single entanglement in this plaquette. This result is invariant with respect to a choice of starting point in the considered plaquette. Now, let us take into account the case $V_{F}$ of Fig. 8, and estimate influence of $CRB$ on $USD$. There are two ways of entanglement acting on $USD$: $CRB\rightarrow USD$ and $CRB\rightarrow USB\rightarrow USD$. However, now they work in opposite directions. Therefore, the resulting effect is at least weaker then the strongest single entanglement in this plaquette. Also this result is invariant with respect to a choice of the starting point. Summarizing, we have shown argument that in a plaquette of the three different sectors without (with) frustration the influences of sectors between each other become stronger (weaker). Summarizing, we distinguish an ordering entanglement in $V_{T}$, whereas in $V_{F}$ such an ordering does not exists. The second argument is formal and touches the basis of the mathematics. Let ${\bf{\hat{R}_{2T}}},{\bf{\hat{R}_{2F}}}$ be ${\bf{\hat{R}_{2}}}$ constrained to $V_{T},V_{F}$, respectively. Due to symmetry, reflexibility and transitivity of ${\bf{\hat{R}_{2T}}}$ this subrelation is an equivalence relation. Since for the considered Intermarket the sum of the all plaquettes belonging to $V_{T}$ is equal to $S$: $\bigcup_{\\{X,Y,Z\\}\in V_{T}}\\{X,Y,Z\\}=S,$ (42) the structure $(S,{\bf{\hat{R}_{2T}}})$ is a preorder (bib:foldes, ). Therefore, the transitivity is an inductor of at least a weak kind of order in the system. ## V Frustrations Hierarchy Analysis of the U.S. Intermarket’s Applying (41 ) to the Intermarket’s data we have calculated the total Intermarket’s transitivity measure $\rho_{\bf R_{5}}$ (see Fig.9, Fig.10) and the five measures $\rho_{\bf R_{4}}$ corresponding to Subintermarkets obtained by reduction of the considered Intermarket with respect to each its element $S$\$\\{XYZ\\}$ (see Fig.11\- Fig.15). ### V.1 Discussion of results for $\rho_{\bf R_{5}}$ measure The values of $\rho_{\bf R_{5}}$ are presented in the two scales. The scales of Fig.9 and Fig.10 are appropriate for analysis of positive and negative $\rho_{\bf R_{5}}$, respectively. Combining both figures we see that $\rho_{\bf R_{5}}$ undergoes variations like the U.S. Business Cycles which can be described by the Brownian Motion of a Harmonic Oscillator (bib:chen, )-(bib:Zarn, ). The oscillation’s amplitude for the positive direction of $\rho_{\bf R_{5}}$ is two orders greater in average then the negative one. The envelopes of positive and negative values changes according to trends presented by dashed lines. Let us remind that $\rho_{\bf R_{5}}>0$ corresponds to transitivity, whereas $\rho_{\bf R_{5}}<0$ corresponds to frustration. From 1983 $(Y=83)$ until 2009 $(Y=109)$ the positive amplitude increases and the negative one decreases becoming positive. It means that the transitivity approaches a high value and the frustration disappears. Then from the second half of 2009 $\rho_{\bf R_{5}}$ exhibits strong fluctuations. One can see from Fig.10 that the considered system has lost stability when the trend of frustrations got value equal to zero. On the basis of these observations we may draw the conclusion that frustration is necessary for the system’s stability. Due to the strong oscillations which have appeared after the revealed boom there is a chance to get negative values for the frustration’s trend and to recover the system’s stability. Figure 9: The transitivity’s measure ${\bf\rho_{R_{5}}}$ of $S$ v.s. $Y$ for the period 1983-2012. The vertical scale enables to read the positive values of ${\bf\rho_{R_{5}}}$, ($Y=Year-1900$). Figure 10: The transitivity’s measure ${\bf\rho_{R_{5}}}$ of $S$ v.s. $Y$ for the period 1983-2012. The vertical scale enables to read the negative values of ${\bf\rho_{R_{5}}}$ and their oscilations around $Y$ axis ($Y=Year-1900$). The nearest future will show how the frustration analysis applied to an Intermarket is efficient for the predictions of the economic stability in long time horizon. Now (January 2013) $\rho_{R_{5}}$ performs large amplitude oscillations into both directions ($\rho_{R_{5}}>0$ and $\rho_{R_{5}}<0$). The most probable event is that the envelope of frustrations $\rho_{R_{5}}<0$ will approach zero by forthcoming decades and different events of U.S. Economy will generate picks of transitivity. Unlikely but a worse one would be a situation when $\rho_{R_{5}}$ will oscillate above $Y$ axis approaching zero value asymptotically for long time. ### V.2 Discussion of results for $\rho_{\bf R_{4}}$ measures $\rho_{\bf R_{5}}$ is the highest measure of transitivity in the five elements system. This is a top of the considered hierarchy $\rho_{\bf R_{5}},\rho_{\bf R_{4}},\rho_{\bf R_{3}},\rho_{\bf R_{2}}$. There are five measures of the $\rho_{\bf R_{4}}$ describing transitivity in a subset of four Intermarket’s entities. Let us assume that by removing selected entity from the frustration analysis we receive an approximation knowledge about the influence of this Intermarket’s member on the dynamics of the whole system. All the five $\rho_{\bf R_{4}}$ measures are presented in Fig.11-Fig.15. Comparing $\rho_{\bf R_{4}}$ of the selected Subintermarket with $\rho_{\bf R_{5}}$ we will try to answer the question what could be the influence of the removed entity on the Intermarket’s stability. Figure 11: The measure ${\bf\rho_{R_{4}}}$ of $S$\$\\{XAU\\}$ v.s. $Y$ for the period 1983-2012, dots correspond to scaled $\rho_{\bf R_{5}}$, and $Y=Year-1900$. Figure 12: The measure ${\bf\rho_{R_{4}}}$ of $S$\$\\{USB\\}$ v.s. $Y$ for the period 1983-2012, dots correspond to scaled $\rho_{\bf R_{5}}$, and $Y=Year-1900$. Figure 13: The measure ${\bf\rho_{R_{4}}}$ of $S$\$\\{USD\\}$ v.s. $Y$ for the period 1983-2012, dots correspond to scaled $\rho_{\bf R_{5}}$, and $Y=Year-1900$. Figure 14: The measure ${\bf\rho_{R_{4}}}$ of $S$\$\\{CRB\\}$ v.s. $Y$ for the period 1983-2012, dots correspond to scaled $\rho_{\bf R_{5}}$, and $Y=Year-1900$. Figure 15: The measure ${\bf\rho_{R_{4}}}$ of $S$\$\\{SPX\\}$ v.s. $Y$ for the period 1983-2012, dots correspond to scaled $\rho_{\bf R_{5}}$,($Y=Year-1900$). There are seven possible reactions of picks for removing a sector from the Intermarket. All of them are listed in TABELE 2 and their interpretations are indicated. According to this Tabele we present the following discussion. * • $S$\$\\{XAU\\}$. In the period 1983-2008 Gold has played crucial role in Intermarket’s stability. By removing Gold from the Intermarket the high picks of transitivity have change into deep frustrations. Therefore the Gold was responsible for blocking of the frustrations. However, in the period 2009-2012 this Sector has loss this influence. * • $S$\$\\{USB\\}$. In the period 1983-1994 Treasury Bonds Prices’ influence was marginal. Whereas, in the period 1995-2012 $USB$ has changed transitivities into frustrations. Therefore, probably this sector among others was responsible for the frustrations’ decay. * • $S$\$\\{USD\\}$. The analysis of ${\bf\rho_{R_{4}}}$ shows that $USD$ is the most complicated Intermarket’s sector. The pick of ${\bf\rho_{R_{4}}}$ corresponding to 1985-1986 period has been changed from frustration to transitivity. Therefore the U. S. Dollar was a creator of frustrations in this period. The pick corresponding to 1989 was invariant with respect to removing of USD from the Intermarket. Therefore for this period USD was marginal. The two next picks of ${\bf\rho_{R_{4}}}$ have appeared at 1995 and 2009. Both of them were also invariant, however the pick from 1995 had got two sattelite picks at 1994 and 1996.5. (July of 1996). The pick at 2009 has changed from frustration into transversity whereas the last one at 2012 reminded to be invariant. Summarizing, the invariant picks are not correlated with USD, however those which have been changed from frustration into transfersity corresponded to frustrations’ creator of ${\bf\rho_{R_{5}}}$. * • $S$\$\\{CRB\\}$. Influence of Commodity on the Intermarket was a little different from the influence of another sectors. In 1985-1986 the pick of ${\bf\rho_{R_{4}}}$ was invariant. The pick at 1989 has changed the sign and became a measure of frustration. Therefore, in this year Commodity has protected Intermarket against frustration. A new pick of transitivity has appeared at 1991.5. In the period 1993.5- 1995.5 a new quality has occur. By comparing Fig. 14 and Fig. fig:rhoR5g a large increase of the pick at 1995 and its little satellite at 1996.5 into gigantic measure’s values of transitivity and frustration have been observed. This can be interpreted as an active role of Commodity in creation of the frustrations in the considered period. Next, in 2004-2005 the pair of transitivities’ picks has been collapsed into fuzzy frustrations.Therefore, the Commodity has stopped the creation of frustrations . Finally, the events of the period 2008-2011 have shown transition of the gigantic transitivities’ into picks of transitivity and frustration. Therefore, from 1993.5 the Commodity has played very important role in the Intermarket’s stabilization. * • $S$\$\\{SPX\\}$. Two picks of transitivity at 1985 and 1989 have been conserved, whereas the pick of 1995 and its little satellite at 1996 have changed for frustration, moreover, the intensity of the satellite increased. Since 1997 it has started the oscillation of $\rho_{R_{4}}$ around zero characterized by increasing amplitude which was suddenly broken at 2001.5. There were not any oscillations of the measure ${\bf\rho_{R_{5}}}$ corresponding to that ones. In the four previous cases the events after 2008 were most interesting. In the case of $S$\$\\{SPX\\}$ the gigantic picks of transversity and frustration has been reversed in time (frustration and transversity). The five last points in Fig.15 suggest that the black scenario for developing of ${\bf\rho_{R_{5}}}$ without frustrations would be possible (black scenario). Note that in the period $1983-2008$ Stock and Intermarket were strongly anticorrelated, whereas in $2009$ this relation become to be a strong correlation. Additionaly, this event checks the stabilizing role of frustrations. ### V.3 The finale remark The considered Intermarket is a subsystem immersed in the U.S. National Economy. Therefore, the picks and trends of the transitivity as well as the frustration measures are related to events of this global system. Analysis of the results presented here will be related to U.S. Events (bib:USE, ) and published in forthcoming monograph (bib:SokMor, ). Table 2: Possible reactions of $\rho_{R_{5}}\rightarrow\rho_{R_{4}}$ for removing a sector from the Intermarket Reaction | Invariant | $F\rightarrow T$ | $T\rightarrow F$ | $F\rightarrow 0$ | $T\rightarrow 0$ | $0\rightarrow F$ | $0\rightarrow T$ ---|---|---|---|---|---|---|--- Interpretation for sector’s | No active | Frustration’s | Transisivity’s | Frustartion’s | Transitivity’s | Frustration’s | Transitivity’s activity | | generator | generator | generator | generator | annihilator | annihilator ## References * (1) Novel States of Matter Induced by Frustration, Editor: Hikaru Kawamura, J. Phys. Soc. Jpn. (Special Topics), Vol. 79 (2010). * (2) Proceedings of the International Conference on Highly Frustrated Magnetism, Osaka, Japan,15-19 August 2006, Eds. Hiroi Z. & Tsunetsugu H., Journal of Physics: Cond. Matt.,Vol. 19. No. 14 (2007). * (3) Bryngleson JD, Wolynes PG, Proc Nat Acad Sci USA Vol. 84 (1987):7524-7528. * (4) Ahlgren PTH, Jensen MH, Simonsen I, Donangelo R, Sneppen K, Frustration driven stock market dynamics: Leverage effect and assymetry, (2007) Physica A, Vol. 383 :1-4. * (5) Pickett H.E.,A Note on Generalized Equivalence Relation, Amer. Math. Manthly, Vol. 73, No. 8, (1966) 860-861. * (6) Us̆an J., S̆es̆elja, Transitive n-Ary Relations and Characterizations of Generalized Equivalences, Rev. of Res. Faculty of Science-Univ. of Novi Sad, Vol. 11 (1981) 231-245. * (7) Cristea I., Several Aspects on the Hypergroups Associated with n-Ary Relations, An. St. Univ. Ovidius Constanta, Vol. 17(3)(2009) 99-110. * (8) The Statistical Data purchased from SHARELYNX GOLD, [email protected], January 2010. and January 2012. * (9) Murphy J. J., Intermarket Technical Analysis: Trading Strategies For The Global Stock, Bond, Commodity And Currency Markets, John Wiley $\&$ Sons, Inc. 1991 * (10) http://stockcharts.com/charts/performance/ perf.html?[IM]. * (11) Brandt S., Data Analysis. Statistical and Computational Methods for Scientists and Engineers, Springer Verlag, New York 1999, Ch. 9. * (12) Foldes S., Fundamental Structures of Algebra $\&$ Discrete Mathematics, John Wiley $\&$ Sons, Inc. 1994. * (13) Chen, P. ”Trends, Shocks, Persistent Cycles in Evolving Economy: Business Cycle Measurement in Time-Frequency Representation, in W. A. Barnett, A. P. Kirman, and M. Salmon Eds. Nonlinear Dynamics and Economics, Chapter 13, pp. 307-331, Cambridge University Press (1996a). * (14) Goodwin, R. M. ”The Nonlinear Accelerator and the Persistence of Business Cycles,” Econometrica, 19, 1-17 (1951). * (15) Hayek, F. A. Monetary Theory and the Trade Cycle, A.M. Kelley Publishers, New York (1933, 1966). * (16) Hodrick, R. J., and E. C. Prescott. ”Post-War US. Business Cycles: An Empirical Investigation, ” Discussion Paper No. 451, Carnegie-Mellon University (1981). * (17) Zarnowitz, V. Business Cycles, Theory, History, Indicators, and Forecasting, pp.196-198, University of Chicago Press, Chicago (1992). * (18) http://en.wikipedia.org/wiki/1983_in_the_ United_States#Events, and for all the next relevant years. * (19) Sokalski K, Moroz E., Frustration Analysis of the U.S. Intermarkets, (2014) in preparation.
arxiv-papers
2013-04-12T19:58:56
2024-09-04T02:49:44.294307
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Krzysztof Sokalski", "submitter": "Krzysztof Sokalski prof", "url": "https://arxiv.org/abs/1304.3722" }
1304.3888
# Minimal Ward-Takahashi Vertices and Pion Light Cone Distribution Amplitudes from Gauge Invariant, Nonlocal, Dynamical Quark Model Chuan Li2111Email:[email protected]., Shao-Zhou Jiang3222Email:[email protected]. and Qing Wang1,2333Email: [email protected] author 1Center for High Energy Physics, Tsinghua University, Beijing 100084, P.R.China 2Department of Physics, Tsinghua University, Beijing 100084, P.R.China555mailing address 3College of Physics Science and Technology, Guangxi University, Nanning, Guangxi 530004, P.R.China ###### Abstract The gauge-invariant, nonlocal, dynamical quark model is proved to generate the minimal vertices which satisfy the Ward-Takahashi identities. In the chiral limit, the momentum-dependent quark self-energy results in a flat-like form with some end point $\delta-$funtions for the light-cone pion distribution amplitudes, similarly found in the Nambu Jona-Lasino model with constant constituent mass. The leading order nonzero pion and current quark masses corrections lead concave type asymptotic-like form modifications to twist-2 pion distribution amplitude with end point pillars and twist-3 tensor pion distribution amplitude above the flat-like form backgrounds. A by-product of our investigation shows that the variable $u$ appearing in pion light-cone distribution amplitudes is just the standard Feynman parameter in the Feynman parameter integrals; also chiral perturbation works well for these amplitudes. ###### pacs: 11.10.Lm, 12.38.Aw, 12.39.-x, 13.40.Gp ††preprint: TUHEP-TH-13179 The gauge-invariant, nonlocal, dynamical quark (GND) model GND is one of a phenomenological non-local chiral quark model that can be derived from QCD first principles by a series approximation WQ2002 . It appears as an approximate description for the effective interactions among light quarks and pseudo-scalar mesons induced from the underlying QCD after integrating out gluon and heavy-quark fields. In the low-energy region, the validity of the GND model is tested by its resulting low-energy constants GND ; WQ2002 ; WQ2010 ; WQseries for the well-known Gasser-Leutwyler chiral Lagrangian GS , which well match the existing experimental data for pseudo-scalar meson physics. Considering that in obtaining the GND model the low-energy expansion is not taken, we expect this model has a larger range of application than the traditional low-energy region and are interested in its momentum-dependent behavior beyond the conventional low-energy expansion, which reflects the interplay between low and high energies. In fact, the typical feature of the GND model is its quark self-energy (or momentum-dependent quark mass) $\Sigma(-p^{2})$ which represents the original idea of dynamical perturbation theory proposed by Pagels and Stokar PS . All dynamics, especially the momentum-dependent effects of the model, are in the main effectively described by this quark self-energy. To investigate the momentum-dependent effects in terms of a nonlocal model in general, the first obvious problem one faces is its possible violation of the Ward-Takahashi identities (WTIs), as this happens for most nonlocal chiral quark models. In the literature, one way to solve the problem is to artificially revise the vertex Rvertex ; Rvertex1 ; another way is to modify the model itself. The GND model belongs to this second approach, where the model is constructed in such a way that it is invariant under local chiral symmetry transformations for external current sources of light-quark fields. Except for the GND model, an earlier GNC model GNC took the same tack but with a complex face factor introduced in the model. Because the local chiral symmetry is inserted into the model at inception, we expect the WTIs to hold as a result. This expected validity of the WTIs was claimed but not explicitly shown in the GNC model, and not even mentioned in the original GND model. It is the principle aim of this paper to explicitly show that the GND model does satisfy the WTIs at the chiral limit. A by-product of this demonstration is that we not only give vector and axial-vector vertices, but also scalar, pseudo-scalar, and tensor vertices. In fact, due to their non-perturbative natures, these fundamental vertices have not been very well reported in the literature. The latest ansatz available for the vector vertex in QED is given in Refs.VectorVertex which can be traced from the early Refs.Rvertex . For vector and axial-vector vertices, the WTIs only constrain their longitudinal parts and cannot fix the transverse parts. For the remaining scalar, pseudo- scalar and tensor vertices, we even have no corresponding WTIs. Considering the vertices we obtained are from the unique GND model action and are constrained by inherent local chiral symmetry of the model, all different types of resulting vertices are at the same level as the approximate description of the corresponding QCD ones. We will show that the vector and axial-vector vertices we obtained in the chiral limit are just the simplest versions satisfying the WTIs and have exactly the same form of those assumed by Ref.Holdom ; we call these two vertices and related scalar, pseudo-scalar, and tensor vertices the minimal Ward-Takahashi vertices. With proof of validity of the WTIs for the GND model and the resulting minimal vertices as our starting point to investigate the momentum-dependent effects, we take the light-cone pion distribution amplitudes (PDAs) as our next target of study in this paper. The reason these are chosen for discussion is that, at present, there is still no definite conclusion on whether PDA is in asymptotic-like form asymp , in Chernyak-Zhitnitsky (CZ)-like form CZ , or in a flat-like form flat . With progress from experiments, ever more information and constraints have emerged on the PDAs providing good crosschecks between theoretical estimations and experimental data WXG . Theoretically, the model computation of PDAs is mainly through chiral quark models. Earlier calculations based on the local chiral quark model or local Nambu Jona-Lasino (NJL)-like models (see Ref.flat and references therein) yielded the typical result that the lowest twist-2 PDA is in flat-like form in the chiral limit. In local chiral quark models, quarks have constant constituent masses and there is ultraviolet divergence in the resultant PDAs. To avoid the divergence, various regularization schemes are exploited which often yield confusing results. An improvement is to change to nonlocal chiral quark models (see Ref.nonlocalPDAs and references therein), where a momentum- dependent quark mass or quark self-energy is arranged in such a way that it provides the model with a natural soft ultra-violet cutoff and results in finite PDAs. Some researchers believe that the momentum dependence of the quark self-energy will lead to twist-2 PDA deviating from flat-like form and generate correct end-point behavior nonlocalPDAs1 . As we mentioned previously, a nonlocal chiral quark model usually violates the WTIs and the vertices are revised to avoid the defect. Now, our GND model automatically satisfies the WTIs, so there is no need to make such artificial modification of the vertices. Another technical problem met in nonlocal chiral quark model is that momentum integrations involving quark self-energies are usually difficult to complete, because usually these have on-shell external momenta which are time-like whereas conventionally loop momenta is space-like because the Wick rotation of the integration momenta occurs in Euclidean space. This mixed appearance of different kinds of momentum variables might cause variable $p^{2}$ in the quark self-energy $\Sigma(-p^{2})$ in the time-like region or even with imaginary components. If there exists an analytical expression of $\Sigma(-p^{2})$, such as for instantons instanton or just some simple ansatz Holdom , there will be no problem, because the extension to the time-like region or imaginary region is explicit. If $\Sigma(-p^{2})$ however is defined as the solution of the Schwinger-Dyson equation (SDE), we meet a difficulty. The conventional numerical solution of the SDE is only defined in a space-like region; beyond that, the solution has still not been investigated well anlycity . In this paper, chiral perturbation is exploited to overcome this difficulty, with the finding that this perturbation works well. In the following, we first give a short review of the GND model, next compute vertices, proving that our vertices satisfy the standard WTIs, and finally discuss PDAs. We start with the generating functional of QCD, $\displaystyle e^{iW[\overline{I},I,J]}=\int\mathcal{D}\overline{\psi}\mathcal{D}\psi\mathcal{D}\overline{\Psi}\mathcal{D}\Psi\mathcal{D}A_{\mu}^{\alpha}~{}e^{i\int d^{4}x[-\frac{1}{4}G_{\mu\nu}^{\alpha}G^{\alpha\mu\nu}+\overline{\Psi}(i\not{\partial}-g\frac{\lambda^{\alpha}}{2}\not{A}^{\alpha}-M)\Psi+\overline{\psi}(i\not{\partial}-g\frac{\lambda^{\alpha}}{2}\not{A}^{\alpha}+J)\psi+\overline{I}\psi+\overline{I}\psi]}\;,$ (1) where $\overline{\psi}$ and $\psi$ are light-quark fields (only u and d quark are taken as light quarks in this paper), $\overline{\Psi}$ and $\Psi$ are heavy-quark fields with mass $M$, $A_{\mu}^{\alpha}$ is the gluon field and $G_{\mu\nu}^{\alpha}$ its field strength. $\overline{I}$ and $I$ are external sources for light-quark fields; $J$ is the external current source for bilinear local light-quark fields. According to its $\gamma$ matrix structure, it can be decomposed into vector, axial-vector, scalar, pseudo-scalar, and tensor parts $\displaystyle J(x)=\not{v}(x)+\not{a}(x)\gamma_{5}-s(x)+ip(x)\gamma_{5}+\bar{t}^{\mu\nu}(x)\sigma_{\mu\nu}\;.$ (2) The current quark mass $m$ for light quarks are absorbed into the scalar source $s(x)$; i.e. on the vacuum, all external sources vanish, except $s(x)=m$. After integrating out gluon and heavy-quark fields and integrating in the pseudo-scalar meson field, according to the discussion of Ref.WQ2002 , the generating functional (1) can be approximated by $\displaystyle e^{iW[\overline{I},I,J]}=\int\mathcal{D}U\mathcal{D}\overline{\psi}_{\Omega}\mathcal{D}\psi_{\Omega}~{}e^{iS_{\mathrm{GND}}[\overline{\psi}_{\Omega},\psi_{\Omega},J_{\Omega},\overline{I}_{\Omega},I_{\Omega}]}$ (3) $\displaystyle S_{\mathrm{GND}}[\overline{\psi}_{\Omega},\psi_{\Omega},J_{\Omega},\overline{I}_{\Omega},I_{\Omega}]=\int d^{4}x\bigg{[}\overline{\psi}_{\Omega}[i\not{\partial}+J_{\Omega}-\Sigma(\overline{\nabla}^{2})]\psi_{\Omega}+\overline{I}_{\Omega}\psi_{\Omega}+\overline{I}_{\Omega}\psi_{\Omega}\bigg{]}$ (4) $\displaystyle\psi_{\Omega}=[\Omega^{{\dagger}}P_{R}+\Omega P_{L}]\psi\hskip 22.76228pt\overline{\psi}_{\Omega}=\overline{\psi}[\Omega^{{\dagger}}P_{R}+\Omega P_{L}]\hskip 28.45274ptI_{\Omega}=[\Omega^{{\dagger}}P_{L}+\Omega P_{R}]I\hskip 22.76228pt\overline{I}_{\Omega}=\overline{I}[\Omega^{{\dagger}}P_{L}+\Omega P_{R}]$ (5) $\displaystyle J_{\Omega}=[\Omega^{{\dagger}}P_{L}+\Omega P_{R}][J+i\not{\partial}][\Omega^{{\dagger}}P_{L}+\Omega P_{R}]=\not{v}_{\Omega}+\not{a}_{\Omega}\gamma_{5}-s_{\Omega}+ip_{\Omega}\gamma_{5}+\sigma_{\mu\nu}\bar{t}^{\mu\nu}_{\Omega}$ (6) $\displaystyle U=\Omega^{2}\hskip 56.9055pt\overline{\nabla}^{\mu}=\partial^{\mu}-iv_{\Omega}^{\mu}\;,$ (7) where $U$ and $\Omega$ are unimodular pseudo-scalar meson fields, $\overline{\psi}_{\Omega}$,$\psi_{\Omega}$ and $\overline{I}_{\Omega}$,$I_{\Omega}$ are rotated light-quark fields and corresponding sources, respectively, $J_{\Omega}$ is the rotated source for the rotated bilinear quark currents. $\Sigma(-p^{2})$ is the self-energy for the rotated light-quark fields which satisfy the corresponding SDE. $S_{\mathrm{GND}}[\overline{\psi}_{\Omega},\psi_{\Omega},J_{\Omega},\overline{I}_{\Omega},I_{\Omega}]$ is the action of the GND model; in the original paper GND , $\overline{I}$ and $I$ were not introduced, but an extra normalization term $i\mathrm{Trln}[i\not{\partial}+J_{\Omega}]$ appeared. In Ref.WQ2010 , this extra term was later proven to drop out. Integrating out the rotated light- quark and pseudo-scalar meson fields of (3), we obtain $\displaystyle W[\overline{I},I,J]=-i\mathrm{Trln}D^{-1}-\int d^{4}xd^{4}y\overline{I}_{\Omega}(x)D(x,y)I_{\Omega}(y)+\mbox{pseudo-scalar meson loop corrections}$ (8) $\displaystyle D^{-1}(x,y)=[i\not{\partial}_{x}+J_{\Omega}-\Sigma(\overline{\nabla}_{x}^{2})]\delta(x-y)\;,$ (9) where the pseudo-scalar field $\Omega$ in (8) must satisfy the stationary equation $\frac{\partial\mathrm{Trln}D^{-1}}{\partial\Omega(x)}=0$ for $\overline{I}=I=0$. Considering that in the low-energy region, we have shown in WQ2002 that the Lagrangian of (8) just presumes the standard Gasser- Leutwyler chiral Lagrangian GS , the stationary equation then can be replaced with the equation of motion (EOM) derived from the Gasser-Leutwyler chiral Lagrangian. For convenience in computation, we use below this chiral Lagrangian-induced EOM for $\Omega$, because it is more common and relatively simple. Neglecting pseudo-scalar meson loop corrections, the vertices in the chiral limit are defined by the following 3-point Green’s function $\displaystyle\langle 0|\mathbf{T}\psi(x)\overline{\psi}(y)\overline{\psi}(z)\tilde{\gamma}_{i}\tau^{a}\psi(z)|0\rangle_{m=0}=-\frac{\delta^{3}W[\overline{I},I,J]}{\delta\overline{I}(x)\delta I(y)\delta J_{i}^{a}(z)}\bigg{|}_{J=0,\overline{I}=I=0}\equiv\int d^{4}x^{\prime}d^{4}y^{\prime}D(x,x^{\prime})\Gamma_{i}^{a}(x^{\prime},y^{\prime},z)D(y^{\prime}y)$ (10) $\displaystyle=-\frac{\delta}{\delta J_{i}^{a}(z)}\bigg{[}[\Omega^{\dagger}(x)P_{L}+\Omega(x)P_{R}]D(x,y)[\Omega^{\dagger}(y)P_{L}+\Omega(y)P_{R}]\bigg{]}\bigg{|}_{J=0,\overline{I}=I=0}\;,$ which yields $\displaystyle\Gamma_{i}^{a}(x,y,z)=\bigg{[}\frac{\delta D^{-1}(x,y)}{\delta J_{i}^{a}(z)}-D^{-1}(x,y)\frac{\delta\Omega(y)}{\delta J_{i}^{a}(z)}\gamma_{5}-\frac{\delta\Omega(x)}{\delta J_{i}^{a}(z)}\gamma_{5}D^{-1}(x,y)\bigg{]}\bigg{|}_{J=0,\overline{I}=I=0}\;,$ (11) where $i=S,P,V,A,T$, $\tau^{a}$ are the Pauli matrices in isospin space with $\tau^{0}=1$, and $\displaystyle J_{S}^{a}=-s^{a}\hskip 8.5359ptJ_{P}^{a}=p^{a}\hskip 8.5359ptJ_{V}^{a}=v_{\mu}^{a}\hskip 8.5359ptJ_{A}^{a}=a_{\mu}^{a}\hskip 8.5359ptJ_{T}^{a}=\bar{t}_{\mu\nu}^{a}\hskip 28.45274pt\tilde{\gamma}_{S}=1\hskip 8.5359pt\tilde{\gamma}_{P}=i\gamma_{5}\hskip 8.5359pt\tilde{\gamma}_{V}=\gamma^{\mu}\hskip 8.5359pt\tilde{\gamma}_{A}=\gamma^{\mu}\gamma_{5}\hskip 8.5359pt\tilde{\gamma}_{T}=\sigma^{\mu\nu}$ with the help of the following EOM results in the chiral limit $\displaystyle\frac{\delta\Omega(x)}{\delta s^{a}(y)}\bigg{|}_{J=0,\overline{I}=I=0}=\frac{\delta\Omega(x)}{\delta v_{\mu}^{a}(y)}\bigg{|}_{J=0,\overline{I}=I=0}=\frac{\delta\Omega(x)}{\delta\bar{t}_{\mu\nu}^{a}(y)}\bigg{|}_{J=0,\overline{I}=I=0}=0$ (12) $\displaystyle\frac{\delta\Omega(x)}{\delta p^{a}(y)}\bigg{|}_{J=0,\overline{I}=I=0}=\tau^{a}(1-\delta_{a0})\frac{iB_{0}}{\partial^{2}_{x}}\delta(x-y)\hskip 28.45274pt\frac{\delta\Omega(x)}{\delta a_{\mu}^{a}(y)}\bigg{|}_{J=0,\overline{I}=I=0}=\bigg{[}\tau^{a}(1-\delta_{a0})+\delta_{a0}\bigg{]}\frac{i\partial^{\mu}_{x}}{\partial^{2}_{x}}\delta(x-y)\;,$ (13) where $B_{0}=-\frac{1}{2}\langle\overline{\psi}\psi\rangle/F_{0}^{2}$ is the $p^{2}$-order low-energy constant of the Gasser-Leutwyler chiral Lagrangian related to the ratio of the quark condensate $\langle\overline{\psi}\psi\rangle$ and the square of the pion decay constant, $F_{0}^{2}$. With the help of (12) and (13), we can compute a series derivation of rotated sources $s_{\Omega},p_{\Omega},v_{\Omega},a_{\Omega},\bar{t}_{\Omega}$ to un-rotated sources $s,p,v,a,\bar{t}$. With these relations, we obtain the chiral-limit result $\displaystyle\Gamma_{S}^{a}(x,y,z)=\tau^{a}\delta(x-z)\delta(y-z)\hskip 56.9055pt\Gamma_{T,\mu\nu}^{a}(x,y,z)=\tau^{a}\sigma_{\mu\nu}\delta(x-z)\delta(y-z)$ (14) $\displaystyle\Gamma_{i}^{a}(x,y,z)=\int\frac{d^{4}pd^{4}q}{(2\pi)^{8}}e^{-iq\cdot x+ip\cdot y+i(q-p)\cdot z}\tilde{\Gamma}_{i}^{a}(p,q)\hskip 28.45274pti=P,V,A\;.$ (15) Whereas the resulting scalar and tensor vertices are trivial, the pseudo- scalar, vector, and axial-vector vertices are non-trivial, their momentum space expressions being $\displaystyle\tilde{\Gamma}_{P}^{a}(p,q)=i\tau^{a}\bigg{[}1-B_{0}(1-\delta_{a0})\frac{\Sigma(-q^{2})+\Sigma(-p^{2})}{(q-p)^{2}}\bigg{]}\gamma_{5}$ (16) $\displaystyle\tilde{\Gamma}_{V,\mu}^{a}(p,q)=\tau^{a}\bigg{[}\gamma_{\mu}-\frac{q_{\mu}+p_{\mu}}{q^{2}-p^{2}}[\Sigma(-q^{2})-\Sigma(-p^{2})]\bigg{]}$ (17) $\displaystyle\tilde{\Gamma}_{A,\mu}^{a}(p,q)=\tau^{a}\bigg{[}\gamma_{\mu}-\frac{q_{\mu}-p_{\mu}}{(q-p)^{2}}[\Sigma(-q^{2})+\Sigma(-p^{2})]\bigg{]}\gamma_{5}\;.$ (18) Equations (17) and (18) have exactly the same forms as those assumed by Ref.Holdom . From (17), the WTI for the vector vertex is $\displaystyle(q-p)^{\mu}\tilde{\Gamma}_{V,\mu}^{a}=\tau^{a}[S^{-1}(q)-S^{-1}(p)]\hskip 56.9055ptS^{-1}(p)=\not{p}-\Sigma(-p^{2})\;,$ (19) where $S(p)$ is the light-quark propagator in momentum space with $D(x,y)\bigg{|}_{J=0}=\int\frac{d^{4}p}{(2\pi)^{4}}e^{-ip\cdot x}S(p)$. From (18), the WTI for the axial-vector vertex is $\displaystyle(q-p)^{\mu}\tilde{\Gamma}_{A,\mu}^{a}=\tau^{a}[S^{-1}(q)\gamma_{5}+\gamma_{5}S^{-1}(p)]\;.$ (20) The above two WTIs are standard and yield the minimal solutions for (17) and (18). We call (14), (16), (17) and (18) the minimal WT vertices and the corresponding GND model is the model which correctly generates these minimal WT vertices. In other words, if one prefers to trace the minimal WT vertices back to a source effective action, it is just the GND model action (4). Considering that the present GND model is only an approximation of the underlying QCD, we will in the future discuss its corrections in QCD. That will mean amending the above minimal WT vertices. We shall now discuss the light-cone PDAs, their definitions being as in Ref.DAdef $\displaystyle\langle\vec{p}|\psi(x)\overline{\psi}(0)|0\rangle$ $\displaystyle=$ $\displaystyle-\frac{if}{4}\int_{0}^{1}du~{}e^{i(1-u)p\cdot x}~{}\Phi(u,p,x)\;,$ (21) $\displaystyle\Phi(u,p,x)$ $\displaystyle=$ $\displaystyle\bigg{[}\not{p}\gamma_{5}\phi(u)-\frac{m_{\pi}^{2}}{2m}\gamma_{5}[\phi_{p}(u)+\sigma_{\mu\nu}p^{\mu}x^{\nu}\frac{\phi_{\sigma}(u)}{6}]+\mbox{high twist corrections}\bigg{]}_{p^{0}=\sqrt{\vec{p}^{2}+m_{\pi}^{2}}}\;,$ (22) where $\langle\vec{p}|$ is a pion state with momentum $\vec{p}$, $m_{\pi},m_{u},m_{d}$ are masses of the pion, u quark, and d quark respectively. For simplicity, we ignore the mass difference between u and d quarks setting them to the same current mass $m=m_{u}=m_{d}$. $\phi(u)$ is the leading twist or twist-2 PDA, $\psi_{p}(u)$ and $\phi_{\sigma}(u)$ are sub- leading or twist-3 PDAs that correspond to the pseudo-scalar and the pseudo- tensor structures respectively. In our model, the operator $\psi(x)\overline{\psi}(0)$ appeared in (21) is related to $\frac{\delta^{2}W[\overline{I},I,J]}{\delta\overline{I}(x)\delta I(0)}$, and its contribution to the pion matrix element relies on the part proportional to the pion field in the result. Parameterizing the pion field $\Pi$ by $\Omega=e^{i\Pi/2}$, the rotated source becomes $\displaystyle J_{\Omega}\bigg{|}_{J=-m,\overline{I}=I=0}=[1+i\frac{\Pi}{2}\gamma_{5}][-m+i\not{\partial}][1+i\frac{\Pi}{2}\gamma_{5}]=-m-(im\Pi+\frac{1}{2}\not{\partial}\Pi)\gamma_{5}+O(\Pi^{2})\;.$ (23) Hence, $\displaystyle\langle\vec{p}|\psi(x)\overline{\psi}(0)|0\rangle=\langle\vec{p}|\frac{\delta^{2}W[\overline{I},I,J]}{\delta\overline{I}(x)\delta I(0)}|0\rangle\bigg{|}_{J=-m,\overline{I}=I=0}$ $\displaystyle=\langle\vec{p}|[1+\frac{i}{2}\Pi(x)\gamma_{5}]\bigg{[}\frac{1}{i\not{\partial}-m-\Sigma(\partial^{2})-(im\Pi+\frac{1}{2}\not{\partial}\Pi)\gamma_{5}}\bigg{]}(x,0)[1+\frac{i}{2}\Pi(x)\gamma_{5}]|0\rangle$ $\displaystyle=i\langle\vec{p}|\Pi(0)|0\rangle\int\frac{d^{4}q}{(2\pi)^{4}}e^{iq\cdot x}\bigg{[}\gamma_{5}e^{ip\cdot x}\frac{m+\Sigma(-q^{2})}{q^{2}-[m+\Sigma(-q^{2})]^{2}}-\frac{1}{\not{q}\\!+\\!m\\!+\\!\Sigma(-q^{2})}(m+\frac{\not{p}}{2})\gamma_{5}\frac{1}{\not{p}\\!-\\!\not{q}\\!-\\!m\\!-\\!\Sigma[-(p-q)^{2}]}\bigg{]}\;,$ (24) where the first term, after expanding $e^{iq\cdot x}$ in terms of powers of $q\cdot x$ and ignoring high twist $O(x^{2})$ terms, contributes to the twist-3 pseudo-scalar PDA $\phi_{p}(u)$ at the end-point $u=0$, whereas the second term can be changed to the form of (21) by the standard Feynman parametrization method, $\displaystyle\int\frac{d^{4}q}{(2\pi)^{4}}e^{iq\cdot x}\frac{1}{\not{q}\\!+\\!\tilde{\Sigma}(q)}(m+\frac{\not{p}}{2})\gamma_{5}\frac{1}{\not{p}\\!-\\!\not{q}\\!-\\!\tilde{\Sigma}(p-q)}=\int\frac{d^{4}q}{(2\pi)^{4}}e^{iq\cdot x}\frac{\not{q}\\!-\\!\tilde{\Sigma}(q)}{q^{2}\\!-\\!\tilde{\Sigma}^{2}(q)}(m+\frac{\not{p}}{2})\gamma_{5}\frac{\not{p}\\!-\\!\not{q}\\!+\\!\tilde{\Sigma}(p-q)}{(p-q)^{2}\\!-\\!\tilde{\Sigma}^{2}(p-q)}$ $\displaystyle=\int_{0}^{1}du~{}e^{i(1-u)p{\cdot}x}\int\frac{d^{4}q}{(2\pi)^{4}}e^{iq{\cdot}x}\frac{[\not{q}+(1-u)\not{p}\\!-\\!\tilde{\Sigma}(q+p-up)](m+\frac{\not{p}}{2})[-u\not{p}\\!+\\!\not{q}\\!+\\!\tilde{\Sigma}(up-q)]}{\\{q^{2}+u(1-u)p^{2}-\tilde{\Sigma}^{2}(q+p-up)+(1-u)[\tilde{\Sigma}^{2}(q+p-up)-\tilde{\Sigma}^{2}(up-q)]\\}^{2}}\gamma_{5}\;,$ (25) where $u$ is the standard Feynman parameter appearing in the well-known Feynman parameter integration and $\tilde{\Sigma}(q)$ is the abbreviated expression for $m\\!+\\!\Sigma(-q^{2})$. Conventionally, the Feynman parameter integration is used to deal with loop-momentum integration with constant mass in the perturbation theory; here, applied to the momentum integration involving momentum-dependent quark self-energy, it still works. One can easily check that if we take the quark self-energy appearing in (25) back to constant mass as in the traditional NJL model, (25) just becomes the standard Feynman parameterization formula. Indeed, this identification of the Feynman parameter with the PDA variable $u$ not only endows the traditional mathematical Feynman parameter with a physical meaning, but also is valid in any kind of chiral quark or NJL-like models, as long as we have momentum integration of form (25) with two quark propagators (the form of vertex between two propagators is not important for this issue), no matter whether the models are local or non- local. This result is independent of the GND model investigated in this paper; the GND model here is taken as an example to exhibit details of the computation . With the above Feynman parameterization, and after lengthy computations, we finally obtain $\Phi(u,p,x)$ introduced in (21) as $\displaystyle-\frac{if}{4}\Phi(u,p,x)$ $\displaystyle=$ $\displaystyle i\langle\vec{p}|\Pi(0)|0\rangle\bigg{\\{}\delta(u\\!-\\!0^{+})\int\frac{d^{4}q}{(2\pi)^{4}}\gamma_{5}\frac{\tilde{\Sigma}(q)}{q^{2}-\tilde{\Sigma}^{2}(q)}$ (26) $\displaystyle-\int\frac{d^{4}q}{(2\pi)^{4}}\frac{I_{3}\\!+\\!\frac{p{\cdot}q}{p^{2}}I_{1}\\!+\\!\left(\frac{q^{2}}{3}\\!-\\!\frac{(p{\cdot}q)^{2}}{3p^{2}}\right)iI_{2}}{\\{q^{2}+u(1-u)p^{2}-\tilde{\Sigma}^{2}(up-q)+u[\tilde{\Sigma}^{2}(up-q)-\tilde{\Sigma}^{2}(q+p-up)]\\}^{2}}\gamma_{5}$ $\displaystyle-\left[-\delta(u\\!-\\!1^{-})\\!+\\!\delta(u\\!-\\!0^{+})\\!+\\!\frac{\partial}{\partial u}\right]\int\frac{d^{4}q}{(2\pi)^{4}}\frac{\left(\frac{q^{2}}{3}\\!-\\!\frac{(p{\cdot}q)^{2}}{3p^{2}}\right)I_{4}\\!+\\!\frac{p{\cdot}q}{p^{2}}I_{3}+\left(-\frac{q^{2}}{3}\\!+\\!\frac{4(p{\cdot}q)^{2}}{3p^{2}}\right)\frac{I_{1}}{p^{2}}}{\\{q^{2}+u(1-u)p^{2}-\tilde{\Sigma}^{2}(up-q)+u[\tilde{\Sigma}^{2}(up-q)-\tilde{\Sigma}^{2}(q+p-up)]\\}^{2}}\gamma_{5}\bigg{\\}}$ $\displaystyle+\mbox{high twist terms}\;,$ where $p^{2}=m^{2}_{\pi}$ and $\displaystyle I_{1}$ $\displaystyle=$ $\displaystyle\not{p}[q{\cdot}p+\frac{1}{2}(1-2u)p^{2}+m\tilde{\Sigma}(up-q)-m\tilde{\Sigma}(q+p-up)]+\frac{1}{2}p^{2}[2(1-2u)m+\tilde{\Sigma}(up-q)-\tilde{\Sigma}(q+p-up)]\;,$ (30) $\displaystyle I_{2}=\frac{1}{2}x_{\mu}p_{\nu}[\gamma^{\mu},\gamma^{\nu}][\frac{1}{2}\tilde{\Sigma}(up-q)-m\\!+\\!\frac{1}{2}\tilde{\Sigma}(q+p-up)]\;,~{}~{}~{}$ $\displaystyle I_{3}=(m-\not{p})q^{2}+[(1-u)\not{p}\\!-\\!\tilde{\Sigma}(q+p-up)](m+\frac{\not{p}}{2})[-u\not{p}\\!+\\!\tilde{\Sigma}(up-q)]\;,$ $\displaystyle I_{4}=\frac{1}{2}\tilde{\Sigma}(up-q)+(1-2u)m\\!-\\!\frac{1}{2}\tilde{\Sigma}(q+p-up)\;.$ In (26), we have dropped terms proportional to $\not{x}$, since they belong to twist-4 terms. The delta function terms are just end-point terms that are from non-exponential $p{\cdot}x$ terms appearing in the original momentum integration (25) when we expand $e^{iq\cdot x}$ in terms of powers of $q\cdot x$ and apply Lorentz invariance in decomposing its Lorentz structure. Since (26) already has structure of (22), through comparison between the two equations, we can easily read out general expressions of PDAs $\phi(u)$, $\psi_{p}(u)$ and $\phi_{\sigma}(u)$ in terms of quark self energy. One can check that except the pure end point term in the first line of (26), all other terms satisfying symmetry $u\leftrightarrow 1-u$, since under combined transformation of $u\leftrightarrow 1-u$ and $q\leftrightarrow-q$, the integrand of momentum integration is even for the second line and odd for the third line, respectively. This implies the corresponding symmetry of $u\leftrightarrow 1-u$ for result PDAs. In the chiral limit, $m=0$ and $p^{2}=m^{2}_{\pi}=0$, we find (26) simplifies to $\displaystyle\Phi(u,p,x)\stackrel{{\scriptstyle\mbox{\tiny chiral limit}}}{{======}}$ $\displaystyle\Phi_{0}(u,p,x)=-\frac{4\langle\vec{p}|\Pi(0)|0\rangle}{f}\bigg{[}\not{p}\gamma_{5}\bigg{(}[\delta(u-1^{-})+\delta(u-0^{+})]\phi_{\delta 0}+\phi_{0}\bigg{)}$ (31) $\displaystyle\hskip 110.96556pt+\delta(u-0^{+})\phi_{p,\delta 0}-\frac{m_{\pi}^{2}}{2m}\gamma_{5}\sigma_{\mu\nu}p^{\mu}x^{\nu}\frac{\phi_{\sigma,0}}{6}\bigg{]}\;,~{}~{}~{}$ where the four coefficients $\phi_{\delta 0}$,$\phi_{0}$,$\phi_{p,\delta 0}$ and $\phi_{\sigma,0}$ are expressed as Euclidean-space momentum integrations $\displaystyle\phi_{\delta 0}=-\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}\frac{1}{4}X^{2}q_{E}^{2}\Sigma\Sigma^{\prime}\hskip 36.98866pt\phi_{0}=\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}X^{2}[\frac{1}{4}q_{E}^{2}-\frac{1}{2}\Sigma^{2}+\frac{1}{2}q_{E}^{2}\Sigma\Sigma^{\prime}]$ (32) $\displaystyle\phi_{p,\delta 0}=\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}X\Sigma\hskip 71.13188pt\phi_{\sigma,0}=\frac{3m}{m_{\pi}^{2}}\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}X^{2}q_{E}^{2}\Sigma\;,$ (33) $\displaystyle\Sigma=\Sigma(q_{E}^{2})\hskip 28.45274pt\Sigma^{\prime}=\frac{d\Sigma(q_{E}^{2})}{dq_{E}^{2}}\hskip 28.45274ptX=\frac{1}{q_{E}^{2}+\Sigma^{2}(q_{E}^{2})}\;.$ (34) Comparing the above result with (22), we find that with the exception of end- point values for $\phi(u)$ symmetrically at u=0 and u=1 and $\phi_{p}(u)$ non- symmetrically at u=0, PDAs are all independent of $u$ ($\phi_{p}(u)$ even vanishes) and therefore take flat-like forms. Graphically, the pictures are that two symmetric infinitesimal narrow pillars at two end points appear above the flat-like form backgrounds for $\phi(u)$, one pure non-symmetric pillar at $u=0$ for $\phi_{p}(u)$ with zero background, and no pillar for $\phi_{\sigma}(u)$ with just flat-like form background. This result is completely due to the Feynman parameter description of PDAs, and therefore is valid for any type of chiral quark or NJL-like models, whether local or non- local (one can check by replacing quark self energy with constant mass that the end-point terms from $\delta-$function for $\phi(u)$ and $\phi_{p}(u)$ exist even in local situations). This result is differs from those previously obtained in the literature, where researchers believed that the momentum dependence of the quark self-energy would force PDAs to deviate from flat-like forms in the chiral limit. Considering our result is analytical that does not rely on technical details of numerical computations and is valid for a large class of chiral quark models, we believe it is reliable. This result implies that, at least in the chiral limit, the momentum-dependent behavior of the quark self-energy, or more fundamentally the related non-locality of its interaction, causes no difference in the form of PDAs with constant mass or local interaction such as the NJL model. For the chiral limit result (31), $\phi(u)$ and $\phi_{\sigma}(u)$ are ultraviolet divergent. The reason causing this divergence is that the quark self-energy of the GND model is for the rotated quark field. If the quark self-energy instead is for the un-rotated quark fields, as the conventional instanton model does, we need to replace the current quark mass $m$ appearing in the numerator of the l.h.s. term of (25) with the quark self-energy and ignore the $\not{p}$ term in the same numerator. This then will suppress the ultraviolet behavior of the momentum integration decreasing the ultraviolet divergences of PDAs . If we want to go beyond the chiral limit, the momentum integrations in the second and third line of (26) are not easy to achieve. To finish the momentum integrations, we are used to rotate the momentum integration variable $q$ into Euclidean space, although the external momentum $p$ must be kept on the pion mass shell, $p^{2}=m^{2}_{\pi}$. This will create some imaginary components; for example $\Sigma[-(q-up)^{2}]=\Sigma[-q^{2}-u^{2}p^{2}+2uq{\cdot}p]$ will become $\Sigma[q_{E}^{2}-u^{2}p^{2}+2u(iq_{E}^{0}p^{0}-\vec{q}_{E}\cdot\vec{p})]$ after a Wick rotation for integration variable $q^{\mu}=(q^{0},\vec{q})\rightarrow(iq_{E}^{0},\vec{q}_{E})$. Because the SDE now cannot provide us with a reliable quark self-energy beyond the space-like momentum region, we are not able then to directly compute the momentum integration in (26). One way to avoid this difficulty is to go back to the original constant quark mass case (or equivalently the NJL model situation), where all momentum integration can be analytically finished except we need some momentum cutoff to regularize the integration. An alternative approach is to set an analytical expression for $\Sigma(-q^{2})$, as for instantons instanton or introduce some simple ansatz Holdom , then the momentum integration can still be finished, at least at the level of numerical computations. Considering that for the former information of the momentum dependence of the quark self-energy is lost, and the latter is constrained by specific choices of quark self-energy which also might not precisely describe its QCD behavior, we propose in this paper to expand the integrand in terms of powers of $p^{2}=m^{2}_{\pi}$ and $m$. The underlying basis for this expansion is that when we go to higher-order terms in the expansion, according to (26), typically we encounter a factor of $[p{\cdot}q/(q^{2}+\Sigma^{2})]^{2}$ or $p^{2}/(q^{2}+\Sigma^{2})$ or $mp{\cdot}q/(q^{2}+\Sigma^{2})$. In units of the QCD scale parameter $\Lambda_{\mathrm{QCD}}$, the largest contribution comes mainly from the platform region of the quark self-energy in which $\Sigma/\Lambda_{\mathrm{QCD}}\sim 2$ and $q_{E}/\Lambda_{\mathrm{QCD}}\leq 1$ because quark self-energies above $\Lambda_{\mathrm{QCD}}$ decrease with momentum as $1/q^{2}$ WQ2002 and contribute little. Considering that in our case $\Lambda_{\mathrm{QCD}}\sim 440$MeV is much larger than the pion mass, i.e. $p/\Lambda_{\mathrm{QCD}}\sim m_{\pi}/\Lambda_{\mathrm{QCD}}\sim 1/3$, and $m<10$MeV, then the first factor $[p{\cdot}q/(q^{2}+\Sigma^{2})]^{2}\sim 10^{-2}$, the second factor $p^{2}/(q^{2}+\Sigma^{2})\sim 10^{-1}$, and the third factor $mp{\cdot}q/(q^{2}+\Sigma^{2})\sim 10^{-3}$; that is, each factor is at least an order of magnitude small. We expect chiral expansion will works well. With this analysis, the result of the detail computation gives up to first order, $\displaystyle\Phi(u,p,x)$ $\displaystyle=$ $\displaystyle\Phi_{0}(u,p,x)+\Phi_{1}(u,p,x)+O(m^{4}_{\pi},m^{2},mm^{2}_{\pi})\;,$ (35) $\displaystyle\Phi_{1}(u,p,x)$ $\displaystyle=$ $\displaystyle-\frac{4\langle\vec{p}|\Pi(0)|0\rangle}{f}\bigg{[}\not{p}\gamma_{5}\bigg{(}[\delta(u-1^{-})+\delta(u-0^{+})]\phi_{\delta 1}+\phi_{10}+\phi_{11}u(1-u)\bigg{)}$ (36) $\displaystyle+\delta(u-0^{+})\phi_{p,\delta 10}+[\delta(u-1^{-})+\delta(u-0^{+})]\phi_{p,\delta 11}+\phi_{p1}-\frac{m_{\pi}^{2}}{2m}\gamma_{5}\sigma_{\mu\nu}p^{\mu}x^{\nu}\frac{\phi_{\sigma,10}+\phi_{\sigma,11}u(1-u)}{6}\bigg{]}~{}~{}~{}\;,$ where the eight coefficients $\phi_{\delta 1}$,$\phi_{10}$,$\phi_{11}$,$\phi_{p,\delta 10}$,$\phi_{p,\delta 11}$,$\phi_{p1}$,$\phi_{\sigma,10}$, and $\phi_{\sigma,11}$ are expressed as Euclidean-space momentum integrations $\displaystyle\phi_{\delta 1}$ $\displaystyle=$ $\displaystyle m_{\pi}^{2}\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}\bigg{[}X^{2}(\frac{1}{4}q_{E}^{2}\Sigma\Sigma^{\prime\prime}+\frac{1}{12}q_{E}^{4}\Sigma\Sigma^{\prime\prime}-\frac{1}{6}q_{E}^{4}\frac{m}{m_{\pi}^{2}}\Sigma^{\prime\prime})\bigg{]}$ (37) $\displaystyle\phi_{10}$ $\displaystyle=$ $\displaystyle m_{\pi}^{2}\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}\bigg{[}X^{2}[(\Sigma-\frac{1}{2}q_{E}^{2}\Sigma^{\prime}+\frac{1}{3}q_{E}^{4}\Sigma^{\prime\prime})\frac{m}{m_{\pi}^{2}}+\frac{1}{2}\Sigma\Sigma^{\prime}-\frac{1}{2}q_{E}^{2}\Sigma\Sigma^{\prime\prime}-\frac{1}{4}q_{E}^{2}{\Sigma^{\prime}}^{2}$ $\displaystyle-\frac{1}{4}q_{E}^{4}\Sigma^{\prime}\Sigma^{\prime\prime}-\frac{1}{4}q_{E}^{4}\Sigma\Sigma^{\prime\prime\prime})+X^{3}(-\frac{1}{2}q_{E}^{2}\Sigma\Sigma^{\prime}-2q_{E}^{2}\Sigma^{2}{\Sigma^{\prime}}^{2}-q_{E}^{2}\Sigma^{3}\Sigma^{\prime\prime}-q_{E}^{4}\Sigma{\Sigma^{\prime}}^{3}-2q_{E}^{4}\Sigma^{2}\Sigma^{\prime}\Sigma^{\prime\prime}-\frac{1}{3}q_{E}^{4}\Sigma^{3}\Sigma^{\prime\prime\prime})\bigg{]}\;,$ $\displaystyle\phi_{11}$ $\displaystyle=$ $\displaystyle m_{\pi}^{2}\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}\bigg{[}X^{2}(-\frac{1}{2}-\Sigma\Sigma^{\prime}+q_{E}^{2}{\Sigma^{\prime}}^{2}+q_{E}^{2}\Sigma\Sigma^{\prime\prime}+\frac{3}{2}q_{E}^{4}\Sigma^{\prime}\Sigma^{\prime\prime}+\frac{1}{2}q_{E}^{4}\Sigma\Sigma^{\prime\prime\prime})$ $\displaystyle+X^{3}(-\Sigma^{2}-2\Sigma^{3}\Sigma^{\prime}+\frac{1}{2}q_{E}^{2}+4q_{E}^{2}\Sigma\Sigma^{\prime}+11q_{E}^{2}\Sigma^{2}{\Sigma^{\prime}}^{2}+5q_{E}^{2}\Sigma^{3}\Sigma^{\prime\prime}+6q_{E}^{4}\Sigma{\Sigma^{\prime}}^{3}+12q_{E}^{4}\Sigma^{2}\Sigma^{\prime}\Sigma^{\prime\prime}+2q_{E}^{4}\Sigma^{3}\Sigma^{\prime\prime\prime})\bigg{]}\;,$ $\displaystyle\phi_{p,\delta 10}$ $\displaystyle=$ $\displaystyle\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}mX[1-2X\Sigma^{2}]\;,$ (40) $\displaystyle\phi_{p,\delta 11}$ $\displaystyle=$ $\displaystyle 2m\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}X^{2}\bigg{[}(-\frac{1}{4}q_{E}^{2}-\frac{1}{2}q_{E}^{2}\Sigma\Sigma^{\prime})\frac{m}{m_{\pi}^{2}}-\frac{1}{8}q_{E}^{2}\Sigma^{\prime}-\frac{1}{8}q_{E}^{4}\Sigma^{\prime\prime}\bigg{]}\;,$ (41) $\displaystyle\phi_{p1}$ $\displaystyle=$ $\displaystyle 2m\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}X^{2}\bigg{[}(\Sigma^{2}+\frac{3}{2}q_{E}^{2}+q_{E}^{2}\Sigma\Sigma^{\prime})\frac{m}{m_{\pi}^{2}}-\frac{1}{2}\Sigma+\frac{1}{4}q_{E}^{4}\Sigma^{\prime\prime}\bigg{]}\;,$ (42) $\displaystyle\phi_{\sigma,10}$ $\displaystyle=$ $\displaystyle 12m\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}X^{2}\bigg{[}-\frac{1}{4}q_{E}^{2}\frac{m}{m_{\pi}^{2}}-\frac{1}{8}q_{E}^{2}\Sigma^{\prime}-\frac{1}{24}q_{E}^{4}\Sigma^{\prime\prime}\bigg{]}\;,$ (43) $\displaystyle\phi_{\sigma,11}$ $\displaystyle=$ $\displaystyle 12m\int\frac{q_{E}^{2}dq_{E}^{2}}{16\pi^{2}}X^{2}\bigg{[}\frac{1}{4}q_{E}^{2}\Sigma^{\prime}+\frac{1}{12}q_{E}^{4}\Sigma^{\prime\prime}\bigg{]}\;,$ (45) $\displaystyle\Sigma^{\prime\prime}=\frac{d^{2}\Sigma(q_{E}^{2})}{d(q_{E}^{2})^{2}}\hskip 28.45274pt\Sigma^{\prime\prime\prime}=\frac{d^{3}\Sigma(q_{E}^{2})}{d(q_{E}^{2})^{3}}\;.$ We see that the first-order corrections include three parts * • Corrections to chiral limit result which include: heights to two symmetric infinitesimal narrow pillars at two end points from $\phi_{\delta 1}$ and to the flat-like form backgrounds from $\phi_{10}$ for $\phi(u)$; heights to non- symmetric pillar at $u=0$ from $\phi_{p,\delta 10}$ and to zero backgrounds from $\phi_{p1}$ for $\phi_{p}(u)$; and height for flat-like form background from $\phi_{\sigma,10}$ for $\phi_{\sigma}(u)$. * • Two symmetric infinitesimal narrow negative pillars at two end points from $\phi_{p,\delta 11}$ for $\phi_{p}(u)$ appear. * • Asymptotic-like form concave type corrections asymp proportional to $u(1-u)$ from $\phi_{11}$ and $\phi_{\sigma,11}$ to $\phi(u)$ and $\phi_{\sigma}(u)$ respectively. To compare with literature’s CZ-like form results, traditional double-hump structure of PDAs now for $\phi(u)$ is squeezed to two symmetric infinitesimal narrow pillars at two end points plus concave type asymptotic-like form above flat-like form background; for $\phi_{p}(u)$ is squeezed to two non-symmetric infinitesimal narrow pillars at two end points above a flat-like form background; for $\phi_{\sigma}(u)$ is changed to concave type asymptotic-like form above flat-like form background. We expect more complex non-asymptotic- like form corrections will show up in more higher order of our chiral perturbation expansion. If we further consider the normalization condition for $\phi(u)$, $\displaystyle\int_{0}^{1}du~{}\phi(u)=1\;.$ (46) then our results (31), (35) and (36) imply that $\displaystyle-4\langle\vec{p}|\Pi(0)|0\rangle(2\phi_{\delta 0}+2\phi_{\delta 1}+\phi_{0}+\phi_{10}+\frac{1}{6}\phi_{11})=1\;.$ (47) To obtain numerical results, we solve the SDE obtaining a quark self-energy as in Ref.WQ2002 with model A and $\Lambda_{\mathrm{QCD}}=440$MeV, $m_{\pi}=139.6$MeV and $m=\frac{m^{2}_{\pi}}{2B_{0}}=12.3$MeV, substitute the resulting quark self-energy into the above formulae for the coefficients, and finally perform the numerical computations. Considering that some momentum integrations are divergent, we take $\Lambda=1$GeV as the cutoff parameter in the Euclidean space momentum integration. Expressing all results in units of $m_{\pi}$, values for the coefficients are listed in Table.1 Table 1: The obtained coefficients in unit of $10^{-2}$. $\displaystyle\begin{array}[]{cccccccccccc}\hline\cr\hline\cr\displaystyle\frac{\phi_{\delta 0}}{m^{2}_{\pi}}&\displaystyle\frac{\phi_{\delta 1}}{m^{2}_{\pi}}&\displaystyle\frac{\phi_{0}}{m^{2}_{\pi}}&\displaystyle\frac{\phi_{10}}{m^{2}_{\pi}}&\displaystyle\frac{\phi_{11}}{m^{2}_{\pi}}&\displaystyle\frac{\phi_{p,\delta 0}}{m^{3}_{\pi}}&\displaystyle\frac{\phi_{p,\delta 10}}{m^{3}_{\pi}}&\displaystyle\frac{\phi_{p,\delta 11}}{m^{3}_{\pi}}&\displaystyle\frac{\phi_{p1}}{m^{3}_{\pi}}&\displaystyle\frac{\phi_{\sigma,0}}{m^{2}_{\pi}}&\displaystyle\frac{\phi_{\sigma,10}}{m^{2}_{\pi}}&\displaystyle\frac{\phi_{\sigma,11}}{m^{2}_{\pi}}\\\ \hline\cr 1.85&-0.15&10.13&0.98&-2.75&82.22&5.49&-0.16&0.86&8.13&-0.72&-0.17\\\ \hline\cr\hline\cr\end{array}$ (50) We see that the first-order corrections are orders of magnitude smaller than the leading order result. This verifies our conjecture that chiral perturbation will work well. To summarize, we have shown the GND model is a model which can correctly generate the minimal WT vertices. For PDAs, GND’s result is similar to that of the NJL-like models, i.e. in the chiral limit except some end point pillars, PDAs take flat-like forms and non-flat effects of PDAs are due to nonzero pion and light-quark current mass corrections. We have shown that the variable $u$ in PDAs is just the Feynman parameter of loop calculations of standard perturbation theory and chiral perturbation works well for PDAs enabling quantitative estimates of PDA values. These results are valid not only for the GND model, but also for the larger class of chiral quark and NJL-like models. Further, the leading order nonzero pion and current quark masses corrections lead concave type asymptotic-like form modifications for $\phi(u)$ with end- point pillars and $\phi_{\sigma}(u)$ above the flat-like form backgrounds as a substitution of original double-hump structure of CZ-like form of PDAs. To force matching our results with other phenomenological ones especially the end-point behaviors, one can take present GND model chiral limit result as a starting point, ignore present corrections from pion and current quark masses, perform the QCD Gegenbauer evolution for PDAs as done in Ref.flat . ## ACKNOWLEDGMENTS This work is supported by the National Science Foundation of China (NSFC) under Grants No.11075085, Specialized Research Fund Grants No.20110002110010 for the Doctoral Program of High Education of China, and Tsinghua University Initiative Scientific Research Program. ## References * (1) H.Yang, Q.Wang, Q.Lu, Phys. Lett. B532, 240(2002). * (2) H.Yang, Q.Wang, Y.P.Kuang and Q.Lu, Phys. Rev. D66, 014019(2002). * (3) S.Z.Jiang, Y.Zhang, C.Li, and Q.Wang, Phys. Rev. D81, 014001(2010). * (4) Y.L.Ma and Q.Wang, Phys. Lett. B560, 188(2003); S.Z.Jiang and Q.Wang, Phys. Rev. D81, 094937(2010); S.Z.Jiang, Y.Zhang, Q.Wang, arXiv:1203.0712v2[hep-ph]. * (5) J. Gasser and H. Leutwyler, Ann. Phys. 158, 142(1984); Nucl. Phys. B250, 465(1985). * (6) H. Pagels and S. Stokar, Phys. Rev. D20, 2947(1979). * (7) J.S.Ball and T.W.Chiu, Phys. Rev. D22, 2542(1980); D23, 3085(1981). * (8) M.R.Frank, K.L.Mitchell, C.D.Roberts, and P.C.Tandy, Phys. Lett. B359, 17(1995); A.E.Dorokhov, W.Broniowski, and E. Ruiz Arriola, Phys. Rev. D74, 054023(2006). * (9) B.Holdom, Phys. Rev. D45, 2534(1992). * (10) A.Kızıersü and M.R.Pennington, Phys. Rev. D79,125020(2009); A.Bashir, R.Bermudez, L.Chang and C.Roberts, Phys.Rev. C85, 045205(2012). * (11) B.Holdom, R.Lewis, Phys. Rev. D51, 6318(1995). * (12) G.P. Lepage and S.J. Brodsky, Phys. Rev. D22, 2157(1980). * (13) V.L.Chernyak and A.R.Zhitnitsky, Nucl. Phys. B201, 492(1982). * (14) E.R. Arriola and W. Broniowski, Phys. Rev. D66, 094016(2002). * (15) X.G.Wu, T.Huang, T.Zhong, Chin. Phys. C37, 063105(2013); X.G.Wu, T.Huang, Phys. Rev. D84, 074011(2011). * (16) P.Kotko and M.Praszalowicz, Phys. Rev. D81, 034019(2010). * (17) M.Praszalowicz and A.Rostworowski, D64, 074003(2001). * (18) D.Diakonov and V.Y.Petrov, Nucl. Phys. B245, 259(1984); B272, 457(1986); M.Praszalowicz and A.Rostworowski, Phys. Rev. D64, 074003(2001). * (19) P. Maris, Phys. Rev. D50, 4189(1994); V.Sauli, Few Body Syst. 39, 45(2006). * (20) M.Beneke, Th.Feldmann, Nucl.Phys. B592, 3(2001).
arxiv-papers
2013-04-14T07:05:39
2024-09-04T02:49:44.305396
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Chuan Li, Shao-Zhou Jiang, Qing Wang", "submitter": "Wang Qing", "url": "https://arxiv.org/abs/1304.3888" }
1304.3996
# Cyber-Physical Security: A Game Theory Model of Humans Interacting over Control Systems Scott Backhaus,1 Russell Bent,1 James Bono,2 Ritchie Lee,3 Brendan Tracey,4 David Wolpert,1 Dongping Xie,2 and Yildiray Yildiz3 The authors are with 1Los Alamos National Laboratory, 2www.bayesoptimal.com, 3NASA Ames, and 4Stanford University.Manuscript received XXXXX; revised XXXX. ###### Abstract Recent years have seen increased interest in the design and deployment of smart grid devices and control algorithms. Each of these smart communicating devices represents a potential access point for an intruder spurring research into intruder prevention and detection. However, no security measures are complete, and intruding attackers will compromise smart grid devices leading to the attacker and the system operator interacting via the grid and its control systems. The outcome of these machine-mediated human-human interactions will depend on the design of the physical and control systems mediating the interactions. If these outcomes can be predicted via simulation, they can be used as a tool for designing attack-resilient grids and control systems. However, accurate predictions require good models of not just the physical and control systems, but also of the human decision making. In this manuscript, we present an approach to develop such tools, i.e. models of the decisions of the cyber-physical intruder who is attacking the systems and the system operator who is defending it, and demonstrate its usefulness for design. ## I Introduction Supervisory Control and Data Acquisition (SCADA) systems form the cyber and communication components of electrical grids. Human operators use SCADA systems to receive data from and send control signals to grid devices to cause physical changes that benefit grid security and operation. If a SCADA system is compromised by a cyber attack, the attacker may alter these control signals with the intention of degrading operations or causing widespread damage to the physical infrastructure. The increasing connection of SCADA to other cyber systems and the use of off- the-shelf computer systems for SCADA platforms is creating new vulnerabilities[1] increasing the likelihood that SCADA systems can and will be penetrated. However, even when a human attacker has gained some control over the physical components, the human operators (defenders) retain significant SCADA observation and control capability. The operators may be able to anticipate the attacker’s moves and effectively use this remaining capability to counter the attacker’s moves. The design of the physical and control system may have a significant impact on the outcome of the SCADA operator’s defense, however, designing attack resilient systems requires predictive models of these human-in-the-loop control systems. These machine- mediated, adversarial interaction between two humans have been described in previous game-theoretic models of human-in-the-loop collision avoidance systems for aircraft[2] and our recent extensions of these models to electrical grid SCADA systems[3]. The current work builds upon and extends this previous work. The model of machine-mediated human-human interactions described in [2] includes two important components. The first is a mathematical framework for describing the physical state of the system and its evolution as well as the available information and its flow to both the humans and the automation. Well-suited to this task is a semi Bayes net[2] which, like a Bayes net, consists of: a set of nodes representing fixed conditional probability distributions over the physical state variables and the sets of information and directed edges describing the flow and transformation of information and the evolution of the physical state between the nodes. However, a semi Bayes net also includes “decision” nodes with unspecified conditional probability distributions that will be used to model the strategic thinking of the humans in the loop. When these decision nodes incorporate game-theoretic models, the resulting structure called a semi network-form game (SNFG) of human strategic behavior. Game theoretic models of the humans are fundamentally different than models of the automation and control algorithms. These simpler devices process inputs to generate outputs without regard for how their outputs affect other components, nor do they try to infer the outputs of other components before generating their own output. Strategic humans perform both of these operations. In adversarial interactions, a strategically thinking human infers the decisions of his opponent and incorporates this information into his own decision making. He also incorporates that his opponent is engaged in the same reasoning. These behaviors distinguish humans from automation making the principled design of human-in-the-loop control systems challenging. In our model, we will utilize game theoretic solution concepts to resolve the circular player-opponent inference problem just described and compute the conditional probability distributions at the decision nodes in a SNFG representation of a SCADA system under attack. A game theoretic model of a decision node includes two important components. The first is a utility or reward function that captures the goals of the human represented by the decision node and measures the relative benefit of different decisions. The second component is a solution concept that determines how the human goes about making decisions. As a model of human behavior, the solution concept must be selected to accurately represent the humans in question. For example, the humans may be modeled as fully rational, i.e. always selecting the action that maximizes their reward, or as bounded rational, sometimes taking actions that are less than optimal. Additionally, if the decisions that the humans are facing are too complex to afford exhaustive exploration of all options, the mathematical operations we use to represent the human’s mental approximations are also part of the solution concept. The current work builds upon previous game-theoretic models of human-in-the- loop aircraft collision avoidance systems[2] and our recent extension of these models to simplified electrical grid SCADA systems[3] where the focus was on developing the computational model for predicting the outcome of a SCADA attack where the SCADA operator was certain that an attacker was present. In the present work, we retain the simplified electrical grid model, but make several important extensions. First, we remove the SCADA operator’s certainty that an attacker is present forcing the operator to perform well under both normal and “attack” conditions. Second, we shift our focus from only predicting the outcome of an attack to an initial effort at using these predictions as a tool to design physical and control systems. Third, the extension to design requires numerical evaluation of many more scenarios, and we have implemented new computational algorithms that speed our simulations. To summarize, the designer models and simulates the behavior of the SCADA operator and the cyber-physical attacker by developing reward functions and solution concepts that closely represent the decision making processes of these humans. These game theoretic models are embedded into the decision nodes of a SNFG that represents the evolution of the physical state and information available to both human decision nodes and the automation nodes. If the model is accurate, then the designer can utilize this model to predict the outcomes of different system designs and, therefore, maximize his own “designer’s reward function”. This design process closely resembles the economic theory of mechanism design [4, 5], whereby an external policy-maker seeks to design a game with specific equilibrium properties. The key difference between our work and mechanism design is that we do not assume equilibrium behavior, and this enables us to use the standard control techniques described above[6, 7, 8, 9]. We also make contributions to the growing literature on game theory and network security [10, 11]. The assumption that human operators infer the existence of an attacker from the state of the SCADA places this model alongside work on intrusion detection systems [12, 13, 14, 15, 16]. However, we also model the human operator’s attempts to mitigate damages when an attack is detected. So our model contributes to the literature on intrusion response [17]. The rest of this paper is organized as follows. Section II describes the simplified electrical distribution circuit and the SCADA used to control it. Section III reviews the structure of SNFG and points out features and extensions important for the current work. Section IV describes the solution concept we apply to our SCADA model. Section V and VI describe the simulation results and our use of these results to assess design options, respectively. Section VII gives our conclusions and possible directions for future work. ## II Simplified Electrical Grid Model To keep the focus of this work on modeling the adversarial interaction between the defender and attacker, we retain the simplified model of an electrical grid used in previous work[3]. Specifically, we consider the three-node model of a radial distribution circuit shown schematically in Fig. 1. The circuit starts at the under-load tap changer (ULTC) on the low-voltage side of a substation transformer at node 1, serves an aggregation of loads at node 2, and connects a relatively large, individually-modeled distributed generator at node 3. In practice, most systems are considerably more detailed than this example. This example was chosen to limit the degrees of freedom to allow full enumeration of the parameter space and improve our understanding of the model’s salient features. However, it is important to note that the model is not limited computationally by the size of the power system, rather it is limited by the number of players and their possible observations and actions. Extensions to more complex settings is an open challenge for future research. Figure 1: The simplified distribution feeder line used in this study. Node 1 is at the substation where the SCADA enables control over $V_{1}$ via a tap changer. Node 2 represents a large aggregate real $p_{2}$ and reactive $q_{2}$ loads that fluctuate within a narrow range. Node three represents a distributed generator with real and reactive outputs $p_{3}$ and $q_{3}$. The assume the SCADA system enables control over $q_{3}$ to assist with voltage regulation along the circuit and that the attacker has taken control over $q_{3}$. The distribution circuit segments between the nodes have resistance $r_{i}$ and reactance $x_{i}$. The node injections $p_{i}$ and $q_{i}$ contribute to the circuit segment line flows $Q_{i}$ and $P_{i}$. In Fig. 1, $V_{i},p_{i},$ and $q_{i}$ are the voltage and real and reactive power injections at node $i$. $P_{i},Q_{i},r_{i},$ and $x_{i}$ are the real power flow, reactive power flow, resistance, and reactance of circuit segment $i$. For this simple setting, we use the LinDistFlow equations [18] $\displaystyle P_{2}=-p_{3},\;\;Q_{2}=-q_{3},\;\;P_{1}=P_{2}+p_{2},\;\;Q_{1}=Q_{2}+q_{2}$ (1) $\displaystyle V_{2}=V_{1}-(r_{1}P_{1}+x_{1}Q_{1}),\;\;V_{3}=V_{2}-(r_{2}P_{2}+x_{2}Q_{2}).$ (2) Here, all terms have been normalized by the nominal system voltage $V_{0}$, and we set $r_{i}=0.03$ and $x_{i}=0.03$. The attacker-defender game is modeled in discrete time with each simulation step representing one minute. To emulate the normal fluctuations of consumer real load, $p_{2}$ at each time step is drawn from a uniform distribution over the relatively narrow range $[p_{2,min},p_{2,max}]$ with $q_{2}=0.5p_{2}$. The real power injection $p_{3}$ is of the distributed generator at node 3 is fixed. Although fixed for any one instance of the game, $p_{2,max}$ and $p_{3}$ are our design parameters, and we vary these parameters to study how they affect the outcome of the attacker-defender game. In all scenarios, $p_{2,min}$ is set 0.05 below $p_{2,max}$ In our simplified game, the SCADA operator (defender) tries to, keep the voltages $V_{2}$ and $V_{3}$ within appropriate operating bounds (described in more detail below). Normally, the operator has two controls: the ULTC to adjust the voltage $V_{1}$ or the reactive power output $q_{3}$ of the distributed generator. We assume that the system has been compromised, and the attacker has control of $q_{3}$ while the defender retains control of $V_{1}$. Changes in $V_{1}$ comprise the defender decision node while control of $q_{3}$ comprise the attacker decision node. By controlling $q_{3}$, the attacker can modify the $Q_{i}$ and cause the voltage $V_{2}$ at the customer node to deviate significantly from $1.0\;p.u.$ – potentially leading to economic losses by damaging customer equipment or by disrupting computers or computer-based controllers belonging to commercial or industrial customers[19]. The attacker’s goals are modeled by the reward function $R_{A}=\Theta(V_{2}-(1+\epsilon))+\Theta((1-\epsilon)-V_{2}).$ (3) Here, $\epsilon$ represents the halfwidth of the acceptable range of normalized voltage. For most distribution systems under consideration, $\epsilon\sim 0.05$. $\Theta(\cdot)$ is a step function representing the need for the attacker to cross a voltage deviation threshold to cause damage. In contrast, the defender attempts to control both $V_{2}$ and $V_{3}$ to near $1.0\;p.u.$. The defender may also respond to relatively small voltage deviations that provide no benefit to the attacker. We express these defender goals through the reward function $R_{D}=-\left(\frac{V_{2}-1}{\epsilon}\right)^{2}-\left(\frac{V_{3}-1}{\epsilon}\right)^{2}.$ (4) ## III Time-Extended, Iterated Semi Net-Form Game To predict how system design choices affect the outcome of attacker-defender interactions, we need a description of when player decisions are made and how these decisions affect the system state, i.e. a “game” definition. Sophisticated attacker strategies may be carried out over many time steps (i.e. many sequential decisions), therefore we need to expand the SNFG description in the Introduction to allow for this possibility. Figure 2 shows three individual semi-Bayes networks representing three time steps of our time-extended attacker-defender interaction. Each semi-Bayes net has the structure of a distinct SNFG played out at time step $i$. These SNFGs are “glued” together to form an iterated SNFG by passing the system state $S^{i}$, the players’ moves/decisions $D_{D}^{i}$ and $D_{A}^{i}$, and the players’ memories $M_{D}^{i}$ and $M_{A}^{i}$ from the SNFG at time step $i$ to the SNFG at time step $i+1$. Iterated SNFGs are described in more detail in [3]. In the rest of this section, we describe the nodes in this iterated SNFG and their relationship to one another. Figure 2: The iterated semi net-form game (SNFG) used to model attackers and operators/defenders in a cyber-physical system. The iterated SNFG in the Figure consists of three individual SNFGs that are “glued” together at a subset of the nodes in the semi Bayes net that make up each SNFG. #### III-1 Attacker existence In contrast to our previous work, we add an ‘A exist” node in Fig. 2–the only node that is not repeated in each SNFG. This node contains a known probability distribution that outputs a $1$ (attacker exists) with probability $p$ and a $0$ (no attacker) with probability $1-p$. When the attacker is not present, his decision nodes ($D_{A}^{i}$) are disabled and $q_{3}$ is not changed. We vary $p$ to explore the effect of different attack probabilities. #### III-2 System state The nodes $S^{i}$ contain the true physical state of the cyber-physical system at the beginning of the time step $i$. We note that the defender’s memory $M_{D}^{i}$ and the attacker’s memory $M_{A}^{i}$ are explicitly held separate from the $S^{i}$ to indicate that they cannot observed by other player. #### III-3 Observation Spaces Extending from $S^{i}$ are two directed edges to defender and attacker observation nodes $O^{i}_{D}$ and $O^{i}_{A}$. The defender and attacker observation spaces, $\Omega_{D}$ and $\Omega_{A}$, respectively, are $\Omega_{D}=[V_{1},V_{2},V_{3},P_{1},Q_{1}],\;\;\Omega_{A}=[V_{2},V_{3},p_{3},q_{3}].$ (5) These observations are not complete (the players do not get full state information), they may be binned (indicating only the range of a variable, not the precise value), and they may be noisy. The content of $\Omega_{D}$ and $\Omega_{A}$ is an assumption about the capabilities of the players. Here, $\Omega_{D}$ provides a large amount of system visibility consistent with the defender being the SCADA operator. However, it does not include $p_{3}$ or $q_{3}$ as the distributed generator has been taken over by the attacker. In contrast, $\Omega_{A}$ mostly provides information about node 3 and also includes $V_{2}$ because a sophisticated attacker would be able to estimate $V_{2}$ from the other information in $\Omega_{A}$. Although we do not consider this possibility here, we note that the content of the $\Omega_{D}$ and to some extent the content of $\Omega_{A}$ are potential control system design variables that would affect the outcome of the attacker-defender interaction. For example, excluding $V_{3}$ from $\Omega_{D}$ will affect the decisions made by the defender, and therefore, the outcome of the interaction. #### III-4 Player Memories The content and evolution of player memories should be constructed based on application-specific domain knowledge or guided by human-based experiments. In this initial work, we assume a defender memory $M_{D}^{i}$ and attacker memory $M_{A}^{i}$ consisting of a few main components $M^{i}_{D}=[\Omega^{i}_{D},D^{i-1}_{D},\mathcal{M}^{i}_{D}];\;\;M^{i}_{A}=[\Omega^{i}_{A},D^{i-1}_{A},\mathcal{M}^{i}_{A}].$ (6) The inclusion of the player’s current observations $\Omega^{i}$ and previous move $D^{i-1}$ are indicated by directed edges in Fig. 2. The directed edge from $M^{i-1}$ to $M^{i}$ indicates the carrying forward and updating of a summary metric $\mathcal{M}^{i}$ that potentially provides a player with crucial additional, yet imperfect, system information that cannot be directly observed. Our defender uses $\mathcal{M}_{D}$ to estimate if an attacker is present. One mathematical construct that provides this is $\displaystyle\mathcal{M}^{i}_{D}$ $\displaystyle=$ $\displaystyle(1-1/n)\mathcal{M}^{i-1}_{D}$ (7) $\displaystyle+$ $\displaystyle\textrm{sign}(V^{i}_{1}-V^{i-1}_{1})\;\textrm{sign}(V^{i}_{3}-V^{i-1}_{3})$ The form of statistic in Eq. 7 is similar to the exponentially decaying memory proposed by Lehrer[20]. For attackers with small $q_{3}$ capability, even full range changes of $q_{3}$ will not greatly affect $V_{3}$, and the sign of changes in $V_{3}$ will be the same those of $V_{1}$. The second term on the RHS of Eq. 7 will always be +1, and $\mathcal{M}_{D}\rightarrow 1$. An attacker with large $q_{3}$ capability can drive changes in $V_{1}$ and $V_{3}$ of opposite sign. Several sequential time steps of with opposing voltage changes will cause $\mathcal{M}_{D}\rightarrow-1$. We note that if the defender does not change $V_{1}$, the contribution to $\mathcal{M}_{D}$ is zero, and the defender does not gain any information. The general form of the attacker’s memory statistic is similar to the defender’s, $\displaystyle\mathcal{M}^{i}_{A}$ $\displaystyle=$ $\displaystyle(1-1/n)\mathcal{M}^{i-1}_{A}$ (8) $\displaystyle+$ $\displaystyle\textrm{sign}\left(\textrm{floor}\left(\frac{\Delta V^{i}_{3}-\Delta q^{i}_{3}x_{2}/V_{0}}{\delta v}\right)\right),$ however the contributions to $\mathcal{M}_{A}$ are designed to track the defender’s changes to $V_{1}$. If the attacker changes $q_{3}$ by $\Delta q^{i}_{3}=q^{i}_{3}-q^{i-1}_{3}$, the attacker would expect a proportional change in $V_{3}$ by $\Delta V^{i}_{3}=V^{i}_{3}-V^{i-1}_{3}\sim\Delta q^{i}_{3}x_{2}/V_{0}$. If $V_{3}$ changes according to this reasoning, then the second term on the RHS of Eq. 8 is zero. If instead the defender simultaneously increases $V_{1}$ by $\delta v$, $\Delta V^{i}_{3}$ will increase by $\delta v$, and the second term on the RHS of Eq. 8 is then +1. A similar argument yields -1 if the defender decreases $V_{1}$ by $\delta v$. Equation 8 then approximately tracks the aggregate changes in $V_{1}$ over the previous $n$ time steps. #### III-5 Decision or Move space Here, we only describe the decision options available to the players. How decisions are made is discussed in the next Section. Typical hardware-imposed limits of a ULTC constrain the defender actions at time step $i$ to the following domain $D^{i}_{D}=\\{\min(v_{max},V^{i}_{1}+\delta v),V^{i}_{1},\max(v_{min},V^{i}_{1}-\delta v)\\}$ (9) where $\delta v$ is the voltage step size for the transformer, and $v_{min}$ and $v_{max}$ represent the absolute min and max voltage the transformer can produce. In simple terms, the defender may leave $V_{1}$ unchanged or move it up or down by $\delta v$ as long as $V_{1}$ stays within the range $[v_{min},v_{max}]$. We take $v_{min}=0.90$, $v_{max}=1.10$, and $\delta v=0.02$. We allow a single tap change per time step (of one minute) which is a reasonable approximation tap changer lockout following a tap change. Hardware limitations on the generator at node 3 constrain the attacker’s range of control of $q_{3}$. In reality, these limits can be complicated, however, we simplify the constraints by taking the attacker’s $q_{3}$ control domain to be $D^{i}_{A}=\\{-p_{3,max},\ldots,0,\ldots,p_{3,max}\\}.$ (10) In principle, the attacker could continuously adjust $q_{3}$ within this range. To reduce the complexity of our computations, we discretize the attacker’s move space to eleven equally-spaced settings with $-p_{3,max}$ and $+p_{3,max}$ as the end points. ## IV Solution Concepts Nodes other than $D^{i}_{D}$ and $D^{i}_{A}$ represent control algorithms, evolution of a physical system, a mechanistic memory model, or other conditional probability distributions that can be written down without reference to any of the other nodes in the semi-Bayes net of Fig. 2. Specifying nodes $D^{i}_{D}$ and $D^{i}_{A}$ requires a model of human decision making. In an iterated SNFG with $N$ time steps, our defender would $3^{N}$ possibilities, and maximizing his average reward ($\sum_{i=1}^{N}R_{D}^{i}/N$) quickly becomes computationally challenging for reasonably large $N$. However, a human would not consider all $3^{N}$ choices. Therefore, we seek a different solution concept that better represents human decision making, which is then necessarily tractable. ### IV-A Policies We consider a policy-based approach for players’ decisions, i.e. a mapping from a player’s memory to his action ($M^{i}_{D}\rightarrow D_{D}^{i}$). A single decision regarding what policy to use for the entire iterated SNFG greatly reduces the complexity making it independent of $N$. A policy does not dictate the action at each time step. Rather, the action at time step $i$ is determined by sampling from the policy based on the actual values of $M^{i}_{D}$ ($M^{i}_{A}$). We note that the reward garnered by a player’s single policy decision depends on the policy decisions of other player because the reward functions of both players depend on variables affect by the other player’s policy. Policies and the methods for finding optimal policies are discussed in greater detail in [3]. ### IV-B Solution Concept: Level-K Reasoning The coupling between the players’ policies again increases the complexity of computing the solution. However, the fully rational procedure of a player assessing his own reward based on all combinations of the two competing policies is not a good model of human decision making. We remove this coupling by invoking level-k reasoning as a solution concept. Starting at the lowest level-k, a level-1 defender policy is determined by finding the policy that maximizes the level-1 defender average reward when playing against a level-0 attacker. Similarly, the level-1 attacker policy is determined by optimizing against a level-0 defender policy. The higher k-level policies are determined by optimization with regard to the the k-1 policies. We note that the level-0 policies cannot be determined in this manner. They are simply assumptions about the non-strategic policy behavior of the attacker and defender that are inputs to this iterative process. From the perspective of a level-k player, the decision node of his level k-1 opponent is now simply a predetermined conditional probability distribution making it no different than any other node in the iterated SNFG, i.e. simply part of his environment. The level-k player only needs to compute his best- response policy against this fixed level k-1 opponent/environment. The selection of the levek-k policy is now a single-agent reinforcement learning problem. Level-k reasoning as a solution concept is discussed in more detail in [3]. ### IV-C Reinforcement Learning Many standard reinforcement learning techniques can be used to solve the optimization problem discussed above [21, 22, 23]. In our previous work[3], the attacker and defender optimization problems were both modeled as Markov Decision Processes (MDP), even though neither player could observe the entire state of the grid. The additional uncertainty related to attacker existence casts doubt on this approach. Instead, we employ a reinforcement learning algorithm based on [24] which has convergence guarantees for Partially Observable MDPs (POMDP). This approach has two distinct steps. First is the policy evaluation step, where the Q-values for the current policy are estimated using Monte Carlo. Second, the policy is updated by placing greater weight on actions with higher estimated Q-values. The two steps are iterated until the policy converges to a fixed point indicating a local maximum has been found. The details of the algorithm can be found in [24]. ## V Simulation Results Due to space limitations and our desire to explore the design aspects of our models, we only consider results for a level-1 defender matched against a level-0 attacker. We retain the level-0 attacker policy that we have used in our previous work[3]. Although he is only level-0, this level-0 attacker is modeled as being knowledgeable about power systems and is sophisticated in his attack policy. ### V-A Level-0 Attacker The level-0 attacker drifts one step at at time to larger $q_{3}$ if $V_{2}<1$ and smaller $q_{3}$ if $V_{2}>1$. The choice of $V_{2}$ to decide the direction of the drift is somewhat arbitrary, however, this is simply assumed level-0 attacker behavior. The drift in $q_{3}$ causes a drift in $Q_{1}$ and, without any compensating move by the defender, a drift in $V_{2}$. A level-1 defender that is unaware of the attacker’s presence would compensate by adjusting $V_{1}$ in the opposite sense as $V_{2}$ in order to keep the average of $V_{2}$ and $V_{3}$ close to 1.0. The level-0 attacker continues this slow drift forcing the unaware level-1 defender to ratchet $V_{1}$ near to $v_{min}$ or $v_{max}$. At some point, based on his knowledge of the power flow equations and the physical circuit, the level-0 attacker determines it is time to “strike”, i.e. a sudden large change of $q_{3}$ in the opposite direction to the drift would push $V_{2}$ outside the range $[1-\varepsilon,1+\epsilon]$. If the deviation of $V_{2}$ is large, it will take the defender a number of time steps to bring $V_{2}$ back in range, and the attacker accumulates reward during this recovery time. More formally, this level-0 attacker policy can be expressed as Level0Attacker$()$ 1 $\ignorespaces V^{*}=\max_{q\in D_{A,t}}|V_{2}-1|;$ 2 if $V^{*}>\theta_{A}$ 3 then $\mbox{\bf return\ }\arg\max_{q\in D_{A,t}}|V_{2}-1|;$ 4 if $V_{2}<1$ 5 then $\mbox{\bf return\ }q_{3,t-1}+1;$ 6 $\ignorespaces\mbox{\bf return\ }q_{3,t-1}-1;$ Here, $\theta_{A}$ is a threshold parameter that triggers the strike. Throughout this work, we have used $\theta_{A}=0.07>\epsilon$ to indicate when an attacker strike will accumulate reward. ### V-B Level-1 Defender–Level-0 Attacker Dynamics We demonstrate our entire modeling and simulation process on two cases. In the first case, a level-1 defender optimizes his policy against a level-0 attacker that is present 50% of the time, i.e. $p=0.50$ in the node “A exist” in Fig. 2. In the second case, the level-1 defender optimizes his policy against a “normal” system, i.e. $p=0.0$ in “A exist”. The behavior of these two level-1 defenders is shown in Fig. 3 where we temporarily depart from the description of our model. In the first half of these simulations, the level-0 attacker does not exist, i.e. $p=0.0$, and there are no significant differences between the two level-1 defenders. At time step 50, a level-0 attacker is introduced with $p=1.0$. The level-1 defender optimized for $p=0.0$ suffers from the “drift-and-strike” attacks as described above. In contrast, the level-1 defender with a policy optimized at $p=0.50$ has learned not to follow these slow drifts and maintains a more or less steady $V_{1}$ even after time step 50. Although $V_{3}$ is out of acceptable bounds for some periods, these are much shorter than before and $V_{2}$ is never out of bounds. Figure 3: Typical time evolution of $V_{1}$ (blue), $V_{2}$ (red), and $V_{3}$ (green) for a level-1 defender facing a level-0 attacker. In the left plot, the level-1 defender’s policy was optimized for $p=0.0$ in “A exist”, i.e. no level-0 attacker was ever present. In the right plot, the level-1 defender’s policy was optimized with $p=0.50$. At the start of the simulation, no attacker is present. The attacker enters the simulation at time step 50. In these simulations, $p_{2,max}=1.4$, $p_{2,min}=1.35$ and $p_{3,max}=1.0$. ### V-C Policy Dependence on $p$ During Defender Training Next, we present a few preliminary studies that prepare our model for studying circuit design tradeoffs. Although policy optimization (i.e. training) and policy evaluation seem closely related, we carry these out as two distinct processes. During training, all of the parameters of the system are fixed, especially the probability of the attacker presence $p$ and the circuit parameters $p_{2,max}$ and $p_{3,max}$. Many training runs are carried out and the policy is evolved until the reward per time step generated by the policy converges to a fixed point. The converged policy can then be evaluated against the conditions for which is was trained, and in addition, it can be evaluated for different but related conditions. For example, we can train with one probability of attacker existence $p$, but evaluate the policy against a different value of $p^{\prime}$. Next, we carry out just such a study to determine if a single value of $p$ can used in all of our subsequent level-1 defender training. If using a single training $p$ can be justified, it will greatly reduce the parameter space to explore during subsequent design studies. We consider seven values of $p$ logarithmically spaced from 0.01 to 1.0. A set of seven level-1 defenders, one for each $p$, is created by optimizing their individual policies against a level-0 attacker who is present with probability $p$. Each of these defenders is then simulated seven times, i.e. against the same level-0 attacker using the same range of $p$ as in the training. In these simulations, $p_{2,max}=1.4$ and $p_{3,max}=1.0$. During the simulation stage, the average defender reward per time step is computed and normalized by the value of $p$ during the simulation stage, i.e. $\sum_{i=1}^{N}R_{D}^{i}/Np$, creating a measure of level-1 defender performance per time step that the level-0 attacker is actually present. The results are shown in Fig. 4. For an achievable number of Monte Carlo samples and for low values of $p$ during policy optimization (i.e. training), there will be many system states $S$ that are visited infrequently or not at all, particularly those states where the attacker is present. The reinforcement learning algorithm will provide poor estimates of the Q values for these states, and the results of the policy optimization should not be trusted. For these infrequently visited states, we replace the state-action policy mapping with the mapping given by the level-0 defender policy used in our previous work[3]. Even with this replacement, the level-1 defenders trained with $p<0.10$ perform quite poorly. For $p\geq 0.20$, it appears that enough states are visited frequently enough such that level-1 defender performance improves. For the remainder of the studies in this manuscript, we use $p=0.20$ for all of our level-1 defender training. Figure 4: Level-1 defender reward per time step of level-0 attacker presence during simulation ($\sum_{i=1}^{N}R_{D}^{i}/Np$ ) versus the probability of attacker presence during training. The curves representing different levels of attacker presence during simulation all show the same general dependence, i.e. a relatively flat plateau in normalized level-1 defender reward for $p\geq 0.20$ due to the more complete sampling of the states $S$ during training (i.e. policy optimization). This common feature leads us to select $p=0.20$ for training for all the subsequent work in the manuscript. ## VI Design Procedure and Social Welfare Significant deviations of $V_{2}$ or $V_{3}$ from 1.0 p.u. can cause economic loss either from equipment damage or lost productivity due to disturbances to computers or computer-based industrial controllers[19]. The likelihood of such voltage deviations is increased because possibility of attacks on the distributed generator at node 3. However, this generator also provides a social benefit through the value of the energy it contributes to the grid. The larger the generator (larger $p_{3,max}$) the more energy it contributes and the higher this contribution to the social welfare. However, when compromised, a larger generator increases the likelihood of large voltage deviations and significant economic loss. To balance the value of the energy against the lost productivity, we assess both in terms of dollars. The social welfare of the energy is relatively easy to estimate because the value of electrical energy, although variable in both time and grid location, can be assigned a relatively accurate average value. Here the value of electrical energy is approximated by a flat-rate consumer price. In heavily regulated markets, the price of electricity can be distorted, and this approach may be a bad approximation of the true value of the energy. So while price is a reasonable approximation of value for the purposes of this model, in practice it may be necessary to adjust for market distortions on a case-by-case basis. In our work, the generator at node 3 is installed in a distribution system where we estimate the energy value at $C_{E}=$$80/MW-hr. As with estimating the value of energy, estimating the social cost of poor power quality is also a prerequisite to the power grid design procedure. In contrast to the value of energy, there is no obvious proxy for this cost making it difficult to estimate. Studies[19] have concluded that the cost is typically dominated by a few highly sensitive customers, making this cost also dependent on grid location and time – the location of the highly sensitive customers and their periods operation drive this variability. The average cost of a power quality event has been estimated[19] at roughly $C_{PQ}=$$300/sensitive customer/per power quality event. Note that social welfare, including estimates of the value of energy and the social cost of poor power quality, determines the optimality of the power grid design and should be carefully chosen for each application. We now describe a series of numerical simulations and analyses that enable us to find the social welfare break even conditions for the generator at node 3. ### VI-A Level-1 Defender Performance Versus ($p_{2,max}$,$p_{3,max}$) Because the output of the node “A exist” in the iterated SNFG in Fig. 2 fixes the probability of the presence of an attacker for the rest of the $N$ steps in the simulation, the results from each simulation of the iterated SNFG are statistically independent. Therefore, if we know the level-1 defender’s average reward when he is under attack 100% of the time ($p=1$) and 0% of the time ($p=0$), we can compute his average reward for any intermediate value of $p$. Taking this into account, we proceed as follows. Using the guidance from the results in Fig. 4, we train level-1 defenders against level-0 attackers (using $p=0.2$) for an array of ($p_{2,max}$,$p_{3,max}$) conditions. Next, we simulate these level-1 defenders with $p=1$ and $p=0$ so that we can compute their average reward for any $p$. The results for all ($p_{2,max}$,$p_{3,max}$) conditions for $p=0.01$ are shown in Fig. 5. The results show two important thresholds, i.e. the level-1 defenders’ average reward falls off quickly when $p_{3,max}>1.5$ or when $p_{2,max}>1.9$. In the rest of this analysis, we will focus on the region $p_{3,max}<1.5$ before the large decrease in the defender’s average reward ### VI-B Level-1 Defender $p_{3,max}$ Sensitivity Using the energy and power quality cost estimates from above, the results in Fig. 5 could be turned into surface plots of social welfare. However, the number of design parameters that could be varied would generate a multi- dimensional set of such surface plots making the results difficult to interpret. Instead, we seek to reduce this dimensionality and generate results that provide more design intuition. We first note that the level-1 defenders’ reward falls approximately linearly with $p_{3,max}$ for $p_{3,max}<1.5$. The slope of these curves is the sensitivity of the level-1 defenders’ average reward to $p_{3,max}$, and we extract and plot these sensitivities versus $p_{2,max}$ in Fig. 6. To further analyze the results in Fig. 6, we must relate the defender’s average reward to power quality events, which can then be converted into a social welfare cost using $C_{PQ}$. Equation 4 expresses the defender’s reward $R_{D}$ as a sum of two smooth functions (one function of $V_{2}$ and another of $V_{3}$). These individual contributions are equal to $1$ when $V_{2}$ or $V_{3}$ are equal to either $1+\epsilon$ or $1-\epsilon$. Although these deviations are not severe, we consider such deviations to constitute a power quality event, and we estimate its social welfare cost by as $R_{D}C_{PQ}$. $R_{D}$ increases (decreases) quadratically for larger (smaller) voltage deviations, and our definition of the social welfare cost captures that these larger (smaller) deviations result in higher (lower) social welfare costs. Using $C_{PQ}=$$300/sensitive customer/per power quality event estimated in [19], our simulation time step of one minute, and assuming there is one sensitive customer on our circuit, the slopes of $\sim$0.006/(MW of $p_{3,max}$) in Fig. 6 corresponds to a social welfare cost of $108/(MW of $p_{3,max})$/hr. At this value of $C_{PG}$, the social value provided by the energy at $80/MW-hr is outweighed by the social welfare cost caused by the reduction in power quality. Figure 5: The level-1 defender’s average reward per simulation time step as a function of $p_{3,max}$ for a 1% probability of an attack on node 3. Each curve represents a different value of $p_{2,max}$ in the range $[0.2...2.5]$. Slightly modifying the analysis just described, we can now find the energy/power-quality break even points for the social welfare of the generator at node 3, i.e. the cost of a power quality event that reduces the social welfare provided by the energy to a net of zero. The break-even power quality cost is plotted versus $p_{2,max}$ in Fig. 7. Points of $C_{PQ}$ and $p_{2,max}$ that fall to the lower left of the curve contribute positive social welfare while those to the upper right contribute negative social welfare. When applied to more realistic power system models, analysis such as shown in Fig. 7 can be used to make decisions about whether new distributed generation should be placed on a particular part of a distribution grid. Figure 6: The slope of the data in Fig. 5 for $p_{3,max}\leq 1.5$. The slope measures how quickly the level-1 defender’s reward decreases with $p_{3,max}$ for different values of $p_{2,max}$. Consistent with Fig. 5, the slope is roughly constant for $p_{2,max}<1.9$ and then rapidly becomes more negative as $p_{2,max}$ increases beyond 1.9. The rapid decrease demonstrates the level-1 defender is much more susceptable to the level-0 attacker when $p_{2,max}>1.9$. Figure 7: The cost of a power quality event that yields a zero social welfare contribution from the distributed generator at node 3 (i.e. the generator’s break even point) versus $p_{2,max}$. To compute the break even cost of power quality events, we have assumed: the generator is under attack by a level-0 attacker 1% of the time and the value of the energy from the generator at node 3 is $80/MW-hr. ## VII Conclusion We have described a novel time-extended, game theoretic model of humans interacting with one another via a cyber-physical system, i.e. an interaction between a cyber intruder and an operator of an electrical grid SCADA system. The model is used to estimate the outcome of this adversarial interaction, and subsequent analysis is used to estimate the social welfare of these outcomes. The modeled interaction has several interesting features. First, the interaction is asymmetric because the SCADA operator is never completely certain of the presence of the attacker, but instead uses a simple statistical representation of memory to attempt to infer the attacker’s existence. Second, the interaction is mediated by a significant amount of automation, and using the results of our model or related models, this automation can be (re)designed to improve the social welfare of these outcomes. The models in this manuscript can be extended and improved in many ways. Perhaps the most important of these would be extending the model to incorporate larger, more realistic grids, such as transmission grids, where the meshed nature of the physical system would result in more complex impacts from an attack. In contrast to the setting described here, such complex grids would have multiple points where a cyber intruder could launch an attack, and models of the defender, his reward function, and his memory would be equally more complex. As discussed earlier, one challenge with our approach is computational. The size of the physical system itself does not overly increase the computational requirements (beyond what is normally seen in solving power flow equations in large-scale systems). However, the number of players and observations does increase the computational requirements exponentially. This is a major focus of our current work. In particular, we note that the number of observations (monitors) that a real human can pay attention to is very limited. One approach we are investigating for how to overcome the exponential explosion is to incorporate this aspect of real human limitations into our model The challenge here will be developing models of how a human chooses which observations to make to guide their decisions. ## References * [1] A. A. Cárdenas, S. Amin, and S. Sastry, “Research challenges for the security of control systems,” in _Proceedings of the 3rd conference on Hot topics in security_. Berkeley, CA, USA: USENIX Association, 2008, pp. 6:1–6:6. [Online]. 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Başar, _Network Security: A Decision and Game Theoretic Approach_. Cambridge University Press, January 2011. * [12] Q. Zhu, C. Fung, R. Boutaba, and T. Başar, “Guidax: A game-theoretic incentive-based mechanism for intrusion detection networks,” _IEEE J. on Selected Areas in Communications (JSAC) Special Issue: Economics of Communication Networks & Systems (SI-NetEcon)_, 2012. * [13] P. Liu, W. Zang, and M. Yu, “Incentive-based modeling and inference of attacker intent, objectives, and strategies,” _ACM Transactions on Information System and Security 8_ , vol. 1, pp. 78–118, 2005. * [14] Y. Liu, C. Comaniciu, and H. Man, “A bayesian game approach for intrusion detection in wireless ad hoc networks,” in _Proceedings of Workshop on Game Theory for Communications and Networks (GameNets)_ , 2006. * [15] K. Lye and J. M. Wing, “Game strategies in network security,” in _Proceedings of IEEE Computer Security Foundations Workshop (CSFW)_ , 2002\. * [16] K. C. Nguyen, T. Alpcan, and T. Başar, “Stochastic games for security in networks with interdependent nodes,” in _Proceedings of the IEEE International Conference on Game Theory for Networks (GameNets)_ , 2009. * [17] S. A. Zonouz, H. Khurana, W. H. Sanders, and T. M. Yardley, “Rre: A game-theoretic intrusion response and recovery engine,” in _Proceedings of IEEE International Conference on Dependable Systems and Networks (DSN)_ , 2009\. * [18] M. Baran and F. Wu, “Optimal sizing of capacitors placed on a radial distribution system,” _Power Delivery, IEEE Transactions on_ , vol. 4, no. 1, pp. 735–743, Jan 1989. * [19] K. H. LaCommare and J. H. Eto, “Understanding the cost of power interruptions to u.s. electricity consumers,” LBNL-55718, Tech. Rep., 2004. [Online]. Available: http://eetd.lbl.gov/ea/EMP/EMP-pubs.html * [20] E. Lehrer, “Repeated games with stationary bounded recall strategies,” _Journal of Economic Theory_ , vol. 46, no. 1, pp. 130–144, October 1988\. [Online]. Available: http://ideas.repec.org/a/eee/jetheo/v46y1988i1p130-144.html * [21] L. Busoniu, R. Babuska, B. De Schutter, and E. Damien, _Reinforcement Learning and Dynamic Programming Using Function Approximators_ , editor, Ed. CRC Press, 2010. * [22] L. Kaelbling, M. Littman, and A. Moore, “Reinforcement learning: A survey,” _Journal of Artificial Intelligence Research_ , 1996. * [23] R. S. Sutton and A. G. Barto, _Reinforcement Learning: An Introduction_ , editor, Ed. MIT Press, 1998. * [24] T. Jaakkola, S. P. Singh, and M. I. Jordan, “Reinforcement learning algorithm for partially observable markov decision problems,” in _Advances in Neural Information Processing Systems 7_. MIT Press, 1995, pp. 345–352.
arxiv-papers
2013-04-15T06:27:17
2024-09-04T02:49:44.316291
{ "license": "Public Domain", "authors": "Scott Backhaus, Russell Bent, James Bono, Ritchie Lee, Brendan Tracey,\n David Wolpert, Dongping Xie, and Yildiray Yildiz", "submitter": "Ritchie Lee", "url": "https://arxiv.org/abs/1304.3996" }
1304.4073
# Simultaneous approximation for scheduling problems Long Wan [email protected]. Department of Mathematics, Zhejiang University, Hangzhou, 310027, China. ###### Abstract Motivated by the problem to approximate all feasible schedules by one schedule in a given scheduling environment, we introduce in this paper the concepts of strong simultaneous approximation ratio (SAR) and weak simultaneous approximation ratio (WAR). Then we study the two parameters under various scheduling environments, such as, non-preemptive, preemptive or fractional scheduling on identical, related or unrelated machines. Keywords. scheduling; simultaneous approximation ratio; global fairness ## 1 Introduction In the scheduling research, people always hope to find a schedule which achieves the balance of the loads of the machines well. To the end, some objective functions, such as minimizing makespan and maximizing machine cover, are designed to find a reasonable schedule. Representative publications can be found in Graham (1966), Graham (1969), Deuermeyer et al. (1982), and Csirik et al. (1992) among many others. But these objectives don’t reveal the global fairness for the loads of all machines. Motivated by the problem to approximate all feasible schedules by one schedule in a given scheduling environment and so realizing the global fairness, we present two new parameters: strong simultaneous approximation ratio (SAR) and weak simultaneous approximation ratio (WAR). Our research is also enlightened from the research on global approximation of vector sets. Related work can be found in Bhargava et al. (2001), Goel et al. (2001), Goel et al. (2005), Kleinberg et al. (2001) and Kumar and Kleinberg (2006). Kleinberg et al. (2001) proposed the notion of the coordinate-wise approximation for the fair vectors of allocations. Based on this notion, Kumar and Kleinberg (2006) introduced the definitions of the global approximation ratio and the global approximation ratio under prefix sums. For a given instance $\mathcal{I}$ of a minimization problem, we use $V(\mathcal{I})$ to denote the set of vectors induced by all feasible solutions of $\mathcal{I}$. For a vector $X=(X_{1},X_{2},\cdots,X_{m})\in V(\mathcal{I})$, we use $\overleftarrow{X}$ to denote the vector in which the coordinates (components) of $X$ are sorted in non-increasing order, that is, $\overleftarrow{X}=(X^{\prime}_{1},X^{\prime}_{2},\cdots,X^{\prime}_{m})$ is a resorting of $(X_{1},X_{2},\cdots,X_{m})$ so that $X^{\prime}_{1}\geq X^{\prime}_{2}\geq\cdots\geq X^{\prime}_{m}$. For two vectors $X,Y\in V(\mathcal{I})$, we write $X\preceq_{c}Y$ if $X_{i}\preceq Y_{i}$ for all $i$. The global approximation ratio of a vector $X\in V(\mathcal{I})$, denoted by $c(X)$, is defined to be the infimum of $\alpha$ such that $\overleftarrow{X}\preceq_{c}\alpha\overleftarrow{Y}$ for all $Y\in V(\mathcal{I})$. Then the best global approximation ratio of instance $\mathcal{I}$ is defined to be $c^{*}(\mathcal{I})=\inf_{X\in V(\mathcal{I})}c(X)$. For a vector $X\in V(\mathcal{I})$, we use $\sigma(X)$ to denote the vector in which the $i$-th coordinate is equal to the sum of the first $i$ coordinates of $X$. We write $X\preceq_{s}Y$ if $\sigma(\overleftarrow{X})\preceq_{c}\sigma(\overleftarrow{Y})$. The global approximation ratio under prefix sums of a vector $X\in V(\mathcal{I})$, denoted by $s(X)$, is defined to be the infimum of $\alpha$ such that $X\preceq_{s}\alpha Y$ for all $Y\in V(\mathcal{I})$. Then the best global approximation ratio under prefix sums of instance $\mathcal{I}$ is defined to be $s^{*}(\mathcal{I})=\inf_{X\in V(\mathcal{I})}s(X)$. In the terms of scheduling, the above concepts about the global approximation of vector sets can be naturally formulated as the simultaneous approximation of scheduling problems. Let $\mathcal{I}$ be an instance of a scheduling problem ${\cal P}$ on $m$ machines $M_{1},M_{2},\cdots,M_{m}$, and let ${\cal S}$ be the set of all feasible schedules of $\mathcal{I}$. For a feasible schedule $S\in{\cal S}$, the _load_ $L^{S}_{i}$ of machine $M_{i}$ is defined to be the time by which the machine finishes all the process of the jobs and the parts of the jobs assigned to it. The $L(S)=(L^{S}_{1},L^{S}_{2},\cdots,L^{S}_{m})$ is called the _load vector_ of machines under $S$. Then $V(\mathcal{I})$ is defined to be the set of all load vectors of instance $\mathcal{I}$. We write $c(S)=c(L(S))$ and $s(S)=s(L(S))$ for each $S\in{\cal S}$. Then $c^{*}(\mathcal{I})=\inf_{S\in{\cal S}}c(S)$ and $s^{*}(\mathcal{I})=\inf_{S\in{\cal S}}s(S)$. The _strong simultaneous approximation ratio_ of problem ${\cal P}$ is defined to be $SAR({\cal P})=\sup_{\mathcal{I}}c^{*}(\mathcal{I})$, and the _weak simultaneous approximation ratio_ of problem ${\cal P}$ is defined to be $WAR({\cal P})=\sup_{\mathcal{I}}s^{*}(\mathcal{I})$. A scheduling problem is usually characterized by the machine type and the job processing mode. In this paper, the machine types under consideration are identical machines, related machines and unrelated machines, and the job processing modes under consideration are non-preemptive, preemptive and fractional. Let $\mathcal{J}=\\{J_{1},J_{2},\cdots,J_{n}\\}$ and $\mathcal{M}=\\{M_{1},M_{2},\cdots,M_{m}\\}$ be the set of jobs and the set of machines, respectively. The processing time of $J_{j}$ on $M_{i}$ is $p_{ij}$. If $p_{ij}=p_{kj}$ for $i\neq k$, the machine type is _identical machines_. In this case $p_{j}$ is used to denote the processing time of $J_{j}$. If $p_{ij}=\frac{p_{j}}{s_{i}}$ for all $i$, the machine type is _related machines_. In this case, $p_{j}$ is called the standard processing time of $J_{j}$ and $s_{i}$ is called the processing speed of $M_{i}$. If there is no restriction for $p_{ij}$, the machine type is _unrelated machines_. If each job must be non-preemptively processed on some machine, the processing mode is _non-preemptive_. If each job can be processed preemptively and can be processed on at most one machine at any time, the processing mode is _preemptive_. If each job can be partitioned into different parts which can be processed on different machines concurrently, the processing mode is _fractional_. Each machine can process at most one job at any time under any processing mode. Since we cannot avoid the worst schedule in which all jobs are processed on a common machine, it can be easily verified that, under each processing mode, $SAR({\cal P})=m$ for identical machines, $SAR({\cal P})=(s_{1}+s_{2}+\cdots+s_{m})/s_{1}$ for related machines with speeds $s_{1}\geq s_{2}\geq\cdots\geq s_{m}$, and $SAR({\cal P})=+\infty$ for unrelated machines. We then concentrate our research on the weak simultaneous approximation ratio $WAR({\cal P})$ of the scheduling problems defined above. The main results are demonstrated in table 1. | identical machines | related machines | unrelated machines ---|---|---|--- non-preemptive processing | $1<{WAR}\leq\frac{3}{2}$ | $\frac{\sqrt{m}+1}{2}\leq{WAR}\leq\sqrt{m}$ | $\frac{\sqrt{m}+1}{2}\leq{WAR}\leq\sqrt{m}$ preemptive processing | $1$ | $\frac{\sqrt{m}+1}{2}\leq{WAR}\leq\sqrt{m}$ | $\frac{\sqrt{m}+1}{2}\leq{WAR}\leq\sqrt{m}$ fractional processing | $1$ | $\frac{\sqrt{m}+1}{2}$ | $\frac{\sqrt{m}+1}{2}\leq{WAR}\leq\sqrt{m}$ Table 1: The weak simultaneous approximation ratio of various scheduling problems For convenience, we use $P$, $Q$ and $R$ to represent identical machines, related machines and unrelated machines, respectively, and use $NP$, $PP$ and $FP$ to represent non-preemptive, preemptive and fractional processing, respectively. Then the notation $Pm(NP)$ represents the scheduling problem on $m$ identical machines under non-preemptive processing mode. Other notations for scheduling problems can be similarly understood. This paper is organizes as follows. In Section 2, we study the weak simultaneous approximation ratio for scheduling on identical machines. In Section 3, we study the weak simultaneous approximation ratio for scheduling on related machines. In Section 4, we study the weak simultaneous approximation ratio for scheduling on unrelated machines. ## 2 Identical machines For problem $P2(NP)$, we have $s(S)=1$ for every schedule $S$ which minimizes the makespan. So $WAR(P2(NP))=1$. For problem $Pm(NP)$ with $m\geq 3$, the following instance shows that $WAR(Pm(NP))>1$. In the instance, there are $m$ jobs with processing time $m-1$, $(m-1)(m-2)$ jobs with processing time $m$ and a big job with processing time $(m-1)^{2}+r_{m}$, where $r_{m}=\frac{\sqrt{(m^{3}-m^{2}-m-2)^{2}+4m(m-1)(m-2)}-(m^{3}-m^{2}-m-2)}{2}$. It can be verified that $0<r_{m}<m-2$. Let $S$ be the schedule in which the $m$ jobs with processing time $m-1$ are scheduled on one machine, the big job with with processing time $(m-1)^{2}+r_{m}$ is scheduled on one machine, and the remaining $(m-1)(m-2)$ jobs with processing time $m$ are scheduled on the remaining $m-2$ machines averagely. Let $T$ be the schedule in which the big job is scheduled on one machine together with a job of processing time $m-1$, and each of the remaining machines has a job of processing time $m-1$ and $m-2$ jobs of processing time $m$. Then the makespan of schedule $S$ is $m(m-1)$ and the $(m-1)$-th prefix sum of $\overleftarrow{L(T)}$ is $m(m-1)^{2}-(m-2-r_{m})$. Now consider an arbitrary schedule $\varrho$. If the big job is scheduled on one machine solely, then the $(m-1)$-th prefix sum of $\overleftarrow{L(R)}$ is at least $m(m-1)^{2}$. Thus, by considering the $(m-1)$-th prefix sums of $\overleftarrow{L(T)}$ and $\overleftarrow{L(R)}$, we have $s(R)\geq\frac{m(m-1)^{2}}{m(m-1)^{2}-(m-2-r_{m})}=1+\frac{r_{m}}{m(m-1)}$. If the big job is scheduled on one machine together with at least one other job, then the makespan of schedule $R$ is at least $(m-1)+(m-1)^{2}+r_{m}$. Thus, by considering the makespans of $S$ and $R$, we have $s(R)\geq 1+\frac{r_{m}}{m(m-1)}$. It follows that $WAR(Pm(NP))\geq 1+\frac{r_{m}}{m(m-1)}>1$ for $m\geq 3$. To establish the upper of $WAR(Pm(NP))$, we first present a simple but useful lemma. ###### Lemma 1 Let $X,Y$ be two vectors of $n$-dimension and let $X^{\prime},Y^{\prime}$ be two vectors of two-dimension. If $X\preceq_{s}Y$ and $X^{\prime}\preceq_{s}Y^{\prime}$, then $(X,X^{\prime})\preceq_{s}(Y,Y^{\prime})$. * Proof. Suppose that $X^{\prime}=(x_{1},x_{2})$ and $Y^{\prime}=(y_{1},y_{2})$. Without loss of generality, we may further assume that $x_{1}\geq x_{2}$ and $y_{1}\geq y_{2}$. Then $x_{1}\leq y_{1}$ and $x_{1}+x_{2}\leq y_{1}+y_{2}$. Let $Z_{x}=(X,X^{\prime})$ and $Z_{y}=(Y,Y^{\prime})$. For $Z\in\\{Z_{x},Z_{y}\\}$, we use $(\overleftarrow{Z})_{k}$ to denote the $k$-th coordinate of $\overleftarrow{Z}$, and use $|\overleftarrow{Z}|_{k}$ to denote the sum of the first $k$ coordinates of $\overleftarrow{Z}$ for $1\leq k\leq n+2$. Similar notations are also used for $X$ and $Y$. Given an index $k$ with $1\leq k\leq n+2$, we use $\delta(k,X^{\prime})$ to denote the number of elements in $\\{x_{1},x_{2}\\}$ included in the first $k$ coordinates of $\overleftarrow{Z_{x}}$, and $\delta(k,Y^{\prime})$ the number of elements in $\\{y_{1},y_{2}\\}$ included in the first $k$ coordinates of $\overleftarrow{Z_{y}}$. Then $0\leq\delta(k,X^{\prime}),\delta(k,Y^{\prime})\leq 2$. If $\delta(k,X^{\prime})=\delta(k,Y^{\prime})$, then we clearly have $|\overleftarrow{Z_{x}}|_{k}\leq|\overleftarrow{Z_{y}}|_{k}$. If $\delta(k,X^{\prime})=0$, then $|\overleftarrow{Z_{x}}|_{k}=|\overleftarrow{X}|_{k}\leq|\overleftarrow{Y}|_{k}\leq|\overleftarrow{Z_{y}}|_{k}$. If $\delta(k,Y^{\prime})=0$ and $\delta(k,X^{\prime})\geq 1$, we suppose that $x_{1}$ is the $i$-th coordinate of $\overleftarrow{Z_{x}}$. Then, for each $j$ with $i\leq j\leq k$, $(\overleftarrow{Z_{x}})_{j}\leq x_{1}\leq y_{1}\leq(\overleftarrow{Z_{y}})_{j}$. Consequently, $|\overleftarrow{Z_{x}}|_{k}=|\overleftarrow{X}|_{i-1}+\sum_{i\leq j\leq k}(\overleftarrow{Z_{x}})_{j}\leq|\overleftarrow{Y}|_{i-1}+\sum_{i\leq j\leq k}(\overleftarrow{Z_{y}})_{j}=|\overleftarrow{Z_{y}}|_{k}$. If $\delta(k,X^{\prime})=2$ and $\delta(k,Y^{\prime})=1$, then $(\overleftarrow{Y})_{k-1}\geq y_{2}$. Thus, $|\overleftarrow{Z_{x}}|_{k}=|\overleftarrow{X}|_{k-2}+x_{1}+x_{2}\leq|\overleftarrow{Y}|_{k-2}+y_{1}+y_{2}\leq|\overleftarrow{Y}|_{k-1}+y_{1}=|\overleftarrow{Z_{y}}|_{k}$. If $\delta(k,X^{\prime})=1$ and $\delta(k,Y^{\prime})=2$, then $(\overleftarrow{Y})_{k-1}\leq y_{2}$. Thus, $|\overleftarrow{Z_{x}}|_{k}=|\overleftarrow{X}|_{k-1}+x_{1}\leq|\overleftarrow{Y}|_{k-1}+y_{1}\leq|\overleftarrow{Y}|_{k-2}+y_{1}+y_{2}=|\overleftarrow{Z_{y}}|_{k}$. The above discussion covers all possibilities. Then the lemma follows. $\Box$ ###### Theorem 2 $WAR(Pm(NP))\leq\frac{3}{2}$ for $m\geq 4$ and $WAR(P3(NP))\leq\sqrt{5}-1\approx 1.236$. * Proof. Consider an instance of $n$ jobs on $m\geq 4$ identical machines with ${\cal J}=\\{J_{1},J_{2},\cdots,J_{n}\\}$ and ${\cal M}=\\{M_{1},M_{2},\cdots,M_{m}\\}$. We assume that $p_{1}\geq p_{2}\geq\cdots\geq p_{n}$. Let $S$ be a schedule produced by LPT algorithm (which is the LS algorithm with the jobs being given in the LPT order) such that $L^{S}_{1}\geq L^{S}_{2}\geq\cdots\geq L^{S}_{m}$. Then $L(S)=\overleftarrow{L(S)}=(L^{S}_{1},L^{S}_{2},\cdots,L^{S}_{m})$. If $n\leq m$, it is easy to verify that $s(S)=1$. Hence we assume in the following that $n\geq m+1$. Then some machine has at least two jobs in $S$. Let $i_{0}$ be the smallest index such that either $M_{i_{0}+1}$ has at least three jobs in $S$, or $M_{i_{0}+1}$ has exactly two jobs in $S$ and the size of the shorter job on $M_{i_{0}+1}$ is at most half of the size of the longer job on $M_{i_{0}+1}$. If there is no such index, we set $i_{0}=m$. Then $i_{0}\geq 0$, and in the case $i_{0}\geq 1$, each of $M_{1},M_{2},\cdots,M_{i_{0}}$ has at most two jobs in $S$. Let $J_{k}$ be the shortest job scheduled on $M_{1},M_{2},\cdots,M_{i_{0}}$ and set ${\cal J}_{k}=\\{J_{1},J_{2},\cdots,J_{k}\\}$. Then ${\cal J}_{k}$ contains the jobs scheduled on $M_{1},M_{2},\cdots,M_{i_{0}}$. We use $M_{k^{\prime}}$ to denote the machine occupied by $J_{k}$ in $S$. Let $T$ be the schedule derived from $S$ by deleting $J_{k+1},J_{k+2},\cdots,J_{n}$. Then $T$ is an LPT-schedule for ${\cal J}_{k}$ with $L^{T}_{i}=L^{S}_{i},i=1,2,\cdots,i_{0}$. We claim that $s(T)=1$. In the case $i_{0}=0$, the claim holds trivially. Hence, we assume in the following that $i_{0}\geq 1$. If each of $M_{1},M_{2},\cdots,M_{i_{0}}$ has only one job in $S$, then $i_{0}=k\leq m$ and it is easy to see that $s(T)=1$. Suppose in the following that at least one of $M_{1},M_{2},\cdots,M_{i_{0}}$ has exactly two jobs in $S$. Then $m+1\leq k\leq 2m$ and the machine $M_{k^{\prime}}$ has exactly two jobs, say $J_{t}$ and $J_{k}$, in $S$. Note that there are at most two jobs on each machine in $T$. (Otherwise, some machine $M_{i}$ with $i\geq i_{0}+1$ has $r\geq 3$ jobs, say $J_{h_{1}},J_{h_{2}},\cdots,J_{h_{r}}$, in $T$. By LPT algorithm, $p_{t}\geq\sum^{r-1}_{j=1}p_{h_{j}}\geq 2p_{k}$, contradicting the choice of $i_{0}$.) From the LPT algorithm, we have $t={2m+1-k}$. By the choice of $i_{0}$, we have $p_{k}>\frac{1}{2}p_{2m+1-k}$. Let $R$ be an arbitrary schedule for ${\cal J}_{k}$. If each machine has at most two jobs in $R$, we set $R_{1}=R$. If some machine $M_{x}$ has at least three jobs in $R$, by the pigeonhole principle, a certain machine $M_{y}$ has either no job or exactly one job in $\\{J_{2m+1-k},J_{2m+2-k},\cdots,J_{k}\\}$. Let $R^{\prime}$ be the schedule obtained from $R$ by moving the shortest job, say $J_{x^{\prime}}$, on $M_{x}$ to $M_{y}$. Then $L^{R^{\prime}}_{x}\geq 2p_{k}>p_{2m+1-k}\geq L^{R}_{y}$ and $L^{R^{\prime}}_{y}=L^{R}_{y}+p_{x^{\prime}}\geq L^{R}_{y}$. Note that $L^{R}_{x}\geq L^{R^{\prime}}_{x},L^{R^{\prime}}_{y}\geq L^{R}_{y}$ and $L^{R}_{x}+L^{R}_{y}=L^{R^{\prime}}_{x}+L^{R^{\prime}}_{y}$. Then we have $L(R^{\prime})\preceq_{s}L(R)$ by lemma 1. This procedure is repeated until we obtain a schedule $R_{1}$ so that each machine has at most two jobs in $R_{1}$. Then we have $L(R_{1})\preceq_{s}L(R)$. If $J_{1},J_{2},\cdots,J_{m}$ are processed on distinct machines, respectively, in $R_{1}$, we set $R_{2}=R_{1}$. If some machine $M_{x}$ has two jobs $J_{x^{\prime}},J_{x^{\prime\prime}}\in\\{J_{1},J_{2},\cdots,J_{m}\\}$ in $R_{1}$, by the pigeonhole principle, a certain machine $M_{y}$ is occupied by at most two jobs in $\\{J_{m},J_{m+1},\cdots,J_{k}\\}$. Suppose that $p_{x^{\prime}}\geq p_{x^{\prime\prime}}$ and $J_{y^{\prime}}$ is the shorter job on $M_{y}$. Let $R^{\prime}_{1}$ be the schedule obtained from $R_{1}$ by shifting $J_{x^{\prime\prime}}$ to $M_{y}$ and shifting $J_{y^{\prime}}$ to $M_{x}$. Then $L^{R_{1}}_{x}\geq L^{R^{\prime}_{1}}_{x},L^{R^{\prime}_{1}}_{y}\geq L^{R_{1}}_{y}$ and $L^{R_{1}}_{x}+L^{R_{1}}_{y}=L^{R^{\prime}_{1}}_{x}+L^{R^{\prime}_{1}}_{y}$. Consequently, by lemma 1, $L(R^{\prime}_{1})\preceq_{s}L(R_{1})$. This procedure is repeated until we obtain a schedule $R_{2}$ so that $J_{1},J_{2},\cdots,J_{m}$ are processed on distinct machines, respectively, in $R_{2}$. Then we have $L(R_{2})\preceq_{s}L(R_{1})$. Without loss of generality, we assume that $J_{j}$ is processed on $M_{j}$ in $R_{2}$, $1\leq j\leq m$. Let $t=k-m$. Then the $t$ jobs $J_{m+1},J_{m+2},\cdots,J_{k}$ are processed on $t$ distinct machines in $R_{2}$. For convenience, we add another $m-t$ dummy jobs with sizes 0 in $R_{2}$ so that each machine has exactly two jobs. We define a sequence of $t$ schedules $R_{2}^{(1)},R_{2}^{(2)},\cdots,R_{2}^{(t)}$ for ${\cal J}_{k}$ by the following way. Initially we set $R_{2}^{(0)}=R_{2}$. For each $i$ from 1 to $t$, the schedule $R_{2}^{(i)}$ is obtained from $R_{2}^{(i-1)}$ by exchanging the shorter job on $M_{m-i+1}$ with job $J_{m+i}$. We only need to show that $L(R_{2}^{(i)})\preceq_{s}L(R_{2}^{(i-1)})$ for each $i$ with $1\leq i\leq t$. Note that the jobs $J_{m+1},J_{m+2},\cdots,J_{m+i-1}$ are processed on machines $M_{m},M_{m-1},\cdots,M_{m-i+2}$, respectively, in $R_{2}^{(i-1)}$. If $J_{m+i}$ is processed on $M_{m-i+1}$ in $R_{2}^{(i-1)}$, we have $R_{2}^{(i)}=R_{2}^{(i-1)}$ and so $L(R_{2}^{(i)})\preceq_{s}L(R_{2}^{(i-1)})$. Thus we may assume that $J_{m+i}$ is processed on a machine $M_{x}$ with $x\leq{m-i}$ in $R_{2}^{(i-1)}$. Let $J_{j}$ be the shorter job on $M_{m-i+1}$ in $R_{2}^{(i-1)}$. Then $p_{j}\leq p_{m+i}$ and $p_{x}\geq p_{m-i+1}$. It is easy to see that $(L^{R_{2}^{(i)}}_{x},L^{R_{2}^{(i)}}_{m-i+1})=(p_{x}+p_{j},p_{m-i+1}+p_{m+i})\preceq_{s}(p_{x}+p_{m+i},p_{m-i+1}+p_{j})=(L^{R_{2}^{(i-1)}}_{x},L^{R_{2}^{(i-1)}}_{m-i+1})$. Consequently, by lemma 1, $L(R_{2}^{(i)})\preceq_{s}L(R_{2}^{(i-1)})$. The above discussion means that $L(R_{2}^{(t)})\preceq_{s}L(R_{2})\preceq_{s}L(R_{1})\preceq_{s}L(R)$. Since $R_{2}^{(t)}$ is essentially an LPT-schedule, we have $\overleftarrow{L(T)}=\overleftarrow{L(R_{2}^{(t)})}$, and so, $L(T)\preceq_{s}L(R_{2}^{(t)})$. It follows that $L(T)\preceq_{s}L(R)$. The claim follows. Now let $\bar{S}$ be an arbitrary schedule for ${\cal J}$, and let $\bar{T}$ be the schedule for ${\cal J}_{k}$ derived from $\bar{S}$ by deleting jobs $J_{k+1},J_{k+2},\cdots,J_{n}$. Then $L(\bar{T})\preceq_{s}L(\bar{S})$. Assume without loss of generality that $L^{\bar{S}}_{1}\geq L^{\bar{S}}_{2}\geq\cdots\geq L^{\bar{S}}_{m}$ and $L^{\bar{T}}_{\pi(1)}\geq L^{\bar{T}}_{\pi(2)}\geq\cdots\geq L^{\bar{T}}_{\pi(m)}$, where $\pi$ is a permutation of $\\{1,2,\cdots,m\\}$. For each $i$ with $1\leq i\leq i_{0}$, the above claim implies that $\sum^{i}_{j=1}L^{S}_{j}=\sum^{i}_{j=1}L^{T}_{j}\leq\sum^{i}_{j=1}L^{\bar{T}}_{\pi(j)}\leq\sum^{i}_{j=1}L^{\bar{S}}_{j}$. Write $P=\sum^{n}_{j=1}p_{j}$, $Q=\sum^{i_{0}}_{i=1}L^{S}_{i}$ and $\bar{Q}=\sum^{i_{0}}_{i=1}L^{\bar{S}}_{i}$. Then $Q\leq\bar{Q}$. Note that, in the case $i_{0}=0$, we have $Q=\bar{Q}=0$. Let $J_{d}$ be the last job scheduled on machine $M_{i_{0}+1}$ in $S$. By the choice of $i_{0}$, $p_{d}\leq\frac{1}{2}(L^{S}_{i_{0}+1}-p_{d})$. From the LPT algorithm, we have $L^{S}_{i_{0}+1}-p_{d}\leq L^{S}_{j}$, $j=i_{0}+1,i_{0}+2,\cdots,m$. Hence, $L^{S}_{i_{0}+1}\leq\frac{3}{2}(L^{S}_{i_{0}+1}-p_{d})\leq\frac{3}{2}\cdot\frac{\sum^{m}_{j=i_{0}+1}L^{S}_{j}}{m-i_{0}}=\frac{3}{2}\cdot\frac{1}{m-i_{0}}(P-Q).$ Thus, for each $i$ with $i_{0}+1\leq i\leq m$, we have $\sum^{i}_{j=1}L^{S}_{j}\leq Q+(i-i_{0})L^{S}_{i_{0}+1}\leq Q+\frac{3}{2}\cdot\frac{i-i_{0}}{m-i_{0}}(P-Q),$ (1) and $\sum^{i}_{j=1}L^{\bar{S}}_{j}\geq\bar{Q}+(i-i_{0})\frac{\sum^{i_{0}+1}_{j=m}L^{\bar{S}}_{j}}{m-i_{0}}=\bar{Q}+\frac{i-i_{0}}{m-i_{0}}(P-\bar{Q})\geq Q+\frac{i-i_{0}}{m-i_{0}}(P-Q).$ (2) From (1) and (2), we conclude that $\sum^{i}_{j=1}L^{S}_{j}\leq\frac{3}{2}\sum^{i}_{j=1}L^{\bar{S}}_{j}$. Consequently, $s(S)\leq\frac{3}{2}$. It follows that $WAR(Pm(NP))\leq\frac{3}{2}$ for $m\geq 4$. Now let us consider problem $P3(NP)$. Let ${\cal I}$ be an instance. Denote by $S$ the schedule which minimizes the makespan, and by $T$ the schedule which maximizes the machine cover. Without loss of generality, we may assume that $L^{S}_{1}\geq L^{S}_{2}\geq L^{S}_{3}$, $L^{T}_{1}\geq L^{T}_{2}\geq L^{T}_{3}$ and $L^{S}_{1}+L^{S}_{2}+L^{S}_{3}=L^{T}_{1}+L^{T}_{2}+L^{T}_{3}=1$. Then $s(S)=\frac{L^{S}_{1}+L^{S}_{2}}{L^{T}_{1}+L^{T}_{2}}$ and $s(T)=\frac{L^{T}_{1}}{L^{S}_{1}}$. Consequently, $s^{*}({\cal I})\leq\min\\{\frac{L^{S}_{1}+L^{S}_{2}}{L^{T}_{1}+L^{T}_{2}},\frac{L^{T}_{1}}{L^{S}_{1}}\\}$. Note that $L^{T}_{1}=1-L^{T}_{2}-L^{T}_{3}\leq 1-2L^{T}_{3}$ and $L^{S}_{1}\geq\frac{L^{S}_{1}+L^{S}_{2}}{2}=\frac{1-L^{S}_{3}}{2}$. Then $s^{*}({\cal I})\leq\min\\{\frac{1-L^{S}_{3}}{1-L^{T}_{3}},\frac{1-2L^{T}_{3}}{\frac{1-L^{S}_{3}}{2}}\\}$. Set $x=1-2L^{T}_{3}$ and $t=1-L^{S}_{3}$. Then $\frac{2}{3}\leq t\leq 1$ and $s^{*}({\cal I})\leq\min\\{\frac{2t}{1+x},\frac{2x}{t}\\}$. If $x\geq\frac{\sqrt{1+4t^{2}}-1}{2}$, then $s^{*}({\cal I})\leq\frac{2t}{1+x}\leq\frac{2t}{1+\frac{\sqrt{1+4t^{2}}-1}{2}}=\frac{\sqrt{1+4t^{2}}-1}{t}$. If $x\leq\frac{\sqrt{1+4t^{2}}-1}{2}$, then $s^{*}({\cal I})\leq\frac{2x}{t}\leq\frac{\sqrt{1+4t^{2}}-1}{t}$. Note that $\frac{\sqrt{1+4t^{2}}-1}{t}\leq\sqrt{5}-1$ for all $t$ with $\frac{2}{3}\leq t\leq 1$. It follows that $s^{*}({\cal I})\leq\sqrt{5}-1$. The result follows. $\Box$ For problem $Pm(PP)$, McNaughton (1959) presented an optimal algorithm to generate a schedule which minimizes the makespan. A slight modification of the algorithm can generate a schedule $S$ with $s(S)=1$. Algorithm $MCR$ (with input $\mathcal{M}$ and $\mathcal{J}$) * 1. Finding the longest job $J_{h}$ in $\mathcal{J}$. If $p_{h}\leq\frac{\sum_{J_{j}\in\mathcal{J}}p_{j}}{|\mathcal{M}|}$, then apply McNaughton’s algorithm to assign all jobs in $\mathcal{J}$ to the machines in $\mathcal{M}$ evenly, and stop. Otherwise, assign $J_{h}$ to an arbitrary machine $M_{i}\in\mathcal{M}$. * 2. Reset $\mathcal{M}=\mathcal{M}\setminus\\{M_{i}\\}$ and $\mathcal{J}=\mathcal{J}\setminus\\{J_{h}\\}$. If $|\mathcal{J}|\neq 0$, then go back to 1. Otherwise, stop. ###### Lemma 3 Assume $p_{1}\geq p_{2}\geq\cdots\geq p_{n}$ and let $S$ be a preemptive schedule with $L^{S}_{1}\geq L^{S}_{2}\geq\cdots\geq L^{S}_{m}$. Then $\sum^{k}_{i=1}p_{i}\leq\sum^{k}_{i=1}L^{S}_{i}$, $k=1,2,\cdots,m$. * Proof. Let ${\cal J}_{k}=\\{J_{1},J_{2},\cdots,J_{k}\\}$. Then at most $k$ jobs in ${\cal J}_{k}$ can be processed simultaneously in the time interval $[0,L^{S}_{k}]$ and at most $k-i$ jobs of ${\cal J}_{k}$ can be processed simultaneously in the time interval $[L^{S}_{k+1-i},L^{S}_{k-i}]$, $i=1,2,\cdots,k-1$. Therefore, $\sum^{k}_{i=1}p_{i}\leq kL^{S}_{k}+\sum^{k-1}_{i=1}(k-i)(L^{S}_{k-i}-L^{S}_{k+1-i})=\sum^{k}_{i=1}L^{S}_{i}$. The lemma follows. $\Box$ ###### Theorem 4 $WAR(Pm(PP))=1$. * Proof. Assume that $p_{1}\geq p_{2}\geq\cdots\geq p_{n}$. Let $i_{0}$ be the largest job index such that $p_{i}>\frac{\sum_{j=i_{0}}^{n}p_{j}}{m-i_{0}+1}$. If there is no such index, we set $i_{0}=0$. Let $S$ be the preemptive schedule generated by algorithm $MCR$ with $L^{S}_{1}\geq L^{S}_{2}\geq\cdots\geq L^{S}_{m}$. Then we have $L^{S}_{i}=p_{i},\;i=1,2,\cdots,i_{0},$ (3) and $L^{S}_{i}=\frac{\sum_{j=i_{0}+1}^{n}p_{j}}{m-i_{0}},\;i=i_{0}+1,i_{0}+2,\cdots,m.$ (4) Let $T$ be a preemptive schedule with $L^{T}_{1}\geq L^{T}_{2}\geq\cdots\geq L^{T}_{m}$. If $1\leq k\leq i_{0}$, by lemma 3 and (3), $\sum^{k}_{i=1}L^{S}_{i}=\sum^{k}_{i=1}p_{i}\leq\sum^{k}_{i=1}L^{T}_{i}$. If $i_{0}+1\leq k\leq m$, by noting that $\sum^{i_{0}}_{i=1}L^{S}_{i}\leq\sum^{i_{0}}_{i=1}L^{T}_{i}$, we have $\sum^{k}_{i=1}L^{S}_{i}=\sum^{i_{0}}_{i=1}L^{S}_{i}+\frac{k-i_{0}}{m-i_{0}}(\sum^{n}_{i=1}p_{i}-\sum^{i_{0}}_{i=1}L^{S}_{i})\leq\sum^{i_{0}}_{i=1}L^{T}_{i}+\frac{k-i_{0}}{m-i_{0}}(\sum^{n}_{i=1}p_{i}-\sum^{i_{0}}_{i=1}L^{T}_{i})\leq\sum^{k}_{i=1}L^{T}_{i}$. Hence, $WAR(Pm(PP))=1$. The result follows. $\Box$ For problem $Pm(FP)$, the schedule $S$ averagely processing each job on all machines clearly has $s(S)=1$. Then we have ###### Theorem 5 $WAR(Pm(FP))=1$. ## 3 Related machines Assume that $s_{1}\geq s_{2}\geq\cdots\geq s_{m}$. We first present the exact expression of $WAR(Qm(FP))$ on the machine speeds $s_{1},s_{2},\cdots,s_{m}$. Then we show that it is a lower bound for $WAR(Qm(PP))$ and $WAR(Qm(NP))$. The fractional processing mode means that all jobs can be merged into a single job with processing time equal to the sum of processing times of all jobs. Thus we may assume that ${\cal I}$ is an instance of $Qm(FP)$ with just one job $J_{\cal I}$. Suppose without loss of generality that $p_{\cal I}=1$. A schedule $S$ of ${\cal I}$ is called _regular_ if $L^{S}_{1}\geq L^{S}_{2}\geq\cdots\geq L^{S}_{m}$. Then $\overleftarrow{L(S)}=L(S)$ if $S$ is regular. The following lemma can be observed from the basic mathematical knowledge. ###### Lemma 6 Suppose that $x_{1}\geq{x_{2}}\geq\cdots\geq{x_{n}}\geq 0$ and $y_{1}\geq{y_{2}}\geq\cdots\geq{y_{n}}\geq 0$. Then $\sum_{i=1}^{n}x_{i}y_{\pi(i)}\leq\sum_{i=1}^{n}x_{i}y_{i}$ for any permutation $\pi$ of $\\{1,2,\cdots,n\\}$. ###### Lemma 7 For any schedule $T$ of $\mathcal{I}$, there exists a regular schedule $S$ such that $L(S)\preceq_{c}\overleftarrow{L(T)}$. * Proof. Let $T$ be a schedule of $\mathcal{I}$ and $\pi$ a permutation of $\\{1,2,\cdots,m\\}$ such that $L^{T}_{\pi(1)}\geq L^{T}_{\pi(2)}\geq\cdots\geq L^{T}_{\pi(m)}$. By lemma 6, $\sum^{m}_{i=1}s_{i}L^{T}_{\pi(i)}\geq\sum^{m}_{i=1}s_{\pi(i)}L^{T}_{\pi(i)}\geq 1$. Let $i_{0}$ be the smallest machine index such that $\sum^{i_{0}}_{i=1}s_{i}L^{T}_{\pi(i)}\geq 1$. Let $S$ be the schedule in which a part of processing time $s_{i}L^{T}_{\pi(i)}$ is assigned to $M_{i}$, $i=1,2,\cdots,i_{0}-1$, and the rest part of processing time $1-\sum^{i_{0}-1}_{i=1}s_{i}L^{T}_{\pi(i)}$ is assigned to $M_{i_{0}}$. Then we have $L^{S}_{i}=L^{T}_{\pi(i)}$, for $i=1,2,\cdots,i_{0}-1$, $L^{S}_{i_{0}}=\frac{1-\sum^{i_{0}-1}_{i=1}s_{i}L^{T}_{\pi(i)}}{s_{i_{0}}}\leq\frac{\sum^{i_{0}}_{i=1}s_{i}L^{T}_{\pi(i)}-\sum^{i_{0}-1}_{i=1}s_{i}L^{T}_{\pi(i)}}{s_{i_{0}}}=L^{T}_{\pi(i_{0})}$, and $L^{S}_{i}=0\leq L^{T}_{\pi(i)}$ for $i=i_{0}+1,i_{0}+2,\cdots,m$. It can be observed that $S$ is regular and $L(S)\preceq_{c}\overleftarrow{L(T)}$. The lemma follows. $\Box$ Let $f(i)$ be the infimum of the sum of the first $i$ coordinates of $\overleftarrow{L(T)}$ in all feasible schedule $T$ of $\mathcal{I}$, $i=1,2,\cdots,m$. By lemma 7, we have $f(i)=\inf\\{\sum_{k=1}^{i}L^{S}_{k}:S\mbox{ is regular}\\},i=1,2,\cdots,m$. Then, for each schedule $T$ of $\mathcal{I}$ with $L^{T}_{\pi(1)}\geq L^{T}_{\pi(2)}\geq\cdots\geq L^{T}_{\pi(m)}$ for some permutation $\pi$ of $\\{1,2,\cdots,m\\}$, we have $s(T)=\max_{1\leq i\leq m}\left\\{\frac{\sum_{k=1}^{i}L^{\tau}_{\pi(k)}}{f(i)}\right\\}.$ (5) The following lemma gives the exact expression for each $f(i)$. ###### Lemma 8 $f(i)=\left\\{\begin{array}[]{cc}\frac{i}{\sum^{m}_{k=1}s_{k}},&i\leq\frac{\sum^{m}_{k=1}s_{k}}{s_{1}};\\\\[5.69046pt] \frac{1}{s_{1}},&i>\frac{\sum^{m}_{k=1}s_{k}}{s_{1}}.\end{array}\right.$ * Proof. Fix index $i$ and let $S$ be a regular schedule. Then we have $L^{S}_{1}\geq L^{S}_{2}\geq\cdots\geq L^{S}_{m}$ (6) and $\sum^{m}_{i=1}s_{i}L^{S}_{i}\geq 1.$ (7) So we only need to find a regular schedule $S$ meeting (6) and (7) such that $\sum_{k=1}^{i}L^{S}_{k}$ reaches the minimum. If $i\leq\frac{\sum^{m}_{k=1}s_{k}}{s_{1}}$, by (6) and (7), $\displaystyle\sum_{t=1}^{i}\left(\frac{\sum^{m}_{k=1}s_{k}}{i}\right)L^{S}_{t}$ $\displaystyle=$ $\displaystyle\sum^{i}_{t=1}s_{t}L^{S}_{t}+\sum_{t=1}^{i}\left(\frac{\sum^{m}_{k=1}s_{k}}{i}-s_{t}\right)L^{S}_{t}$ $\displaystyle\geq$ $\displaystyle\sum^{i}_{t=1}s_{t}L^{S}_{t}+\sum_{t=1}^{i}\left(\frac{\sum^{m}_{k=1}s_{k}}{i}-s_{t}\right)L^{S}_{i+1}$ $\displaystyle=$ $\displaystyle\sum^{i}_{t=1}s_{t}L^{S}_{t}+\left(\sum_{t=i+1}^{m}s_{t}\right)L^{S}_{i+1}$ $\displaystyle\geq$ $\displaystyle\sum^{i}_{t=1}s_{t}L^{S}_{t}+\sum^{m}_{t=i+1}s_{t}L^{S}_{t}=\sum^{m}_{t=1}s_{t}L^{S}_{t}\geq 1.$ The equality holds if and only if $L^{S}_{1}=L^{S}_{2}=\cdots=L^{S}_{m}=\frac{1}{\sum^{m}_{k=1}s_{k}}$. Then the regular schedule $S$ can be defined by the way that a part of processing time $\frac{s_{k}}{\sum^{m}_{k=1}s_{k}}$ is assigned to $M_{k}$, $k=1,2,\cdots,m$. Thus, $f(i)=\frac{i}{\sum^{m}_{k=1}s_{k}}$. If $i>\frac{\sum^{m}_{k=1}s_{k}}{s_{1}}$, we can similarly deduce $\displaystyle\sum_{k=1}^{i}s_{1}L^{S}_{k}$ $\displaystyle=$ $\displaystyle\sum_{k=1}^{i}s_{k}L^{S}_{k}+\sum_{k=1}^{i}(s_{1}-s_{k})L^{S}_{k}$ $\displaystyle\geq$ $\displaystyle\sum_{k=1}^{i}s_{k}L^{S}_{k}+\sum_{k=1}^{i}(s_{1}-s_{k})L^{S}_{i}$ $\displaystyle=$ $\displaystyle\sum_{k=1}^{i}s_{k}L^{S}_{k}+\left(is_{1}-\sum^{i}_{k=1}s_{k}\right)L^{S}_{i}$ $\displaystyle\geq$ $\displaystyle\sum_{k=1}^{i}s_{k}L^{S}_{k}+\left(\sum^{m}_{k=1}s_{k}-\sum^{i}_{k=1}s_{k}\right)L^{S}_{i}$ $\displaystyle\geq$ $\displaystyle\sum_{k=1}^{i}s_{k}L^{S}_{k}+\sum^{m}_{k=i+1}s_{k}L^{S}_{k}=\sum^{m}_{k=1}s_{k}L^{S}_{k}\geq 1.$ The equality holds if and only if $L^{S}_{1}=\frac{1}{s_{1}},L^{S}_{2}=\cdots=L^{S}_{m}=0$. Then the regular schedule $S$ can be defined by the way that $J_{\mathcal{I}}$ is scheduled totally on $M_{1}$ in $S$. Thus $f(i)=\frac{1}{s_{1}}$. The lemma follows. $\Box$ By lemma 7, $s^{*}(\mathcal{I})=\inf\\{s(S):S\mbox{ is regular}\\}$. For each regular schedule $S$, by (5) and lemma 8, we have $\sum^{i}_{k=1}L^{S}_{k}\leq{s(L(S))}{f(i)}$ for $i=1,2,\cdots,m.$. Let $s_{m+1}=0$ and $\frac{\sum^{m}_{i=1}s_{i}}{s_{1}}=t+\Delta$, where $t$ with $1\leq t\leq m$ is a positive integer and $0\leq\Delta<1$. By lemma 8, we have $i\cdot\frac{s(L(S))}{\sum^{m}_{k=1}s_{k}}\geq\sum^{i}_{k=1}L^{S}_{k},\;i=1,2,\cdots,t.$ (8) and $\frac{s(L(S))}{s_{1}}\geq\sum^{i}_{k=1}L^{S}_{k},\;i=t+1,t+2,\cdots,m.$ (9) From (8) and (9), we have $\sum^{t}_{i=1}(s_{i}-s_{i+1})\cdot i\cdot\frac{s(L(S))}{\sum^{m}_{i=1}s_{i}}+\sum^{m}_{i=t+1}(s_{i}-s_{i+1})\frac{s(L(S))}{s_{1}}\geq\sum^{t}_{i=1}(s_{i}-s_{i+1})\sum^{i}_{t=1}L^{S}_{t}+\sum^{m}_{i=t+1}(s_{i}-s_{i+1})\sum^{i}_{t=1}L^{S}_{t}=\sum^{m}_{i=1}s_{i}L^{S}_{i}=1$. Hence, $s(S)\geq\frac{\sum^{m}_{i=1}s_{i}}{\sum^{t}_{i=1}s_{i}+\left(\frac{\sum^{m}_{i=1}s_{i}}{s_{1}}-t\right)s_{t+1}}=\frac{\sum^{m}_{i=1}s_{i}}{\sum^{t}_{i=1}s_{i}+\Delta s_{t+1}}$. Note that the equality holds if and only if $L^{S}_{1}=L^{S}_{2}=\cdots=L^{S}_{t}=\frac{1}{\sum^{t}_{i=1}s_{i}+\Delta s_{t+1}}$, $L^{S}_{t+1}=\frac{\Delta}{\sum^{t}_{i=1}s_{i}+\Delta s_{t+1}}$ and $L^{S}_{t+2}=L^{S}_{t+3}=\cdots=L^{S}_{m}=0$. Then the corresponding regular schedule $S$ can be defined by the way that a part of processing time $\frac{s_{i}}{\sum^{t}_{k=1}s_{k}+\Delta s_{t+1}}$ is assigned to $M_{i}$, $i=1,2,\cdots,t$, and the rest part of processing time $\frac{\Delta s_{t+1}}{\sum^{t}_{i=1}s_{i}+\Delta s_{t+1}}$ is assigned to $M_{t+1}$. Hence, $s^{*}({\mathcal{I}})=\frac{\sum^{m}_{i=1}s_{i}}{\sum^{t}_{i=1}s_{i}+\Delta s_{t+1}}$. Consequently, $WAR(Qm(FP))=\frac{\sum^{m}_{i=1}s_{i}}{\sum^{t}_{i=1}s_{i}+\Delta s_{t+1}}$ if the machine speeds are fixed. If the machine speeds are parts of the input, by the fact that $s_{1}\geq s_{2}\geq\cdots\geq s_{m}$, we have $\frac{\sum^{t}_{i=2}s_{i}+\Delta s_{t+1}}{t-1+\Delta}\geq\frac{\sum^{m}_{i=2}s_{i}}{m-1}.$ (10) Let $\theta=\frac{\sum^{m}_{i=2}s_{i}}{m-1}$ and $\vartheta=\frac{s_{1}}{\theta}>1$. Then $t+\Delta=\frac{\sum^{m}_{i=1}s_{i}}{s_{1}}=\frac{s_{1}+(m-1)\theta}{s_{1}}=\frac{\vartheta+m-1}{\vartheta}.$ (11) Obviously, $\frac{m}{\vartheta-1}+(\vartheta-1)\geq 2\sqrt{\frac{m}{\vartheta-1}(\vartheta-1)}=2\sqrt{m}$. By (10) and (11), we have $\frac{\sum^{m}_{i=1}s_{i}}{\sum^{t}_{i=1}s_{i}+\Delta s_{t+1}}=\frac{s_{1}+(m-1)\frac{\sum^{m}_{i=2}s_{i}}{m-1}}{s_{1}+(t-1+\Delta)\frac{\sum^{t}_{i=2}s_{i}+\Delta s_{t+1}}{t-1+\Delta}}\leq\frac{s_{1}+(m-1)\frac{\sum^{m}_{i=2}s_{i}}{m-1}}{s_{1}+(t-1+\Delta)\frac{\sum^{m}_{i=2}s_{i}}{m-1}}=1+\frac{m-1}{(\frac{m}{\vartheta-1}+(\vartheta-1))+2}\leq 1+\frac{m-1}{2\sqrt{m}+2}=\frac{\sqrt{m}+1}{2}$. So we have $s^{*}(\mathcal{I})\leq\frac{\sqrt{m}+1}{2}$ and therefore $WAR(Qm(FP))\leq\frac{\sqrt{m}+1}{2}$. To show that $WAR(Qm(FP))=\frac{\sqrt{m}+1}{2}$, we consider the following instance $\mathcal{I}$ with $p_{\mathcal{I}}=1$, $s_{1}=s=\sqrt{m}+1>1$ and $s_{2}=s_{3}=\cdots=s_{m}=1$. Let $S$ be a regular schedule and write $x=sL^{S}_{1}$. Then $\sum^{m}_{t=2}L^{S}_{t}=1-x$. By lemma 8 and (5), we have $s(S)\geq\max\left\\{\frac{L^{S}_{1}}{f(1)},\frac{\sum_{i=1}^{m}L^{S}_{i}}{f(m)}\right\\}=\max\left\\{\frac{x(s+m-1)}{s},x+s(1-x)\right\\}\geq\frac{s^{2}+sm-s}{s^{2}+m-1}=\frac{\sqrt{m}+1}{2}$, where the inequality follows from the fact that $\frac{x(s+m-1)}{s}$ is an increasing function in $x$ while $x+s(1-x)$ is a decreasing function in $x$ and they meet with $\frac{s^{2}+sm-s}{s^{2}+m-1}$ when $x=\frac{s^{2}}{s^{2}+m-1}$. Then $s^{*}(\mathcal{I})\geq\frac{\sqrt{m}+1}{2}$. Consequently, $WAR(Qm(FP))=\frac{\sqrt{m}+1}{2}$. The above discussion leads to the following conclusion. ###### Theorem 9 If the machine speeds $s_{1},s_{2},\cdots,s_{m}$ are fixed, then $WAR(Qm(FP)=\frac{\sum^{m}_{i=1}s_{i}}{\sum^{t}_{i=1}s_{i}+\Delta s_{t+1}}$, where $\frac{\sum^{m}_{i=1}s_{i}}{s_{1}}=t+\Delta$, $1\leq t\leq m$ is a positive integer and $0\leq\Delta<1$. If the machine speeds $s_{1},s_{2},\cdots,s_{m}$ are parts of the input, then $WAR(Qm(FP)=\frac{\sqrt{m}+1}{2}$. ###### Lemma 10 If the machine speeds $s_{1},s_{2},\cdots,s_{m}$ are fixed, then $WAR(Qm(NP))\geq WAR(Qm(FP))$ and $WAR(Qm(PP))\geq WAR(Qm(FP))$. * Proof. We only consider the non-preemptive processing mode. For the preemptive processing mode, the result can be similarly proved. Given a schedule $S$, we denote by $\pi^{S}$ the permutation of $\\{1,2,\cdots,m\\}$ such that $L^{S}_{\pi^{S}(1)}\geq L^{S}_{\pi^{S}(2)}\geq\cdots\geq L^{S}_{\pi^{S}(m)}$. Suppose without loss of generality that $s_{m}=1$. Write $\eta=WAR(Qm(NP))$. Let $\mathcal{I}$ be an instance of $Q_{m}(FP)$ with only one job $J_{\mathcal{I}}$ of processing time 1. For each $i$, set $f(i)$ to be the infimum of $\sum_{k=1}^{i}L^{S}_{\pi^{S}(k)}$ of schedule $S$ over all fractional schedules of $\mathcal{I}$. We only need to show that $s^{*}(\mathcal{I})\leq\eta$. Assume to the contrary that $s^{*}(\mathcal{I})>\eta$. Let $\epsilon>0$ be a sufficiently small number such that $\eta(f(i)+i\epsilon)<s^{*}(\mathcal{I})f(i)$, $i=1,2,\cdots,m$. Let $\mathcal{H}$ be an instance of $Q_{m}(NP)$ such that the total processing time of jobs is equal to $1$ and the processing time of each job is at most $\epsilon$. For each $i$, let $g(i)$ be the infimum of $\sum_{k=1}^{i}L^{S}_{\pi^{S}(k)}$ of schedule $S$ over all feasible schedules of $\mathcal{H}$. We assert that $g(i)\leq f(i)+i\epsilon,\;i=1,2,\cdots,m.$ (12) To the end, let $S_{i}$ be the regular schedule of $\mathcal{I}$ such that $\sum^{i}_{k=1}L^{S_{i}}_{k}=f(i)$, $i=1,2,\cdots,m$. Fix index $i$, we construct a non-preemptive schedule $S$ of $\mathcal{H}$ such that $\sum_{k=1}^{i}L^{S}_{\pi^{S}(k)}\leq f(i)+i\epsilon$. This leads to $g(i)\leq\sum_{k=1}^{i}L^{S}_{\pi^{S}(k)}\leq f(i)+i\epsilon$, and therefore, proves the assertion. The construction of $S$ is stated as follows. First, we assign jobs to $M_{i}$ one by one until $L^{S}_{1}\geq L^{S_{i}}_{1}$. Then we assign the rest jobs to $M_{2}$ one by one until $L^{S}_{2}\geq L^{S_{i}}_{2}$. This procedure is repeated until all jobs are assigned. According to the construction of $S$, we have $L^{S}_{k}\leq L^{S_{i}}_{k}+\frac{\epsilon}{s_{k}}\leq L^{S_{i}}_{k}+\epsilon$, $k=1,2,\cdots,m$. Note that $L^{S_{i}}_{1}\geq L^{S_{i}}_{2}\geq\cdots\geq L^{S_{i}}_{m}$. Then $\sum_{k=1}^{i}L^{S}_{\pi^{S}(k)}\leq\sum_{k=1}^{i}(L^{S_{i}}_{\pi^{S}(k)}+\epsilon)\leq\sum^{i}_{k=1}L^{S_{i}}_{k}+i\epsilon=f(i)+i\epsilon$. Let $R$ be the schedule of $\mathcal{H}$ such that $s(R)=s^{*}(\mathcal{H})$. It can be observed that there exists a schedule $T$ of $\mathcal{I}$ such that $L(T)\preceq_{c}L(R)$. Hence, for each $i$ with $1\leq i\leq m$, we have $\sum^{i}_{k=1}L^{T}_{\pi^{T}(k)}\leq\sum^{i}_{k=1}L^{R}_{\pi^{T}(k)}\leq\sum^{i}_{k=1}L^{R}_{\pi^{R}(k)}\leq{s(R)g(i)}\leq{s^{*}(\mathcal{H})(f(i)+i\epsilon)}\leq\eta(f(i)+i\epsilon)<s^{*}(\mathcal{I})f(i)$. This contradicts the definition of $s^{*}(\mathcal{I})$. So $s^{*}(\mathcal{I})\leq\eta$. The result follows. $\Box$ By theorem 9 and lemma 10, the following theorem holds. ###### Theorem 11 If the machine speeds $s_{1},s_{2},\cdots,s_{m}$ are fixed, then $WAR({\cal P})\geq\frac{\sum^{m}_{i=1}s_{i}}{\sum^{t}_{i=1}s_{i}+\Delta s_{t+1}}$ for ${\cal P}\in\\{Qm(NP),Qm(PP)\\}$, where $\frac{\sum^{m}_{i=1}s_{i}}{s_{1}}=t+\Delta$, $t$ is a positive integer with $1\leq t\leq m$, and $0\leq\Delta<1$. If the machine speeds $s_{1},s_{2},\cdots,s_{m}$ are parts of the input, then $WAR({\cal P})\geq\frac{\sqrt{m}+1}{2}$ for ${\cal P}\in\\{Qm(NP),Qm(PP)\\}$. ## 4 Unrelated machines Since $Qm$ is a special version of $Rm$, from the results in the previous section, the weak simultaneous approximation ratio is at least $\frac{\sqrt{m}+1}{2}$ for each of $Rm(NP)$, $Rm(PP)$ and $Rm(FP)$. The following lemma establishes an upper bound of the weak simultaneous approximation ratio for the three problems. ###### Lemma 12 $WAR({\cal P})\leq\sqrt{m}$ for ${\cal P}\in\\{Rm(NP),Rm(PP),Rm(FP)\\}$. * Proof. Let ${\cal I}$ be an instance of $R_{m}(NP)$, $R_{m}(PP)$ or $R_{m}(FP)$. Let $S$ be a schedule which minimizes the makespan with $L^{S}_{1}\geq L^{S}_{2}\geq\cdots\geq L^{S}_{m}$. Write $p_{[j]}=\min_{1\leq i\leq m}\\{p_{ij}\\}$. If $L^{S}_{1}\leq\frac{\sum^{n}_{j=1}p_{[j]}}{\sqrt{m}}$, let $T$ be a feasible schedule with $L^{T}_{\pi(1)}\geq L^{T}_{\pi(2)}\geq\cdots\geq L^{T}_{\pi(m)}$ for some permutation $\pi$ of $\\{1,2,\cdots,m\\}$. For each $i$, we have $\sum^{i}_{k=1}L^{S}_{k}\leq iL^{S}_{1}\leq\sqrt{m}\cdot\frac{i}{m}\sum^{n}_{j=1}p_{[j]}\leq\sqrt{m}\sum^{i}_{k=1}L^{T}_{\pi(k)}$. This means that $s^{*}({\cal I})\leq\sqrt{m}$. If $L^{S}_{1}>\frac{\sum^{n}_{j=1}p_{[j]}}{\sqrt{m}}$, let $R$ be the schedule in which each job $J_{j}$ is assigned to the machine $M_{i}$ with $p_{ij}=p_{[j]}$. Let $O$ be an arbitrarily feasible schedule, and let ${\pi}_{1}$ and ${\pi}_{2}$ be two permutations of $\\{1,2,\cdots,m\\}$ such that $L^{R}_{{\pi}_{1}(1)}\geq L^{R}_{{\pi}_{1}(2)}\geq\cdots\geq L^{R}_{{\pi}_{1}(m)}$ and $L^{O}_{{\pi}_{2}(1)}\geq L^{O}_{{\pi}_{2}(2)}\geq\cdots\geq L^{O}_{{\pi}_{2}(m)}$. For each $i$, we have $\sum^{i}_{k=1}L^{R}_{{\pi}_{1}(k)}\leq\sum^{m}_{k=1}L^{R}_{{\pi}_{1}(k)}=\sum^{n}_{j=1}p_{[j]}<\sqrt{m}L^{S}_{1}\leq\sqrt{m}L^{O}_{{\pi}_{2}(1)}\leq\sqrt{m}\sum^{i}_{k=1}L^{O}_{{\pi}_{2}(k)}$. This also means that $s^{*}({\cal I})\leq\sqrt{m}$. The lemma follows. $\Box$ Combining with the results of the previous section, we have the following theorem. ###### Theorem 13 For each problem ${\cal P}\in\\{Qm(NP),Qm(PP),Qm(FP),Rm(NP),Rm(PP),Rm(FP)\\}$, we have $\frac{\sqrt{m}+1}{2}\leq WAR({\cal P})\leq\sqrt{m}$. ## Acknowledgments The authors would like to thank the associate editor and two anonymous referees for their constructive comments and kind suggestions. ## References * Bhargava et al. (2001) Bhargava R, Goel A, Meyerson A (2001) Using approximate majorization to characterize protocol fairness. In: Proceedings of the 2001 ACM SIGMETRICS international conference on Measurement and modeling of computer systems (SIGMETRICS’01). ACM, New York, pp 330–331 * Csirik et al. (1992) Csirik J, Kellerer H, Woeginger G (1992) The exact LPT-bound of maximizing the minimum completion time. Operations Research Letters 11(5): 281–287 * Deuermeyer et al. (1982) Deuermeyer BL, Friesen DK, Langston AM (1982) Scheduling to maximize the minimum processor finish time in a multiprocessor system. SIAM Journal on Discrete Mathematics 3(2): 190–196 * Goel et al. (2001) Goel A, Meyerson A, Plotkin S (2001) Combining fairness with throughput: online routing with multiple objectives. Journal of Computer and System Sciences 63: 62–79 * Goel et al. (2005) Goel A, Meyerson A, Plotkin S (2005) Approximate majorization and fair online load balancing. ACM Transactions on Algorithms 1(2): 338–349 * Graham (1966) Graham RL (1966) Bounds for certain multiprocessing anomalies. Bell System Technical Journal 45(9): 1563–1581 * Graham (1969) Graham RL (1969) Bounds for multiprocessing timing anomalies. SIAM Journal on Applied Mathematics 17(2): 416–429 * Kleinberg et al. (2001) Kleinberg J, Rabani Y, Tardos É (2001) Fairness in Routing and Load Balancing. Journal of Computer and System Sciences 63: 2–20 * Kumar and Kleinberg (2006) Kumar A, Kleinberg J (2006) Fairness measures for resource allocation. SIAM Journal on Computing 36(3): 657–680 * McNaughton (1959) McNaughton R (1959) Scheduling with deadlines and loss functions. Management Science 6(1): 1–12
arxiv-papers
2013-04-15T12:47:42
2024-09-04T02:49:44.336018
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Long Wan", "submitter": "Long Wan", "url": "https://arxiv.org/abs/1304.4073" }
1304.4096
# The AB equations and the $\bar{\partial}$-dressing method in semi- characteristic coordinates 00footnotetext: Junyi Zhu and Xianguo Geng School of Mathematics and Statistics, Zhengzhou University, Zhengzhou, Henan 450001, China Email: [email protected] ###### Abstract The dressing method based on the $2\times 2$ matrix $\bar{\partial}$-problem is generalized to study the canonical form of AB equations. The soliton solutions for the AB equations are given by virtue of the properties of Cauchy matrix. Asymptotic behaviors of the $N$-soliton solution are discussed. PACS number: 02.30.IK, 02.30.Jr ## 1 Introduction The AB equations have important applications in geophysical fluids and in nonlinear optics [1, 2, 3, 4, 5]. The important features are that the AB equations are integrable by the inverse scattering transform and can be reduced to the sine-Gordon equation[6, 7]. The single-phase periodic solution is studied by the method for improving the effectiveness of one-phase periodic solutions of integrable equations in [8], the envelope solitary wave and sine Waves are discussed in [9]. In addition, Guo et al. [10] investigated the Painlevé property and conservation laws of one type of variable-coefficient AB equation, and obtained the soliton solutions by Darboux transformation. The $\bar{\partial}$-dressing method [11, 12, 13, 14, 15] is a powerful tools to construct and solve integrable nonlinear equations as well as to describe their transformations and reductions. For a review see [16, 17], and references therein. To our knowledge, The $N$-soliton solution of the AB equation has not been given and $\bar{\partial}$-dressing method for the AB equation is open. In this paper, we study the AB equations in semi-characteristic coordinates by extended $\bar{\partial}$-dressing method [18] and give their $N$-soliton solution. The present paper is organized as follows. In Sec. 2, the semi-characteristic coordinates $\xi$ and $\tau$ are introduced in the spectral transform matrix to derive the Lax pair of these equations, where the $\tau$-dependent linear spectral problem is obtained by introducing a special singular dispersion relation. In Sec. 3, suitable symmetry conditions are applied to derive the AB equations in canonical form. In Sec. 4, the properties of Cauchy matrix are used to discuss one-soliton, two-soliton, as well as N-soliton solutions of the equations. In the last section, we study the asymptotic behaviors of the $N$-soliton solution. ## 2 Spectral transform and Lax pair In this paper, we consider the $2\times 2$ matrix $\bar{\partial}$-problem in the complex $k$-plane, $\bar{\partial}\psi(k,\bar{k})=\psi(k,\bar{k})R(k,\bar{k}),$ (2.1) where $\bar{\partial}\equiv\partial/\partial\bar{k}$ and $R=R(k,\bar{k})$ is a spectral transform matrix which will be associated with a nonlinear equation. It is readily verified that a solution of the $\bar{\partial}$-problem (2.1) with the canonical normalization can be written as $\psi(k)=I+\psi RC_{k},$ (2.2) where $C_{k}$ denotes the Cauchy-Green integral operator acting on the left $\psi RC_{k}=\frac{1}{2i\pi}\iint\frac{{\rm d}z\wedge{\rm d}\bar{z}}{z-k}\psi(z)R(z),$ and here we have suppressed the variable $\bar{k}$ dependence in $\psi$ and $R$. It is readily verified that, for some matrix functions $f(k)$ and $g(k$), the operator $C_{k}$ satisfies $\displaystyle g(k)[f(k)C_{k}]C_{k}+[g(k)C_{k}]f(k)C_{k}=[g(k)C_{k}][f(k)C_{k}],$ (2.3) The formal solution of $\bar{\partial}$-problem (2.1) in terms of the matrix $R$ will be given from (2.2) as $\psi(k)=I\cdot(I-RC_{k})^{-1}.$ (2.4) For the sake of convenience, we define a pairing $\langle f,g\rangle=\frac{1}{2i\pi}\iint f(k)g^{\rm T}(k){\rm d}k\wedge{\rm d}\bar{k},\quad\langle f,g\rangle^{\rm T}=\langle g,f\rangle,$ It is known that the above pairing possesses the following prosperities [13] $\langle fR,g\rangle=\langle f,gR^{\rm T}\rangle,\quad\langle fC_{k},g\rangle=-\langle f,gC_{k}\rangle.$ (2.5) In addition, we can easily prove the following properties $\displaystyle kf(k)C_{k}=k[f(k)C_{k}]+\langle f(k)\rangle,$ (2.6) $\displaystyle\frac{1}{\mu-k}f(k)C_{k}=\frac{1}{\mu-k}\\{[f(k)C_{k}]-[f(\mu)C_{\mu}]\\},$ where $\langle f(k)\rangle=\langle f(k),I\rangle$. The aim of the $\bar{\partial}$ dressing method is to construct the compatible system of linear equations for $\psi$ and consequently the nonlinear evolution equations associated the $\bar{\partial}$-problem (2.1). According to the main idea of the inverse scattering transform method, it is important to introduce the $\xi,\tau$ dependence in the spectral transform matrix $R(k,\bar{k})$. For the AB equations, let the $\xi$ and $\tau$-dependence be given by the linear and solvable equations $R_{\xi}=ik[\sigma_{3},R],\quad\sigma_{3}={\rm diag}(1,-1),$ (2.7) and $R_{\tau}=[\Omega,R],$ (2.8) where $\Omega(k)$ is a singular dispersion relation, that is $\Omega(k)=\omega(k)C_{k}\sigma_{3},$ (2.9) where $\omega(k)$ is some scalar function. Differentiating (2.2) with respect to $\xi$ and $\tau$, and using (2.7),(2.8), as well as the properties of the Cauchy-Green operator (2.6), we obtain the Zakharov-Shabat spectral problem [18] $\displaystyle\psi_{\xi}-ik[\sigma_{3},\psi]=Q\psi,$ (2.10) $\displaystyle\quad Q=i[\sigma_{3},\langle\psi R\rangle],$ and the $\tau$-dependent linear equation associated with the singular dispersion relation $\psi_{\tau}=\left(\omega\psi\sigma_{3}\psi^{-1}C_{k}\right)\psi-\psi\Omega.$ (2.11) ## 3 The AB equations In this section, we will derive the AB equations equations associated with spectral problem (2.10). To the end, differentiating the expression of $Q$ in (2.10) with respect to $\tau$ yields $Q_{\tau}=i[\sigma_{3},\langle\psi R\rangle_{\tau}].$ (3.1) Since $\bar{\partial}(f(k)C_{k})=f(k)$, then $\displaystyle(\psi R)_{\tau}$ $\displaystyle=\bar{\partial}\psi_{\tau}=\bar{\partial}\left\\{\psi R_{\tau}C_{k}(I-RC_{k})^{-1}\right\\}$ $\displaystyle=\bar{\partial}\left\\{\psi R_{\tau}(I-RC_{k})^{-1}C_{k}\right\\}=\psi R_{\tau}(I-RC_{k})^{-1}.$ Hence, in virtue of the properties (2.4), equation (3.1) can be rewritten as $Q_{\tau}=i[\sigma_{3},\langle\psi R_{\tau}(I-RC_{k})^{-1},I\rangle]=i[\sigma_{3},\langle\psi R_{\tau},I\cdot(I+R^{\rm T}C_{k})^{-1}\rangle].$ (3.2) Based on the identity $\bar{\partial}(\psi^{-1})^{\rm T}=-(\psi^{-1})^{\rm T}R^{\rm T}$, the same procedure as (2.2) and (2.4) products $I\cdot(I+R^{\rm T}C_{k})^{-1}=(\psi^{-1})^{\rm T}.$ Therefore, using (2.4) and the definition of pairing $\langle f,g\rangle$, equation (3.2) takes the form $\displaystyle Q_{\tau}$ $\displaystyle=i[\sigma_{3},\langle\psi\Omega,(\psi^{-1}R^{\rm T})\rangle]-i[\sigma_{3},\langle\psi R\Omega,(\psi^{-1})^{\rm T}\rangle]$ $\displaystyle=-i[\sigma_{3},\langle\psi\Omega,\bar{\partial}(\psi^{-1})^{\rm T}\rangle]-i[\sigma_{3},\langle({\bar{\partial}}\psi)\Omega,(\psi^{-1})^{\rm T}\rangle]$ $\displaystyle=-i[\sigma_{3},\langle\psi\Omega\bar{\partial}\psi^{-1}\rangle]-i[\sigma_{3},\langle({\bar{\partial}}\psi)\Omega\psi^{-1}\rangle].$ Taking into account the fact that $\Omega\rightarrow 0$ as $k\rightarrow\infty$, the above equation can be further reduced to $\displaystyle Q_{\tau}$ $\displaystyle=-i[\sigma_{3},\langle\bar{\partial}(\psi\Omega\psi^{-1})\rangle-\langle\psi(\bar{\partial}\Omega)\psi^{-1}\rangle]$ (3.3) $\displaystyle=i[\sigma_{3},\langle\omega(k)\psi\sigma_{3}\psi^{-1}\rangle].$ By virtue of the spectral problem (2.10), one can verify that $U_{\xi}=ik[\sigma_{3},U]+[Q,U],\quad U=\psi\sigma_{3}\psi^{-1},$ (3.4) and $Q_{\tau}=i[\sigma_{3},\langle\omega(k)U\rangle].$ (3.5) In order to derive the $\tau$-dependent linear spectral problem of the AB equations, we take $\omega(k)=-i\pi\delta(k),$ (3.6) then $V\equiv i\langle\omega U\rangle=-U|_{k=0},$ (3.7) which implies $Q_{\tau}=[\sigma_{3},V],\quad V_{\xi}=[Q,V].$ (3.8) It is noted that the coupled equations (3.8) can also be derived from the compatibility condition of the linear equations (2.10) and (2.11). From (3.6), we know that the linear spectral problem (2.11) can be rewritten as $\psi_{\tau}+\frac{1}{ik}\psi\sigma_{3}=-\frac{1}{ik}V\psi.$ (3.9) For the purpose of obtaining the AB equations, we introduce the following symmetry condition $Q^{\dagger}=-Q,$ (3.10) from which we take $Q=2\left(\begin{matrix}0&-\bar{A}\\\ A&0\\\ \end{matrix}\right).$ (3.11) Here, the form of the potential function is chosen to ensure that the normalization condition $|A_{\tau}|^{2}+B^{2}=1$ can be obtained. In addition, we need another symmetry condition about $\psi(k)$ $\psi^{\dagger}(\bar{k})=\psi^{-1}(k).$ (3.12) It is noted that this constraint condition can be obtained by using the symmetry condition (3.10) and the spectral problem (2.10), as well as the linear equation (2.7). From (3.8), we know that $\displaystyle V^{(o)}=\frac{1}{2}\sigma_{3}Q_{\tau},$ $\displaystyle Q_{\xi\tau}=[\sigma_{3},[Q,V]]=2\sigma_{3}[Q,V^{(d)}],$ $\displaystyle V^{(d)}_{\xi}=[Q,V^{(o)}]=-\frac{1}{2}\sigma_{3}(Q^{2})_{\tau},$ where $V^{(o)}$ and $V^{(d)}$ denote the off-diagonal and diagonal of the matrix $V$, respectively. Hence $V=V^{(o)}+V^{(d)}$. According to the above equations, we take $V=-\left(\begin{matrix}B&\bar{A}_{\tau}\\\ A_{\tau}&-B\end{matrix}\right),$ (3.13) then we have the AB equations in canonical form $A_{\xi\tau}-4AB=0,\quad B_{\xi}+2(|A|^{2})_{\tau}=0.$ (3.14) It is remarked that the Lax pair of the AB equations is defined by (2.10) and (3.9), as well as (3.13). ## 4 Soliton solutions In the section, we will derive the explicit solutions of the AB equations (3.14) and their soliton solutions. To this end, we introduce the spectral transform matrix $R$ as $R(k)=i\pi\sum\limits_{j=1}^{N}\left(\begin{matrix}0&\bar{c}_{j}e^{2ik\xi}\delta(k-\bar{k}_{j})&\\\ c_{j}e^{-2ik\xi}\delta(k-k_{j})&0\\\ \end{matrix}\right),$ (4.1) where $\\{k_{j}\\}_{1}^{N}$ are complex constants and $c_{j}=c_{j}(\tau)$. The evolution of these $\tau$-dependent functions can be obtained from (2.8) and (3.6) $c_{j,\tau}=-\frac{2}{ik_{j}}c_{j},\quad j=1,2,\cdots,N,$ (4.2) Substituting (4.1) into (2.10), in view of (3.12), yields $A=-i\langle\psi R\rangle_{21}=-\hat{\psi}_{22}\cdot g^{T},$ (4.3) where $\displaystyle\hat{\psi}_{22}=\left(\psi_{22}(k_{1}),\cdots,\psi_{22}(k_{N})\right),\quad g=(g_{1},\cdots,g_{N}),$ (4.4) $\displaystyle g_{j}=c_{j}e^{2k_{j}\xi}=e^{2z_{j}},\quad z_{j}=\theta_{j}-i\varphi_{j},$ $\displaystyle\quad\theta_{j}={\rm Im}k_{j}\xi+\frac{{\rm Im}k_{j}}{|k_{j}|^{2}}\tau+\kappa_{j},$ $\displaystyle\quad\varphi_{j}={\rm Re}k_{j}\xi-\frac{{\rm Re}k_{j}}{|k_{j}|^{2}}\tau+\chi_{j},$ where $\\{\kappa_{j},\chi_{j}\\}$ are arbitrary constants. In addition, from (3.7) and (3.4),(3.13), by virtue of symmetry condition (3.12), we obtain $B=|\psi_{22}(0)|^{2}-|\psi_{21}(0)|^{2},$ (4.5) in terms of $\det\psi=1$. In the following, we will give the expression of $\psi_{ij}$ about the discrete data. Substitution (4.1) into (2.2) yields $\displaystyle\psi_{22}(k)$ $\displaystyle=1-i\sum\limits_{j=1}^{N}\frac{\psi_{21}(\bar{k}_{j})\bar{g}_{j}}{\bar{k}_{j}-k},$ (4.6) $\displaystyle\psi_{21}(k)$ $\displaystyle=-i\sum\limits_{j=1}^{N}\frac{\psi_{22}(k_{j})g_{j}}{k_{j}-k},$ which imply that $\hat{\psi}_{22}=E(I+K\bar{K})^{-1},\quad\tilde{\psi}_{21}=-iEK(I+\bar{K}K)^{-1},$ (4.7) where the vectors $\hat{\psi}_{22},g$ are defined by (4.4) and $\displaystyle\tilde{\psi}_{21}=(\psi_{21}(\bar{k}_{1}),\cdots,\psi_{21}(\bar{k}_{N})),\quad E=(1,\cdots,1),$ (4.8) $\displaystyle K=(K_{nm})_{N\times N},\quad K_{nm}=\frac{g_{n}}{k_{n}-\bar{k}_{m}}.$ In addition, from (4.6), we have $\displaystyle\psi_{21}(0)=-i\hat{\psi}_{22}h^{T},\quad\psi_{22}(0)=1-i\tilde{\psi}_{21}\bar{h}^{T},$ (4.9) $\displaystyle\quad h=(h_{1},\cdots,h_{N}),\quad h_{j}=\frac{g_{j}}{k_{j}}.$ Substituting (4.7) into (4.3) and (4.9) one obtains [19] $\displaystyle A=$ $\displaystyle-{\rm tr}[(I+M)^{-1}g^{T}E]$ (4.10) $\displaystyle=$ $\displaystyle-\frac{\det(I+M+g^{T}E)-\det(I+M)}{\det(I+M)},$ $\displaystyle\psi_{21}(0)=$ $\displaystyle-i{\rm tr}[(I+M)^{-1}h^{T}E]$ $\displaystyle=$ $\displaystyle-i\frac{\det(I+M+h^{T}E)-\det(I+M)}{\det(I+M)},$ $\displaystyle\psi_{22}(0)=$ $\displaystyle 1-{\rm tr}[(I+\tilde{M})\bar{h}^{T}EK]$ $\displaystyle=$ $\displaystyle 1-\frac{\det(I+\tilde{M}+\bar{h}^{T}EK)-\det(I+\tilde{M})}{\det(I+\tilde{M})},$ where $M=K\bar{K},\quad\tilde{M}=\bar{K}K.$ (4.11) Indeed, for example, it is easy to see that $A=-E(I+M)^{-1}g^{T}$ in view of (4.3) and (4.7). Then one may find $A=-{\rm tr}[(I+M)^{-1}g^{T}E]$ by multiplication of matrices, and $A=-[\det(I+M+g^{T}E)-\det(I+M)]/\det(I+M)$ by the fact that $\det(g^{T}E)=0$. In the following, we will give the one-soliton and two-soliton solutions. Firstly, for $N=1$, $\displaystyle A=$ $\displaystyle-e^{-2i\varphi}\frac{2{\rm Im}k_{1}}{(2{\rm Im}k_{1})e^{-2\theta_{1}}+e^{2\theta_{1}}(2{\rm Im}k)^{-1}},$ $\displaystyle\psi_{21}(0)=$ $\displaystyle\frac{e^{-2i\varphi}}{ik_{1}}\frac{2{\rm Im}k_{1}}{(2{\rm Im}k_{1})e^{-2\theta_{1}}+e^{2\theta_{1}}(2{\rm Im}k)^{-1}},$ $\displaystyle\psi_{22}(0)=$ $\displaystyle 1-\frac{e^{2\theta_{1}}}{i\bar{k}_{1}}\frac{1}{(2{\rm Im}k_{1})e^{-2\theta_{1}}+e^{2\theta_{1}}(2{\rm Im}k)^{-1}},.$ Let $2{\rm Im}k_{1}=e^{2\beta_{1}}$, then the above expressions give rise to one-soliton solution in semi-characteristic coordinates $\displaystyle A=$ $\displaystyle-\frac{1}{2}e^{2(\beta_{1}-i\varphi_{1})}{\rm sech}2(\theta_{1}-\beta_{1}),$ (4.12) $\displaystyle B=$ $\displaystyle 1+\frac{e^{2(\theta_{1}+\beta_{1})}}{2|k_{1}|^{2}}[{\rm sech}^{2}2(\theta_{1}-\beta_{1})\sinh 2(\theta_{1}-\beta_{1})-{\rm sech}2(\theta_{1}-\beta_{1})].$ It is readily verified that $\int_{-\infty}^{\infty}|A|^{2}d\xi={\rm Im}k_{1}/4$. One can find that the waveform of the envelope solitary wave travels to the left, and the carrier wave to right, with same velocity $1/|k_{1}|^{2}$. The graphic of one-soliton solution is shown in Figure 1. Figure 1: $k_{1}=1.04+0.6i,\kappa_{1}=0,\xi_{1}=0$. For the case of $N=2$, we have $\displaystyle\det(I+M)=$ $\displaystyle 1+\frac{|k_{1}-k_{2}|^{4}}{\prod\limits_{j,l=1}^{2}(k_{j}-\bar{k}_{l})^{2}}e^{2(z_{1}+z_{2}+\bar{z}_{1}+\bar{z}_{2})}-\frac{e^{2(z_{1}+\bar{z}_{1})}}{(k_{1}-\bar{k}_{1})^{2}}$ (4.13) $\displaystyle-\frac{e^{2(z_{2}+\bar{z}_{2})}}{(k_{2}-\bar{k}_{2})^{2}}-\frac{e^{2(z_{1}+\bar{z}_{2})}}{(k_{1}-\bar{k}_{2})^{2}}-\frac{e^{2(\bar{z}_{1}+z_{2})}}{(k_{2}-\bar{k}_{1})^{2}},$ $\displaystyle\det(I+M+$ $\displaystyle g^{T}E)-\det(I+M)$ $\displaystyle=$ $\displaystyle e^{2z_{1}}\left[1-\frac{(k_{1}-k_{2})^{2}}{(k_{1}-\bar{k}_{2})^{2}(k_{2}-\bar{k}_{2})^{2}}e^{2(z_{2}+\bar{z}_{2})}\right]$ $\displaystyle+e^{2z_{2}}\left[1-\frac{(k_{1}-k_{2})^{2}}{(k_{1}-\bar{k}_{1})^{2}(k_{2}-\bar{k}_{1})^{2}}e^{2(z_{1}+\bar{z}_{1})}\right],$ $\displaystyle\det(I+M+$ $\displaystyle h^{T}E)-\det(I+M)$ $\displaystyle=$ $\displaystyle\frac{e^{2z_{1}}}{k_{1}}\left[1-\frac{\bar{k}_{2}}{k_{2}}\frac{(k_{1}-k_{2})^{2}}{(k_{1}-\bar{k}_{2})^{2}(k_{2}-\bar{k}_{2})^{2}}e^{2(z_{2}+\bar{z}_{2})}\right]$ $\displaystyle+\frac{e^{2z_{2}}}{k_{2}}\left[1-\frac{\bar{k}_{1}}{k_{1}}\frac{(k_{1}-k_{2})^{2}}{(k_{1}-\bar{k}_{1})^{2}(k_{2}-\bar{k}_{1})^{2}}e^{2(z_{1}+\bar{z}_{1})}\right],$ and $\displaystyle 2\det(I+\tilde{M})$ $\displaystyle-\det(I+\tilde{M}+\bar{h}^{T}EK)$ $\displaystyle=$ $\displaystyle 1-\frac{k_{1}}{\bar{k}_{1}}\frac{e^{2(z_{1}+\bar{z}_{1})}}{(k_{1}-\bar{k}_{1})^{2}}-\frac{k_{2}}{\bar{k}_{2}}\frac{e^{2(z_{2}+\bar{z}_{2})}}{(k_{2}-\bar{k}_{2})^{2}}-\frac{k_{2}}{\bar{k}_{1}}\frac{e^{2(\bar{z}_{1}+z_{2})}}{(k_{2}-\bar{k}_{1})^{2}}$ $\displaystyle-\frac{k_{1}}{\bar{k}_{2}}\frac{e^{2(z_{1}+\bar{z}_{2})}}{(k_{1}-\bar{k}_{2})^{2}}+\frac{k_{1}k_{2}}{\bar{k}_{1}\bar{k}_{2}}\frac{|k_{1}-k_{2}|^{4}}{\prod\limits_{j,l=1}^{2}(k_{j}-\bar{k}_{l})^{2}}e^{2(z_{1}+z_{2}+\bar{z}_{1}+\bar{z}_{2})}.$ To obtain the soliton solutions, we introduce new functions $\omega_{j}$ $e^{2\omega_{j}}=\frac{k_{1}-k_{2}}{(k_{1}-\bar{k}_{j})(k_{2}-\bar{k}_{j})},\quad\omega_{j}=w_{j}+i\phi_{j},\quad j=1,2.$ (4.14) Under this definition, equations (4.13) can be rewritten as $\displaystyle\det(I+M)=$ $\displaystyle 4\frac{e^{2(\vartheta_{1}+\vartheta_{2})}}{|k_{1}-k_{2}|^{2}}\left\\{a\cosh 2\vartheta_{1}\cosh 2\vartheta_{2}+b\sinh 2\vartheta_{1}\sinh 2\vartheta_{2}\right.$ (4.15) $\displaystyle\quad\left.+2{\rm Im}k_{1}{\rm Im}k_{2}\cos\rho\right\\}$ $\displaystyle\equiv$ $\displaystyle\Delta D_{2},$ $\displaystyle\det(I+M$ $\displaystyle+g^{T}E)-\det(I+M)$ (4.16) $\displaystyle=$ $\displaystyle-4\frac{e^{2(\vartheta_{1}+\vartheta_{2})}}{|k_{1}-k_{2}|^{2}}\sqrt{a^{2}-b^{2}}\left[{\rm Im}k_{1}e^{2i(\phi_{2}-\varphi_{1})}\sinh 2(\vartheta_{2}+i\phi_{2})\right.$ $\displaystyle\qquad+\left.{\rm Im}k_{2}e^{2i(\phi_{1}-\varphi_{2})}\sinh 2(\vartheta_{1}+i\phi_{1})\right]$ $\displaystyle\equiv\Delta\Omega_{2},$ $\displaystyle\det(I+M$ $\displaystyle+h^{T}E)-\det(I+M)$ (4.17) $\displaystyle=$ $\displaystyle-4\frac{e^{2(\vartheta_{1}+\vartheta_{2})}}{|k_{1}-k_{2}|^{2}}\sqrt{a^{2}-b^{2}}\left[\frac{{\rm Im}k_{1}}{k_{1}}e^{2i(\tilde{\phi}_{2}-\varphi_{1})}\sinh 2(\vartheta_{2}+i\tilde{\phi}_{2})\right.$ $\displaystyle\qquad+\left.\frac{{\rm Im}k_{2}}{k_{2}}e^{2i(\tilde{\phi_{1}}-\varphi_{2})}\sinh 2(\vartheta_{1}+i\tilde{\phi}_{1})\right]$ $\displaystyle\equiv\Delta\Xi_{2},$ $\displaystyle 2\det(I+\tilde{M})-\det(I+\tilde{M}+\bar{h}^{T}gK)$ (4.18) $\displaystyle=4\frac{e^{2(\vartheta_{1}+\vartheta_{2})}}{|k_{1}-k_{2}|^{2}}\left\\{e^{i(\arg k_{1}+\arg k_{2})}[a\cosh(2\vartheta_{1}+i\arg k_{1})\cosh(2\vartheta_{2}+i\arg k_{2})\right.$ $\displaystyle\qquad\left.b\sinh(2\vartheta_{1}+i\arg k_{1})\sinh(2\vartheta_{2}+i\arg k_{2})]+2{\rm Im}k_{1}{\rm Im}k_{2}\cosh(\varepsilon+i\varrho)\right\\}$ $\displaystyle\quad\equiv\Delta\Lambda_{2},$ where $\displaystyle\vartheta_{j}=\theta_{j}+w_{j},\ \tilde{\phi}_{j}=\phi_{j}+\varpi_{j},\ \varpi_{j}=\arg k_{j},j=1,2$ $\displaystyle|k_{1}-k_{2}|^{2}=a+b,\ |k_{1}-\bar{k}_{2}|^{2}=a-b,$ $\displaystyle\ \rho=2(\varphi_{1}+\phi_{1}-\varphi_{2}-\phi_{2}),$ $\displaystyle\varrho=2(\varphi_{1}-\phi_{1}-\varphi_{2}+\phi_{2})-\varpi_{1}+\varpi_{2},$ $\displaystyle e^{\varepsilon}=\frac{|k_{1}|}{|k_{2}|},\quad\Delta=4\frac{e^{2(\vartheta_{1}+\vartheta_{2})}}{|k_{1}-k_{2}|^{2}}\cosh 2\vartheta_{1}\cosh 2\vartheta_{2},$ and $\displaystyle D_{2}=$ $\displaystyle a+b\tanh 2\vartheta_{1}\tanh 2\vartheta_{2}+2{\rm Im}k_{1}{\rm Im}k_{2}\cos\rho{\rm sech}2\vartheta_{1}{\rm sech}2\vartheta_{2},$ (4.19) $\displaystyle\Omega_{2}=$ $\displaystyle-\sqrt{a^{2}-b^{2}}[{\rm Im}k_{1}e^{2i(\phi_{2}-\varphi_{1})}{\rm sech}2\vartheta_{1}(\tanh 2\vartheta_{2}\cos 2\phi_{2}+i\sin 2\phi_{2})$ $\displaystyle\quad+{\rm Im}k_{2}e^{2i(\phi_{1}-\varphi_{2})}{\rm sech}2\vartheta_{2}(\tanh 2\vartheta_{1}\cos 2\phi_{1}+i\sin 2\phi_{1})],$ $\displaystyle\Xi_{2}=$ $\displaystyle-\sqrt{a^{2}-b^{2}}[\frac{{\rm Im}k_{1}}{k_{1}}e^{2i(\tilde{\phi}_{2}-\varphi_{1})}{\rm sech}2\vartheta_{1}(\tanh 2\vartheta_{2}\cos 2\tilde{\phi}_{2}+i\sin 2\tilde{\phi}_{2})$ $\displaystyle\quad+\frac{{\rm Im}k_{2}}{k_{2}}e^{2i(\tilde{\phi}_{1}-\varphi_{2})}{\rm sech}2\vartheta_{2}(\tanh 2\vartheta_{1}\cos 2\tilde{\phi}_{1}+i\sin 2\tilde{\phi}_{1})],$ $\displaystyle\Lambda_{2}=$ $\displaystyle e^{i(\varpi_{1}+\varpi_{2})}[a(\cos\varpi_{1}\cos\varpi_{2}-\tanh 2\vartheta_{1}\tanh 2\vartheta_{2}\sin\varpi_{1}\sin\varpi_{2})$ $\displaystyle\quad+b(\tanh 2\vartheta_{1}\tanh 2\vartheta_{2}\cos\varpi_{1}\cos\varpi_{2}-\sin\varpi_{1}\sin\varpi_{2})$ $\displaystyle\quad+ia(\tanh 2\vartheta_{2}\cos\varpi_{1}\sin\varpi_{2}+\tanh 2\vartheta_{1}\sin\varpi_{1}\cos\varpi_{2})$ $\displaystyle\quad+ib(\tanh 2\vartheta_{1}\cos\varpi_{1}\sin\varpi_{2}+\tanh 2\vartheta_{2}\sin\varpi_{1}\cos\varpi_{2})]$ $\displaystyle\qquad+2{\rm Im}k_{1}{\rm Im}k_{2}\cosh(\varepsilon+i\varrho){\rm sech}2\vartheta_{1}{\rm sech}2\vartheta_{2}.$ Hence, the two-soliton solution in semi-characteristic coordinates of the AB equations (3.14) takes the form $A=\frac{\Omega_{2}}{D_{2}},\quad B=\frac{|\Lambda_{2}|^{2}-|\Xi_{2}|^{2}}{D_{2}^{2}}.$ (4.20) The Figure 2 describes two-soliton waves of $|A|$ and $B$ traveling to left, and Figure 3 (from left to right) shows collision of the two-soliton from $|A|$ at $\tau_{1}=-3,\tau_{2}=0,\tau_{3}=3$; Figure 4 (from left to right) shows collision of the two-soliton from $B$ at $\tau_{1}=-4,\tau_{2}=-1,\tau_{3}=2$. (In the figures, for convenience, we take variable $\xi$ as $x$, and $\tau$ as $t$.) Figure 2: $k_{1}=1.04+0.6i,k_{2}=2+0.4\mathrm{i},\kappa_{j}=0,\xi_{j}=0,j=1,2$. Figure 3: $k_{1}=1.04+0.6i,k_{2}=2+0.4\mathrm{i},\kappa_{j}=0,\xi_{j}=0,j=1,2$. Figure 4: $k_{1}=1.04+0.6i,k_{2}=2+0.4\mathrm{i},\kappa_{j}=0,\xi_{j}=0,j=1,2$. Note that the representations (4.15)-(4.18) can be rewritten into another forms $\displaystyle\det(I+M)=\tilde{\Delta}\tilde{D_{2}},\quad\det(I+M+g^{T}E)-\det(I+M)=\tilde{\Delta}\tilde{\Omega}_{2}$ (4.21) $\displaystyle\det(I+M+h^{T}E)-\det(I+M)=\tilde{\Delta}\tilde{\Xi}_{2},$ $\displaystyle 2\det(I+\tilde{M})-\det(I+\tilde{M}+\bar{h}^{T}gK)=\tilde{\Delta}\tilde{\Lambda}_{2},$ where $\tilde{\Delta}=4\frac{e^{2(\vartheta_{1}+\vartheta_{2})}}{|k_{1}-k_{2}|^{2}}\sinh 2\vartheta_{1}\sinh 2\vartheta_{2},$ and $\displaystyle\tilde{D_{2}}=$ $\displaystyle b+a\coth 2\vartheta_{1}\coth 2\vartheta_{2}+2{\rm Im}k_{1}{\rm Im}k_{2}\cos\rho{\rm csch}2\vartheta_{1}{\rm csch}2\vartheta_{2},,$ (4.22) $\displaystyle\tilde{\Omega}_{2}=$ $\displaystyle-\sqrt{a^{2}-b^{2}}[{\rm Im}k_{1}e^{2i(\phi_{2}-\varphi_{1})}{\rm csch}2\vartheta_{1}(\cos 2\phi_{2}+i\coth 2\vartheta_{2}\sin 2\phi_{2})$ $\displaystyle\quad+{\rm Im}k_{2}e^{2i(\phi_{1}-\varphi_{2})}{\rm csch}2\vartheta_{2}(\cos 2\phi_{1}+i\coth 2\vartheta_{1}\sin 2\phi_{1})],$ $\displaystyle\tilde{\Xi}_{2}=$ $\displaystyle-\sqrt{a^{2}-b^{2}}[\frac{{\rm Im}k_{1}}{k_{1}}e^{2i(\tilde{\phi}_{2}-\varphi_{1})}{\rm csch}2\vartheta_{1}(\cos 2\tilde{\phi}_{2}+i\coth 2\vartheta_{2}\sin 2\tilde{\phi}_{2})$ $\displaystyle\quad+\frac{{\rm Im}k_{2}}{k_{2}}e^{2i(\tilde{\phi}_{1}-\varphi_{2})}{\rm csch}2\vartheta_{2}(\cos 2\tilde{\phi}_{1}+i\coth 2\vartheta_{1}\sin 2\tilde{\phi}_{1})],$ $\displaystyle\tilde{\Lambda}_{2}=$ $\displaystyle e^{i(\varpi_{1}+\varpi_{2})}[a(\coth 2\vartheta_{1}\coth 2\vartheta_{2}\cos\varpi_{1}\cos\varpi_{2}-\sin\varpi_{1}\sin\varpi_{2})$ $\displaystyle\quad+b(\cos\varpi_{1}\cos\varpi_{2}-\coth 2\vartheta_{1}\coth 2\vartheta_{2}\sin\varpi_{1}\sin\varpi_{2})$ $\displaystyle\quad+ia(\coth 2\vartheta_{1}\cos\varpi_{1}\sin\varpi_{2}+\coth 2\vartheta_{2}\sin\varpi_{1}\cos\varpi_{2})$ $\displaystyle\quad+ib(\coth 2\vartheta_{2}\cos\varpi_{1}\sin\varpi_{2}+\coth 2\vartheta_{1}\sin\varpi_{1}\cos\varpi_{2})]$ $\displaystyle\qquad+2{\rm Im}k_{1}{\rm Im}k_{2}\cosh(\varepsilon+i\varrho){\rm csch}2\vartheta_{1}{\rm csch}2\vartheta_{2}.$ Hence, we have another form of two-soliton solution of the AB equations (3.14) $A=\frac{\tilde{\Omega}_{2}}{\tilde{D_{2}}},\quad B=\frac{|\tilde{\Lambda}_{2}|^{2}-|\tilde{\Xi}_{2}|^{2}}{\tilde{D_{2}}^{2}}.$ (4.23) It is remarked that the functions $\vartheta_{j}$ can be rewritten as $\vartheta_{j}={\rm Im}k_{j}(\xi+\frac{\tau}{|k_{j}|^{2}}+\xi_{j}),$ (4.24) where $\xi_{j}$ is a certain constant. We note that the denominators $D_{2}$ and $\tilde{D}_{2}$ are not zero, because they are derived from the determinant of an invertible matrix. It is remarked that the graphic of solution (4.23) has the same form as in Figure 2. Now, we will derive the $N$-soliton solutions of (3.14). By virtue of the method of linear algebra, we know that $\det(I+M)=1+\sum\limits_{\sigma=1}^{N}\sum\limits_{1\leq j_{1}\leq\cdots\leq j_{\sigma}\leq N}M(j_{1},\cdots,j_{\sigma}),$ (4.25) where $M(j_{1},\cdots,j_{\sigma})$ denotes the principal minor of $N\times N$ matrix $M$ obtained by taking all the elements of $(j_{1},\cdots,j_{\sigma})$-th columns and rows. By using the Cauchy-Binet formula, we can calculate the value of $M(j_{1},\cdots,j_{\sigma})$ $M(j_{1},\cdots,j_{\sigma})=\sum\limits_{1\leq r_{1}\leq\cdots\leq r_{\sigma}\leq N}K\left(\begin{aligned} j_{1},&j_{2},&\cdots,&j_{\sigma}\\\ r_{1},&r_{2},&\cdots,&r_{\sigma}\end{aligned}\right)\bar{K}\left(\begin{aligned} r_{1},&r_{2},&\cdots,&r_{\sigma}\\\ j_{1},&j_{2},&\cdots,&j_{\sigma}\end{aligned}\right),$ (4.26) where $K\left(\begin{aligned} j_{1},&j_{2},&\cdots,&j_{\sigma}\\\ r_{1},&r_{2},&\cdots,&r_{\sigma}\end{aligned}\right)$ denotes the determinant of the submatrix obtained by preserving the $(j_{1},j_{2},\cdots,j_{\sigma})$-th rows and $(r_{1},r_{2},\cdots,r_{\sigma})$-th columns of $K$; $\bar{K}\left(\begin{aligned} \cdot\\\ \cdot\end{aligned}\right)$ denotes similarly the determinant of the submatrix for $\bar{K}$. It is noted that $K$ is Cauchy type matrices, then $M(j_{1},\cdots,j_{\sigma})=\sum\limits_{1\leq r_{1}\leq\cdots\leq r_{\sigma}\leq N}(-1)^{\sigma}\prod\limits_{l<l^{\prime},m<m^{\prime}}\frac{|k_{l}-k_{l^{\prime}}|^{2}|\bar{k}_{m^{\prime}}-\bar{k}_{m}|^{2}}{(k_{l}-\bar{k}_{m})^{2}}e^{2(z_{l}+\bar{z}_{m})},$ (4.27) where $m\in\\{r_{1},r_{2},\cdots,r_{\sigma}\\};l,l^{\prime}\in\\{j_{1},j_{2},\cdots,j_{\sigma}\\}$ and $\sigma=1,\cdots,N$. Hence, we obtain the explicit representation of $\det(I+M)$ from (4.25) and (4.27). It is readily verified that $\det(I+\tilde{M})=\det(I+M)$. In the following, we will evaluate the numerator of the expressions in (4.10). To this end, let $C=M+g^{T}E=GH,$ (4.28) where $G=(g^{T},K)=(G_{nm})$ and $H=\left(\begin{array}[]{c}E\\\ \bar{K}\end{array}\right)=(H_{mn})$, with $n\in\\{1,\cdots,N\\},m\in\\{0,1,\cdots,N\\}$. Hence, $\det(I+C)$ takes the same expansion as (4.25), where $C(j_{1},\cdots,j_{\sigma})=\sum\limits_{0\leq r_{1}\leq\cdots\leq r_{\sigma}\leq N}G\left(\begin{aligned} j_{1},&j_{2},&\cdots,&j_{\sigma}\\\ r_{1},&r_{2},&\cdots,&r_{\sigma}\end{aligned}\right)H\left(\begin{aligned} r_{1},&r_{2},&\cdots,&r_{\sigma}\\\ j_{1},&j_{2},&\cdots,&j_{\sigma}\end{aligned}\right).$ (4.29) Now, we split the summation on the right hand side of the above equation into two parts, the first one is $r_{1}=0$, and the second one is $r_{1}\geq 1$. It is noted that the second one is exactly equal to $M(j_{1},\cdots,j_{\sigma})$. Thus, the numerator of the expression of $r$ in (4.10) takes the value $\displaystyle\det(I+M+g^{T}E)-\det(I+M)$ $\displaystyle=\sum\limits_{\sigma=1}^{N}\sum\limits_{(1\leq j_{1}\leq\cdots\leq j_{\sigma}\leq N)}\sum\limits_{(1\leq r_{2}\leq\cdots\leq r_{\sigma}\leq N)}G\left(\begin{aligned} j_{1},&j_{2},&\cdots,&j_{\sigma}\\\ 0,&r_{2},&\cdots,&r_{\sigma}\end{aligned}\right)H\left(\begin{aligned} 0,&r_{2},&\cdots,&r_{\sigma}\\\ j_{1},&j_{2},&\cdots,&j_{\sigma}\end{aligned}\right)$ $\displaystyle=\sum\limits_{\sigma=1}^{N}\sum\limits_{(1\leq j_{1}\leq\cdots\leq j_{\sigma}\leq N)}\sum\limits_{(1\leq r_{2}\leq\cdots\leq r_{\sigma}\leq N)}(-1)^{\sigma-1}\prod\limits_{l<l^{\prime},m<m^{\prime}}\frac{|k_{l}-k_{l^{\prime}}|^{2}|\bar{k}_{m^{\prime}}-\bar{k}_{m}|^{2}}{(k_{l}-\bar{k}_{m})^{2}}e^{2(z_{l}+\bar{z}_{m})},$ where $m,m^{\prime}\in\\{r_{2},\cdots,r_{\sigma}\\};l,l^{\prime}\in\\{j_{1},j_{2},\cdots,j_{\sigma}\\}.$ Similarly, for $\psi_{21}(0)$ in (4.10), we have $\displaystyle\det(I$ $\displaystyle+M+h^{T}E)-\det(I+M)$ (4.30) $\displaystyle=\sum\limits_{\sigma=1}^{N}\sum\limits_{(1\leq j_{1}\leq\cdots\leq j_{\sigma}\leq N)}\sum\limits_{(1\leq r_{2}\leq\cdots\leq r_{\sigma}\leq N)}$ $\displaystyle\quad\times(-1)^{\sigma-1}\prod\limits_{l<l^{\prime},m<m^{\prime}}\frac{\bar{k}_{m}}{k_{l}}\frac{|k_{l}-k_{l^{\prime}}|^{2}|\bar{k}_{m^{\prime}}-\bar{k}_{m}|^{2}}{(k_{l}-\bar{k}_{m})^{2}}e^{2(z_{l}+\bar{z}_{m})},$ where $(m,m^{\prime}\in\\{r_{2},\cdots,r_{\sigma}\\};l,l^{\prime}\in\\{j_{1},j_{2},\cdots,j_{\sigma}\\}).$ While for $\psi_{22}(0)$, let $\displaystyle\tilde{M}+\bar{h}^{T}EK=(\bar{h}^{T},\bar{K})\left(\begin{array}[]{c}EK\\\ K\end{array}\right),$ then $\displaystyle\det(I+\tilde{M}+\bar{h}^{T}gK)-\det(I+\tilde{M})$ (4.31) $\displaystyle=\sum\limits_{\sigma=1}^{N}\sum\limits_{(1\leq j_{1}\leq\cdots\leq j_{\sigma}\leq N)}\sum\limits_{(1\leq r_{2}\leq\cdots\leq r_{\sigma}\leq N)}(-1)^{\sigma-1}\sum\limits_{r_{0}\in\hat{\sigma}}\prod\limits_{l,m}\frac{k_{r_{0}}-k_{m}}{k_{r_{0}}-\bar{k}_{l}}e^{2z_{r_{0}}}$ $\displaystyle\qquad\times\prod\limits_{l,m}\frac{k_{m}}{\bar{k}_{l}}\frac{e^{2(\bar{z}_{m}+z_{l})}}{(k_{m}-\bar{k}_{l})^{2}}\prod\limits_{l<l^{\prime},m<m^{\prime}}(\bar{k}_{l}-\bar{k}_{l^{\prime}})^{2}(k_{m}-k_{m^{\prime}})^{2}.$ where $m,m^{\prime}\in\\{r_{2},\cdots,r_{\sigma}\\};l,l^{\prime}\in\\{j_{1},j_{2},\cdots,j_{\sigma}\\}$ and $\hat{\sigma}=\\{1,2,\cdots,N\\}\setminus\\{r_{2},\cdots,r_{\sigma}\\}$ denotes a subset of the set $\\{1,2,\cdots,N\\}$. It is remarked that the $N$-soliton solution of the AB equations can be obtained from (4.5),(4.10) and (4.25)-(4.30). ## 5 Asymptotic behaviors of the $N$-soliton solution In this section, we discuss the asymptotic behaviors of the given $N$-solion solution. To this end, we assume that $1<|k_{1}|<|k_{2}|<\cdots<|k_{N}|,\quad{\rm Im}k_{j}>0.$ It is noted that $g_{j}=e^{2iz_{j}}=e^{2\theta_{j}}e^{-2i\varphi},\quad\theta_{j}={\rm Im}k_{j}(\xi-v_{j}\tau-\xi_{j}),$ (5.1) where $v_{j}=-|k_{j}|^{-2}$ and $\xi_{j}$ is a certain real constant. Now the region of the point $\xi=\xi_{j}+v_{j}\tau$ is denoted by $\Sigma_{j}$. Then, as $\tau\rightarrow-\infty$, these regions are disjoint and distribute from left to right as $\Sigma_{N},~{}\Sigma_{N-1},~{}\cdots,~{}\Sigma_{1},$ in view of $v_{1}<v_{2}<\cdots<v_{N}$. In the region $\Sigma_{j}$, one may find that $\displaystyle\xi-\xi_{n}-v_{n}\tau\rightarrow+\infty,$ (5.2) $\displaystyle|g_{n}|\rightarrow+\infty,\quad n>j;$ and $\displaystyle\xi-\xi_{m}-v_{m}\tau\rightarrow-\infty,$ (5.3) $\displaystyle|g_{m}|\rightarrow 0,\quad m<j.$ Thus, in the region $\Sigma_{j}$, as $\tau\rightarrow-\infty$, we find $\displaystyle\det(I+M)\approx K\left(\begin{aligned} j+1,j+2,\cdots,N\\\ j+1,j+2,\cdots,N\end{aligned}\right)\bar{K}\left(\begin{aligned} j+1,j+2,\cdots,N\\\ j+1,j+2,\cdots,N\end{aligned}\right)$ (5.4) $\displaystyle\qquad+K\left(\begin{aligned} j,j+1,\cdots,N\\\ i,j+1,\cdots,N\end{aligned}\right)\bar{K}\left(\begin{aligned} j,j+1,\cdots,N\\\ j,j+1,\cdots,N\end{aligned}\right)$ $\displaystyle=\left(1+\frac{e^{4\theta_{j}}}{|k_{j}-\bar{k}_{j}|^{2}}\prod\limits_{l=j+1}^{N}\frac{|k_{j}-k_{l}|^{4}}{|k_{j}-\bar{k}_{l}|^{4}}\right)\prod\limits_{j+1\leq l<l^{\prime}\leq N}\frac{e^{4\theta_{l}}}{|k_{l}-\bar{k}_{l}|^{2}}\frac{|k_{l}-k_{l^{\prime}}|^{4}}{|k_{l}-\bar{k}_{l^{\prime}}|^{4}},$ and $\displaystyle\det(I$ $\displaystyle+M+g^{T}E)-\det(I+M)$ (5.5) $\displaystyle\approx G\left(\begin{aligned} j,j+1,\cdots,N\\\ 0,j+1,\cdots,N\end{aligned}\right)H\left(\begin{aligned} 0,j+1,\cdots,N\\\ j,j+1,\cdots,N\end{aligned}\right)$ $\displaystyle=e^{2\theta_{j}}e^{-2i\varphi_{j}}\prod\limits_{l=j+1}^{N}\frac{(k_{j}-k_{l})^{2}}{(k_{j}-\bar{k}_{l})^{2}}\prod\limits_{j+1\leq l<l^{\prime}\leq N}\frac{e^{4\theta_{l}}}{|k_{l}-\bar{k}_{l}|^{2}}\frac{|k_{l}-k_{l^{\prime}}|^{4}}{|k_{l}-\bar{k}_{l^{\prime}}|^{4}}.$ Equations (5.4) and (5.5) imply that the solution $A$ in $\Sigma_{j}$ has the following asymptotic behavior $A\approx-i{\rm Im}k_{j}e^{-2i(\varphi_{j}+\delta_{j}^{(-)})}{\rm sech}2(\theta_{j}+\gamma_{j}^{(-)}),\quad\tau\rightarrow-\infty,$ (5.6) where $\delta_{j}^{(-)}$ and $\gamma_{j}^{(-)}$ are defined by the following representation $\frac{1}{\bar{k}_{j}-k_{j}}\prod\limits_{l=j+1}^{N}\frac{(\bar{k}_{j}-\bar{k}_{l})^{2}}{(\bar{k}_{j}-k_{l})^{2}}=e^{2(\gamma_{j}^{(-)}+i\delta_{j}^{(-)})}.$ (5.7) Similarly, as $\tau\rightarrow+\infty$, the regions are distributed as $\Sigma_{1},\cdots,\Sigma_{N}$. In this case, the leading term of $\det(I+M)$ in (5.4) will involve $\\{1,\cdots,j-1;1,\cdots,j-1,j\\}$, instead of $\\{j+1,\cdots,N;j,j+1,\cdots,N\\}$. Also, in the leading term of (5.5) is now $\\{1,2,\cdots,j-1,j;0,1,\cdots,j-1\\}$. Thus in the region $\Sigma_{j}$, we find $A\approx-i{\rm Im}k_{j}e^{-2i(\varphi_{j}+\delta_{j}^{(+)})}{\rm sech}2(\theta_{j}+\gamma_{j}^{(+)}),\quad\tau\rightarrow+\infty,$ (5.8) and $\frac{1}{\bar{k}_{j}-k_{j}}\prod\limits_{l=1}^{j-1}\frac{(\bar{k}_{j}-\bar{k}_{l})^{2}}{(\bar{k}_{j}-k_{l})^{2}}=e^{2(\gamma_{j}^{(+)}+i\delta_{j}^{(+)})}.$ (5.9) From (5.6) to (5.9), one may find that the $N$-solitons with different velocity split as $\tau\rightarrow-\infty$, after mutual collisions, split again as $\tau\rightarrow+\infty$. In this solitary wave collisions, the form and velocity of each solitary wave do not change, only the center and phase change from $\delta_{j}^{(-)},\gamma_{j}^{(-)}$ to $\delta_{j}^{(+)},\gamma_{j}^{(+)}$ for the $j$-th soliton. Similar considerations apply to $\psi_{21}(0)$ and $\psi_{22}(0)$, we find $\psi_{21}(0)\approx\left\\{\begin{aligned} &e^{-i2(\varphi_{j}+\varrho_{j}^{(-)})}\sin\varpi_{j}{\rm sech}2(\theta_{j}+\gamma_{j}^{(-)}),&\tau\rightarrow-\infty,\\\ &e^{-i2(\varphi_{j}+\varrho_{j}^{(+)})}\sin\varpi_{j}{\rm sech}2(\theta_{j}+\gamma_{j}^{(+)}),&\tau\rightarrow+\infty,\\\ \end{aligned}\right.$ (5.10) where $\varrho_{j}^{(\pm)}=\delta_{j}^{(\pm)}+\rho_{j}^{(\pm)}+\frac{\varpi_{j}}{2},\varpi_{j}=\arg k_{j},\rho_{j}^{(-)}=\sum\limits_{l=j+1}^{N}\varpi_{l},\rho_{j}^{(+)}=\sum\limits_{l=1}^{j-1}\varpi_{l}$, and $\psi_{22}(0)\approx\left\\{\begin{aligned} &1-e^{-i2(\varphi_{j}+\tilde{\varrho}_{j}^{(-)})}e^{2(\theta_{j}+\mu_{j}^{(-)})}{\rm sech}2(\theta_{j}+\gamma_{j}^{(-)}),&\tau\rightarrow-\infty,\\\ &1-e^{-i2(\varphi_{j}+\tilde{\varrho}_{j}^{(+)})}e^{2(\theta_{j}+\mu_{j}^{(+)})}{\rm sech}2(\theta_{j}+\gamma_{j}^{(+)}),&\tau\rightarrow+\infty,\\\ \end{aligned}\right.$ (5.11) with $\varrho_{j}^{(\pm)}=\delta_{j}^{(\pm)}+\nu_{j}^{(\pm)}$ and $\mu_{j}^{(\pm)},\nu_{j}^{(\pm)}$ defined by $\displaystyle\frac{1}{2\bar{k}_{j}}\prod\limits_{l=j+1}^{N}\frac{\bar{k}_{j}-\bar{k}_{l}}{\bar{k}_{j}-k_{l}}\prod\limits_{l=j+1}^{N}\frac{k_{j}(k_{j}-\bar{k}_{l})(\bar{k}_{j}-\bar{k}_{l})}{\bar{k}_{j}(\bar{k}_{j}-k_{l})(k_{j}-k_{l})}=e^{2(\mu_{j}^{(-)}+i\nu_{j}^{(-)})},$ $\displaystyle\frac{1}{2\bar{k}_{j}}\prod\limits_{l=1}^{j-1}\frac{\bar{k}_{j}-\bar{k}_{l}}{\bar{k}_{j}-k_{l}}\prod\limits_{l=1}^{j-1}\frac{k_{j}(k_{j}-\bar{k}_{l})(\bar{k}_{j}-\bar{k}_{l})}{\bar{k}_{j}(\bar{k}_{j}-k_{l})(k_{j}-k_{l})}=e^{2(\mu_{j}^{(+)}+i\nu_{j}^{(+)})}.$ Hence, the asymptotic behavior of the solution $B$ can be characterized by (4.5) and (5.10), (5.11), and the solitary wave collisions can be discussed similarly. ## 6 Conclusions and remarks It is remarked that the $\bar{\partial}$-approach is starting from the dispersion relations of the AB system, which are introduced in linear equations of the spectral transform matrix $R$ of the $\bar{\partial}$-problem. By virtue of the $\bar{\partial}$-dressing method, we obtain two linear spectral problems, which reduce to the Lax pair of the AB system by using of the associated symmetry conditions. We note that these symmetries about potential $Q$ and eigenfunction $\psi$ play a crucial role in the determination of the form of spectral transform matrix $R$. The solutions in closed form, including soliton solutions, are obtained by virtue of the algebraic approach. From section 5, we find that the envelope solitary wave is $v_{R}\equiv-1/|k_{j}|^{2}$, and the velocity of the carrier wave is $v_{I}\equiv 1/|k_{j}|^{2}$. Furthermore, the peculiarity of present solitons is that the center and the phase difference of solitons are dependent on the discrete spectrum, which is determined by the symmetry conditions of AB system. In addition, the present solitons are stable for $|k_{j}|>1$ by the results in [6, 7, 9], for the reason that the velocity of the envelope solitary wave $v_{R}$ admits $-1<v_{R}<0$. Acknowledgments Project 11001250 and 10871182 were supported by the National Natural Science Foundation of China. ## References * [1] Pedlosky J 1970 Finite-amplitude baroclinic waves J. Atmos. Sci. 27 15-30 * [2] Pedlosky J 1972 Finite amplitude baroclinic wave packets J. Atmos. Sci. 29 680-6 * [3] Moroz I M 1981 Slowly modulated baroclinic waves in a three-layer model J. Atmos. Sci. 38 600-8 * [4] Moroz I M and Brindley J 1981 Evolution of baroclinic wave packets in a flow with continuous shear and stratification Proc. Roy. Soc. London A 377 397-404 * [5] Dodd R K, Eilbck J C, Gibbon J D and Morris H C 1982 Solitons and Nonlinear Wave Equations (New York Academic) * [6] Gibbon J D, James I N and Moroz I 1979 An example of soliton behavior in a rotating baroclinic fluid Proc. Roy. Soc. London A 367 219-37 * [7] Gibbon J D and McGuiness M J 1981 Amplitude equations at the critical points of unstable dispersive physical systems Proc. Roy. Soc. A 337 185-219 * [8] Kamchatnov A M and Pavlov M V 1995 Periodic solutions and Whitham equations for the AB system J. Phys. A: Math, Gen. 28 3279-88 * [9] Tan B and Boyd J P, 2002 Envelope solitary waves and periodic waves in the AB equationss Stud. Appl. Math. 109 67-87 * [10] Guo R and Tian B 2012 Integrability aspects and soliton solutions for an inhomogeneous nonlinear system with symbolic computation Commun. Nonlinear Sci. Numer. Simulat 17 3189-203 * [11] Zakharov V E and Manakov S V 1985 The construction of multidimensional nonlinear integrable systems and their solutions Func. Anal. Appl. 19 89-101 * [12] Bogdanov L V and Manakov S V 1988 The nonlocal $\bar{\partial}$-problem and (2+1)-dimensional soliton equations, J. Phys. A: Math. Gen. 21 L537-44 * [13] Beals R and Coifman R R 1989 Linear spectral problems, non-linear equations and the $\bar{\partial}$-method, Inverse Problems 5 87-130 * [14] Zakharov V E, 1990 On the Dressing Method, in Inverse Problems in Action (ed. Sabatier P S, Springer-Verlag, Berlin) 602-23 * [15] Santini P M 2003 Transformations and reductions of integrable nonlinear equations and the $\bar{\partial}$-problem Geometry And Integrability, Ed.Lionel Mason, Yavuz Nutku, (Cambridge University Press) * [16] Konopelchenko B G 1993 Solitons in Multidimensions (World Scientific, Singapore) * [17] Doktorov E V and Lebel S B 2007 A Dressing Method in Mathematical Physics Springer * [18] Zhu J Y and Geng X G 2012 A hierarchy of coupled evolution equations with self-consistent sources and the dressing method, J. Phys. A: Math. Theor. 46 035204 * [19] Huang N N, 1996 Theory of Solitions and Method of Perturbations, (Shanghai Scientific and Technological Education Publishing House, SHANGHAI) (In Chinese).
arxiv-papers
2013-04-15T13:45:10
2024-09-04T02:49:44.345517
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Junyi Zhu, Xianguo Geng", "submitter": "Junyi Zhu", "url": "https://arxiv.org/abs/1304.4096" }
1304.4127
# Axion mechanism of Sun luminosity, dark matter and extragalactic background light V.D. Rusov1111Corresponding author: Vitaliy D. Rusov, E-mail: [email protected], I.V. Sharf1, V.A. Tarasov1, M.V. Eingorn1,2, V.P. Smolyar1, D.S. Vlasenko1, T.N. Zelentsova1, E.P. Linnik1, M.E. Beglaryan1 ###### Abstract We show the existence of the strong inverse correlation between the temporal variations of the toroidal component of the magnetic field in the solar tachocline (the bottom of the convective zone) and the Earth magnetic field (the Y-component). The possibility that the hypothetical solar axions, which can transform into photons in external electric or magnetic fields (the inverse Primakoff effect), can be the instrument by which the magnetic field of the Sun convective zone modulates the magnetic field of the Earth is considered. We propose the axion mechanism of Sun luminosity and ”solar dynamo – geodynamo” connection, where the energy of one of the solar axion flux components emitted in M1 transition in 57Fe nuclei is modulated at first by the magnetic field of the solar tachocline zone (due to the inverse coherent Primakoff effect) and after that is resonantly absorbed in the core of the Earth, thereby playing the role of the energy modulator of the Earth magnetic field. Within the framework of this mechanism estimations of the strength of the axion coupling to a photon ($g_{a\gamma}=7.07\cdot 10^{-11}~{}GeV^{-1}$), the axion-nucleon coupling ($g_{an}=3.20\cdot 10^{-7}$), the axion-electron coupling ($g_{ae}=5.28\cdot 10^{-11}$) and the axion mass ($m_{a}=17~{}eV$) have been obtained. It is also shown that the claimed axion parameters do not contradict any known experimental and theoretical model-independent limitations. We consider the effect of dark matter in the form of 17 eV axions on the extragalactic back-ground light. Our treatment is based on theoretical results by Overduin and Wesson (Phys. Rep. 402 (2004) 267), who described the axion halos as a luminous element of a pressureless perfect fluid in the standard Friedman-Robertson-Walker universe basing on the assumption that axions are clustered in Galactic halos with nonzero velocity dispersions. We find that the spectral intensity $I_{\lambda}(\lambda_{0})$ of the extragalactic background radiation from decaying axions ($m_{a}=17~{}eV$, $c_{a\gamma\gamma}=0.02$) as a function of the observed wavelength $\lambda_{0}$ is in good agreement with the known experimental data for the near ultraviolet, optical and near infrared bands (1500-20000 Å). In the framework of such approach it is shown that the present density parameter $\Omega_{a}$ of thermal axions satisfies the inequality $0.12\leqslant\Omega_{a}\leqslant 0.25$ and is comparable to the density parameter of dark matter. 1Department of Theoretical and Experimental Nuclear Physics, Odessa National Polytechnic University, 1 Shevchenko ave., Odessa 65044, Ukraine 2North Carolina Central University, 1801 Fayetteville st., Durham, North Carolina 27707, USA ###### Contents 1. 1 Introduction 2. 2 Magnetic field of solar tachocline zone and axion mechanism of the solar dynamo – geodynamo connection 1. 2.1 Implication from ”axion helioscope” technique (axion-photon interaction) 2. 2.2 Axion conversion in the Sun magnetic field and the plasma mass of photon 3. 2.3 Channeling of $\gamma$-quanta in periodical structure 4. 2.4 Channeling of $\gamma$-quanta along the magnetic flux tubes (waveguides) in Solar convective zone 5. 2.5 Invisible axions and Solar Equator effect 6. 2.6 Power required to maintain the Earth magnetic field and nuclear georeactor 3. 3 Axion mechanism of Sun luminosity and CUORE experiment 4. 4 Axion mechanism of Sun luminosity and other important experiments 1. 4.1 Axion coupling to a photon 2. 4.2 Axion coupling to an electron 5. 5 Axion dark matter and extragalactic background light 6. 6 Relic axion-like archion and cosmic infrared background 1. 6.1 Decaying axion and relic archion as two components of luminous dark matter 7. 7 Summary and Conclusion 1. 7.1 Axion mechanism of Sun luminosity 2. 7.2 Invisible axions and Solar Equator effect 3. 7.3 Axion mechanism of the solar dynamo – geodynamo connection 4. 7.4 Axion-like particle and extragalactic background light 5. 7.5 Plausible dark matter candidate: hadronic axion or axion-like arhion? 8. A Appendix I. Effect of $\gamma$-quanta channeling in periodic structures 1. A.1 Statement of a problem 2. A.2 Solution of the model problem 3. A.3 Determination of the absorption coefficient angular dependence 4. A.4 Channeling effect onset conditions 5. A.5 On the account of an absorption impact on X-ray intensity when channeling through the solar layered structures 9. B Appendix II. On a possibility of the layered structures formation in the solar convective zone on the basis of the magnetic flux tubes superlattices 1. B.1 Zonal jet streams 2. B.2 Some properties of the magnetic flux tubes in Sun convective zone 3. B.3 The self-confinement of force-free magnetic fields and energy conservation law. 4. B.4 Hydrostatic equilibrium and a sharp tube medium cooling effect 5. B.5 Ideal photon channeling (without absorption) conditions inside the magnetic flux tubes ## 1 Introduction In the recent paper by Alessandria et al. the results of CUORE experimental search for axions from the solar core from the 14.4 keV M1 ground-state nuclear transition in 57Fe were presented [ref001]. The detection technique employed a search for a peak in the energy spectrum at 14.4 keV when an axion is absorbed by an electron via the axio-electric effect. The cross-section for this process is proportional to the photoelectric absorption cross-section for photons. In this pilot experiment 43.65 $kg\cdot d$ of data were analyzed resulting in a lower bound on the Peccei-Quinn energy scale of $f_{a}\geqslant 0.76\cdot 10^{6}~{}GeV$ for the value for the flavor-singlet axial vector matrix element of $S=0.55$; bounds are presented in the graph for values $0.15\leqslant S\leqslant 0.55$ (Fig. 1). With the numbers quoted in the text, the limit on $f_{a}$ translates into the axion mass limit $m_{a}<8~{}eV$, significantly more stringent than in the recent results obtained with 57Fe detectors [ref002, ref003] and by the Borexino experiment [ref004, ref005]. Figure 1: Expected rate in the axion region as a function of the $f_{a}$ axion constant for different values of the nuclear $S$ parameter. The horizontal line indicates the upper limit obtained in CUORE experiment ($f_{a}\sim 0.76\cdot 10^{6}~{}GeV$ for $S$ = 0.55) [ref001]. Despite the fine and elegant experimental implementation of the idea of detecting the solar axions through the axio-electric effect in TeO2 bolometers (CUORE detection technique [ref001]), a number of fundamental questions regarding the appropriateness of some assumptions used in the problem statement arises immediately. The first one is rather obvious and lies in the following. Why is the 14.4 keV M1 ground-state nuclear transition in solar 57Fe chosen as the main mechanism of solar axions production in CUORE experiment, whereas there are other solar axion production mechanisms discussed in scientific literature in detail which also make their respective contributions into the 14.4 keV axions flux, such as the so called Primakoff effect (e.g. [ref002, ref003]), bremsstrahlung and the Compton process (e.g. [ref006, ref007]) (see Fig. 2)? From the analysis of Fig. 2a, where the spectra of the processes under discussion normalized by the corresponding constants are shown, it follows that this question is absolutely nontrivial, and the answer depends on the knowledge of the values of all these constants simultaneously. In fact, as it will be shown below, the real solar axions spectra may look like the ones depicted on Fig. 2b. Therefore the question asked above may be reformulated as follows: ”What must be the basic physical criterion of the accepted problem statement justification, for example, for the experiment on 14.4 keV solar axions detection?” Figure 2: Spectra of solar axions at the ground produced by Primakov effect ($g_{a\gamma}$), M1 ground-state nuclear transition in solar 57Fe ($g_{an}$), bremsstrahlung ($g_{ae}$, green line) and the Compton process ($g_{ae}$, blue line) correspondingly: (a) $g_{a\gamma}=1$, $g_{an}=1$ ($S=0.5$), $g_{ae}=1$ ($S=0.5$); (b) $g_{a\gamma}=7.07\cdot 10^{-11}$ GeV, $g_{an}=3.2\cdot 10^{-7}$, $g_{ae}=5.28\cdot 10^{-11}$. The data by Derbin et al. [ref007] were used in order to plot the bremsstrahlung and Compton spectra. 14.4 keV axions are marked with the pink line. In our opinion, one of the most effective ways of establishing such a criterion is the search for the models which would describe some experimentally observed phenomena in the framework of standard or non-standard solar physics using these properties of axions. If such a model is found, then the pivotal estimates of e.g. the axion mass or the upper limits on the axion coupling constants to photons ($g_{a\gamma}$), nucleons ($g_{an}$) and electrons ($g_{ae}$), obtained in the framework of the given model, may play a role of the main physical justification criterion for the accepted problem statement in the 14.4 keV solar axions detection experiment. In order to justify such a criterion for the future experiments (e.g. CAST, CUORE, XMASS etc.) we decided to create a modified model of the axion mechanism of Sun luminosity222It should be noted here that the axion mechanism of Sun luminosity, which served as a basis for one of the first axion mass estimates, was described for the first time in 1978 in the paper [ref008]. and solar dynamo – geodynamo connection, which had been described in our previous paper [ref009]. The basic idea of such a mechanism, which may be split into two stages for convenience, is the following. At the first stage the solar axions flux variations produced by the previously mentioned processes are modulated by the solar tachocline magnetic field variations through the inverse Primakoff effect [ref010]. At the second stage the ”modulated” solar axion flux travels to the Earth, where its ”iron” component containing the 14.4 keV solar axions is resonantly absorbed in the iron-nickel core of the Earth. If the energy of the axions supplied to the Earth core is enough for generation and maintaining the geomagnetic field, then this process will result in a persistent anticorrelation between the variations of the solar magnetic field and the geomagnetic field (the Y-component)333Note that the strong (inverse) correlation between the temporal variations of the magnetic flux in the tachocline zone and the Earth magnetic field (the Y-component) are observed only for experimental data obtained at that observatories where the temporal variations of declination ($\delta D/\delta t$) or the closely associated east component ($\delta Y/\delta t$) are directly proportional to the westward drift of magnetic features [ref011]. This condition is very important for understanding of the physical nature of the indicated above correlation since it is known that it is only the motions of the top layers of the Earth’s core that are responsible for most magnetic variations and, in particular, for the westward drift of magnetic features seen on the Earth surface on the decade time scale. Europe and Australia are geographical places, where this condition is fulfilled (see Fig. 2 in [ref011]). For more detailed discussion of this question see below (Section 2). (Fig. 3). This is extremely important, because such effect of anticorrelation was discovered recently [ref009], and has a strong experimental basis. Figure 3: Time evolution of (a) the variations of the magnetic flux at the bottom (the tachocline zone) of the Sun convective zone (see Fig. 7f in Ref. [ref012]), (b) the geomagnetic field secular variations (the Y-component, nT / year) measured at the Eskdalemuir observatory (England) [ref013]. Curves are smoothed by the sliding intervals in 5 and 11 years. The pink area is a prediction region. It should be added that the solar axion flux modulated by the inverse Primakoff effect in the magnetic field of the solar tachocline must not only explain the value of solar luminosity, but also describe the solar photon spectrum from the Active Sun, which in its turn must be equivalent to the data from accumulated observations [ref014]. Thus, the main purpose of the present report was, on the one hand, to develop a modified axion model of the Sun luminosity and solar dynamo – geodynamo connection mechanism; and on the other hand, to obtain the consistent estimates for the axion mass and the axion coupling constants to photons ($g_{a\gamma}$), nucleons ($g_{an}$) and electrons ($g_{ae}$) through the comparison and generalization of the model results and the known experiments including CAST, CUORE and XMASS. ## 2 Magnetic field of solar tachocline zone and axion mechanism of the solar dynamo – geodynamo connection It is known that in spite of a long history, the nature of the energy source maintaining a convection in the liquid core of the Earth, or more exactly the mechanism of the magnetohydrodynamic dynamo (MHD) generating the magnetic field of the Earth, still has no clear and unambiguous physical interpretation [ref015, ref016, ref017, ref018, ref019]. The problem is aggravated by the fact that none of the candidates for an energy source of the Earth magnetic- field [ref015] (secular cooling due to the heat transfer from the core to the mantle, internal heating by radiogenic isotopes, e.g. 40K, latent heat due to the inner core solidification, compositional buoyancy due to the ejection of light elements at the inner core surface) can in principle explain one of the most remarkable phenomena in solar-terrestrial physics, which consists in strong (inverse) correlation between the temporal variations of the magnetic flux in the tachocline zone (the bottom of the Sun convective zone) [ref012] and the Earth magnetic field (the Y-component) [ref013] (Fig. 3). Figure 4: (a) Geomagnetic filed Y-component variations at different observatories [ref011]; (b) Secular variation of declination for 2005-2010 [ref020] (the closely associated east Y-component of the geomagnetic field). (c) Direct impact of the westward drift on the geomagnetic field Y-component in Europe (e.g. Lerwick) and Australia (e.g. Toolangui). Here $\delta B_{Y}/\delta t$ is the magnetic variation seen at magnetic observatories; the $\partial B_{Y}/\partial t$ term accounts for the effects of non-uniform and north-south motions (as well as the effects of magnetic diffusion), $U_{\varphi}$ is a magnitude of the westward drift as seen at the Earth surface and $\partial B_{Y}/\partial\varphi$ is the longitudinal gradient of the magnetic field as seen at the surface. (d) Time evolution of the geomagnetic field secular variations (Y-component, $nT/year$), [ref013] and the variation of the Earth rotation velocity [ref021] (green line). All curves are smoothed by the sliding intervals in 5 and 11 years. The pink area is a prediction region. At the same time, supposing that the transversal (radial) surface area of tachocline zone, through which the magnetic flux passes, is constant in the first approximation, we can assume that magnetic flux variations also describe the temporal variations of the magnetic field in the tachocline zone of the Sun. In this sense, it is obvious that a future candidate for an energy source of the Earth magnetic field must not only play the role of a natural trigger of solar-terrestrial connection, but also directly generate the solar- terrestrial magnetic correlation by its own participation. At this point a question about the physical nature of such correlation arises. Let us turn to the concept of the westward drift of the Earth magnetic field. The nondipole part of the main field has a characteristic feature – it drifts westward with time. The phenomenon of the westward drift was noticed as far back as the XVII century. Each component of the geomagnetic filed has its own drift speed with the average westward drift speed 0.2∘ per year. It means that the nondipole field makes one complete revolution around the Earth rotation axis in 1800 years. A higher rotation velocity of the mantle in comparison with the outer core is supposed to be the physical mechanism of the westward drift. Because of electromagnetic forces, the solid mantle of the Earth is coupled to the core as a whole, and the outer part of the core therefore travels westward relative to the mantle, carrying the minor features of the field with it [ref022]. To explain the westward drift of magnetic features we have to distinguish between the drift effect and other causes of magnetic variations [ref011]. The magnetic secular variation can be written as: $\frac{\delta B_{Y}}{\delta t}=\frac{\partial B_{Y}}{\partial t}+U_{\varphi}\frac{\partial B_{Y}}{\partial\varphi}$ (1) where $\delta B_{Y}/\delta t$ is the magnetic variation (the Y-component) seen at magnetic observatories; the $\partial B_{Y}/\partial t$ term accounts for effects of non-uniform and north-south motions (as well as the less important effects of magnetic diffusion), $U_{\varphi}$ is the magnitude of the westward drift as seen at the Earth surface and $\partial B_{Y}/\partial\varphi$ is the longitudinal gradient of the magnetic field as seen at the surface. It is known that most of the early magnetic observatories are located in Europe (Fig. 4a) and fortunately, the $\partial B_{Y}/\partial\varphi$ term here is large [ref011] and smoothly varying [ref011, ref023] (Fig. 4b). Moreover, the term $\delta B_{Y}/\delta t$ is dominant and directly proportional to the magnitude of the westward drift at the geographical places where the term $\partial B_{Y}/\partial\varphi$ is large and smoothly varying and the term $\partial B_{Y}/\partial t\to 0$ (for example, Europe and Australia (see Fig. 4c)): $\frac{\delta B_{Y}}{\delta t}\sim U_{\varphi}.$ (2) Consequently, if the westward drift of the magnetic field on the core-mantle boundary (Fig. 5) is caused by the core-mantle coupling, which induces the corresponding westward drift of magnetic feature at the Earth surface (Fig. 5), then $\frac{\delta B_{Y}}{\delta t}\sim U_{\varphi}\sim u_{\varphi}.$ (3) where $u_{\varphi}$ is the westward drift of the magnetic field on the core- mantle boundary. Figure 5: Sketch of Earth magnetic field and westward drift of Earth magnetic field on the core-mantle boundary ($u_{\varphi}$) and at the Earth surface ($U_{\varphi}$). On the other hand, as far back as 1953 basing on the Bullard’s model [ref022] analysis, Vestine [ref024] came to a conclusion that if the core-mantle coupling mechanism exists, it should also cause a correlation between the westward drift of the eccentric dipole (the magnetic centre in the Earth core) and the variations of the Earth rotation velocity $\Omega$. As the further analysis of the magnetic observations and the Earth rotation variations [ref011] reveals, such kind of correlation indeed takes place (Fig. 4d), which is an obvious sign of core-mantle coupling mechanism existence producing the westward drift of magnetic features at the Earth surface. It becomes clear therefore that a question about the physical nature of the strong anticorrelation between the Solar magnetic field and the geomagnetic field (the Y-component) variations (Fig. 3) comes to a question: ”How can the Sun know about the processes in the Earth liquid core?”. The answer is very simple: it governs them! And it governs the magnetic field in the Earth core by means of some unknown interaction carrier! More precisely speaking, the Sun governs the processes in the Earth liquid core through some kind of interaction which must be transmitted by some unknown particles with their flux controlled (modulated) by the Solar magnetic field. According to our supposition, these particles may be the axions born primarily inside the Sun core and may be converted into $\gamma$-quanta in the tachocline magnetic field. This supposition is the leading idea of the present paper. The fact that the solar-terrestrial magnetic correlation has the undoubtedly fundamental importance for evolution of all the geospheres is confirmed by existence of stable and strong correlation between temporal variations of the Earth magnetic field, the Earth angular velocity, the average ocean level and the number of large earthquakes (with the magnitude M$\geqslant$7), which are apparently driven by a common physical cause of unknown nature (see e.g. [ref009]). In this section we consider the hypothetical particles (solar axions) as the main carriers of the solar-terrestrial connection, which by virtue of the inverse coherent Primakoff effect can transform into photons in external fluctuating electric or magnetic fields [ref010]. At the same time we ground and develop the axion mechanism of solar dynamo – geodynamo connection, where the energy of axions, which originate from the Sun core, is modulated at first by the magnetic field of the solar tachocline zone (due to the inverse coherent Primakoff effect), and after that is resonantly (57Fe solar axions) absorbed in the iron core of the Earth, thereby playing the role of an energy source and a modulator of the Earth magnetic field. Justification of the axion mechanism of the Sun luminosity and solar dynamo – geodynamo connection is the goal of the current section. ### 2.1 Implication from ”axion helioscope” technique (axion-photon interaction) As it is seen from the Earth, the most important astrophysical source of axions is the core of the Sun. There, pseudoscalar particles like axions would be continuously produced in the fluctuating electric and magnetic fields of the plasma via their coupling to two photons (the Primakoff effect [ref010]). After production the axions would freely stream out of the Sun without any further interaction. The resulting differential solar axion flux on the Earth would be [ref025, ref026] $\frac{d\Phi_{a}}{dE}=6.02\cdot 10^{10}g_{10}^{2}E^{2.481}\exp\left(-\frac{E}{1.205}\right)~{}~{}cm^{-2}s^{-1}keV^{-1},$ (4) where $E$ is in keV and $g_{10}=g_{a\gamma}/(10^{-10}~{}GeV^{-1}$). The spectral energy of the axions (4) follows the thermal energy distribution between 1 and 100 keV, which peaks at $\approx$3 keV and the average energy $\langle E_{a}\rangle=4.2$ keV. To be able to compare the expected axion flux in a specific energy range with available data, by integrating the spectrum (4) over the energy range of 1 to 100 keV we find the solar axion flux at the Earth to be $\Phi_{a}\approx 3.75\cdot 10^{11}g_{10}^{2}~{}~{}cm^{-2}s^{-1}.$ (5) In the case of the coherent Primakoff effect the number of photons leaving the magnetic field towards the detector is determined by the probability $P_{a\to\gamma}$ that an axion converts back to an ”observable” photon inside the magnetic field [ref027] $P_{a\rightarrow\gamma}=\left(\frac{Bg_{a\gamma}}{2}\right)^{2}\frac{1}{q^{2}+\Gamma^{2}/4}\left[1+e^{-\Gamma L}-2e^{-\Gamma L/2}\cos(qL)\right],$ (6) where $B$ is the strength of the transverse magnetic field along the axion path, $L$ is the path length traveled by the axion in the magnetic region, $l=2\pi/q$ is the oscillation length, $\Gamma=\lambda^{-1}$ is the absorption coefficient for the X-rays in the medium, $\lambda$ is the absorption length for the X-rays in the medium and the longitudinal momentum difference $q$ between the axion and the X-rays energy $E_{\gamma}=E_{a}$ is $q=\frac{\left|m_{\gamma}^{2}-m_{a}^{2}\right|}{2E_{a}}$ (7) with the effective photon mass $m_{\gamma}\cong\sqrt{\frac{4\pi\alpha n_{e}}{m_{e}}}=28.9\sqrt{\frac{Z}{A}\rho},$ (8) where $m_{\gamma}=m_{a}$ is the axion mass, $\alpha$ is the fine-structure constant, $n_{e}$ is the number of electrons in the medium, $m_{e}$ is the electron mass, $Z$ is the atomic number of the buffer medium, $A$ is atomic mass of the medium and its density $\rho$ in $g/cm^{3}$. On the other hand, it is known that the axion is a neutral pseudoscalar particle that was introduced in the particle theory to explain the absence of CP violation in strong interactions [ref028, ref029, ref030]. The most natural solution to the CP-violation problem was obtained by introducing a new chiral symmetry, known as Peccei-Quinn (PQ) symmetry [ref001], the spontaneous breakdown of which at the energy $f_{a}$ fully compensates the CP-nonivariant term in the QCD Lagrangian and leads to the appearance of the axion [ref029, ref030]. The axion is not massless because the chiral U(1) PQ-symmetry is anomalous. As a result, the axion gets a mass of the order [ref031] $m_{a}\sim\frac{\Lambda_{QCD}^{2}}{f_{a}},$ (9) where $\Lambda_{QCD}$ is the confining QCD-scale and $f_{a}$ is the energy scale associated with the breakdown of the U(1) PQ symmetry. At the same time it is necessary to mention the axion mass estimates obtained in the framework of the so-called invisible axion models (KSVZ [ref032, ref032a] and DFSZ [ref033, ref033a]), which restrict the allowed range for $f_{a}$, or equivalently the range for the axion mass $m_{a}=6\cdot\frac{10^{6}~{}GeV}{f_{a}}~{}~{}eV,$ (10) ### 2.2 Axion conversion in the Sun magnetic field and the plasma mass of photon Let us consider the modulation of the axion flux emerging from the Sun core and passing through the solar tachocline region (ST) located at the base of the solar convective zone (Fig. 6c,d). As is known [ref014, ref034], the equatorial thickness of ST, where the toroidal magnetic field $B\sim 10\div 50$ T dominates [ref034, ref035, ref036], attains $L_{ST}\sim 0.039R_{S}$ (where $R_{S}=6.96\cdot 10^{8}$ m [ref037] is the Sun radius). At the same time the values of pressure, temperature and density for the ST are $P_{ST}\sim 6.0\cdot 10^{12}$ Pa, $T_{ST}\sim 2.0\cdot 10^{6}$ K and $\rho\sim 0.2~{}g\cdot cm^{-3}$, respectively. Figure 6: Examples of simulation of the periodic alternation of layers (the zonal flow) in the convective structures of the Earth outer core (a, b [ref038]) and the convective zone of the Sun (c, d). a) View from the north. Isosurfaces of the axial vorticity, $\omega_{z}$, are shown in red ($\omega_{z}=0.4$) and green ($\omega_{z}=-0.4$) to illustrate the sheet plumes. Each line forms a closed ring, indicating that the flow is nearly purely westward; b) Same as a), but viewed from a different angle; c) The section $AA^{\prime}$ along one of the alternate convective layers of the Sun. In the tachocline axions are converted into $\gamma$-quanta (see the inset in d)) channeling in the green area. In the photosphere $\gamma$-quanta are scattering due to the Compton effect. d) Same as c), but viewed from a different angle (see the section $AA^{\prime}$ in c)). Alternate layers in the convective zone, where layers in which the channeling takes place are shown in green, are also presented. Blue points (in the upper convective zone) and crosses (in the tachocline) show the direction of output and input of the magnetic field in the convective zone of the Sun. To estimate the plasma mass of a photon $m_{\gamma}$ in the hydrogen-helium medium of ST it is possible, without loss of generality, to use the modified Eq. (8) in the form [ref025] $m_{\gamma}(eV)=m_{a}\cong\sqrt{0.02\frac{P_{ST}(mbar)}{T_{ST}(K)}}\cong 25~{}~{}eV,$ (11) where we use the corresponding parameters $P_{ST}\sim 6.0\cdot 10^{12}$ Pa and $T_{ST}\sim 2.0\cdot 10^{6}$ K for the hydrogen-helium medium of ST obtained by Bahcall & Pinsonneault for the standard model of the Sun [ref079]. Thus, the axion mass in the standard model of the Sun is $\sim$25 eV. However, it will be shown below that in the framework of the axion mechanism of Sun luminosity the axion mass will be different, since the total energy balance of the Sun is not violated, but indicates a substantial change in radiation transport through the radiative zone and the convective zone with respect to the standard model of the Sun. The energy portion of the axion-independent radiation transport is rather small here and equals to $\sim 0.015\Lambda_{Sun}$ (see (19)). Since the total energy balance of the Sun is not violated in the axion model, one may suppose that the basic parameters of the solar core – the region of the energy generation – remain approximately the same in both the standard and the ”axion” models. Meanwhile, the thermodynamic parameters (temperature, pressure, plasma density, electron density etc.) outside the solar core (between the core and photosphere) are substantially smaller in the axion model as compared to the corresponding parameters in the standard model of the Sun. It should be noted here that the calculation of these parameters for the axion model is a rather nontrivial task, which, because of its complexity, will be performed in a separate publication. For this reason from now on let us use the ”experimental” value of the axion mass found during the extragalactic background light investigation (see Section 5). $m_{a}\sim 17~{}~{}eV.$ (12) Taking into account (11) and (10) it is easy to derive the value of the energy $f_{a}$: $f_{a}\cong 0.353\cdot 10^{6}~{}~{}GeV$ (13) Now we make an important assumption that the axion mass is equal to the plasma mass of a photon, i.e., $m_{\gamma}=m_{a}\sim 17$ eV. It is obvious, that by virtue of Eq. (7) $q\to 0$, whence it follows that the oscillation length $l$ becomes an infinite quantity, i.e. $l=2\pi/q\to\infty$. However, taking into account that in this case the absorption length $\lambda$ is about 0.1 m [ref014], we have $\Gamma L_{ST}\to\infty$. This means that according to Eq. (6), the intensity of expected conversion of axions into $\gamma$-quanta is practically equal to zero in this case. At the same time, there is a reason to believe (see [ref014] and Refs. therein) that the conversion of axions into $\gamma$-quanta indeed takes place, and strangely enough, this process goes on quite effectively. For example, the reconstructed solar photon spectrum below 10 keV from the Active Sun (Fig. 7b) is well described by the sum of secondary Compton spectra obtained e.g. by the simulation of $\gamma$-quanta passage (regenerated from the solar axion spectrum in the tachocline zone of the Sun (Fig. 7b)) through the areas of the solar photosphere of different thickness but equal density, layers with the thickness of $64~{}g/cm^{2}$ and $16~{}g/cm^{2}$. Figure 7: Reconstructed solar photon spectrum below 10 keV from the Active (flaring) Sun (the black line) from accumulated observations [ref039] (adapted from [ref014]). The dashed line is the converted solar axion spectrum. Two degraded spectra due to multiple Compton scattering are also shown for column densities above the initial conversion place of $64~{}g/cm^{2}$, $16~{}g/cm^{2}$. The pink dotted line represents the initial Primakoff axion spectrum. Note that the Geant4 code photon threshold is at 1 keV and therefore the turndown around $\sim$1 keV is an artifact. In other words, despite the fact that the coherent axion-photon conversion by the Primakoff effect is impossible due to the small absorption length for $\gamma$-quanta ($l\gg 1$) in the medium (see Eq. (6) $\Gamma=1/\lambda\to\infty$), there is a good agreement between the relative theoretical $\gamma$-quantum spectra generated by solar axions and experimental photon energy spectra detected close to the Sun surface in the period of its active phase (see Fig. 7). The additional account taken of the bremsstrahlung in the photosphere will surely enhance the quality of the theoretical description of the experimenal solar photon spectrum substantially. At the same time it is necessary to note that attempts to match the absolute values of these spectra did not succeed so far [ref014]. It was mainly associated with the absence of a wish to make efforts, since it was absolutely unknown how can the $\gamma$-quanta spectra generated by solar axions in the tachocline be transported in a ”virgin”, i.e. unchanged, form through the convective zone up to the Solar photosphere. To overcome the problem of the small absorption length for $\gamma$-quanta and to reach a resonance in Eq. (6) it is necessary for the refractive gas, in which the axion-photon oscillation is studied, to have a zero refractive index [ref040]. It appears that in order to satisfy this condition it is not necessary to use the so-called metamaterials [ref041] with the negative permittivity ($\varepsilon$) and magnetic permeability ($\mu$) or results of the Pendry superlens theory [ref042], which are not practically realized in nature444Though it should be noted that the metamaterial technology is frequently used nowadays for laboratory simulations of some celestial mechanics and cosmology phenomena [ref043, ref044, ref045, ref046]. And the ”…”artificial atoms” used as building blocks in metamaterial design offer much more freedom in constructing analogues of various exotic spacetime metrics, such as black holes, wormholes, spinning cosmic strings, and even the metric of Big Bang itself. Explosive development of this field promises new insights into the fabric of spacetime, which cannot be gleaned from any other terrestrial experiments”([ref047] and Refs. therein).. Taking into account the known difficulties [ref048] induced by the so-called problem of electromagnetically induced transparency for X-rays and the recent significant advances in this field [ref049, ref050], let us consider two (possibly related) alternative ways of solving the problem of ”unperturbed” $\gamma$-quanta spectra transfer through the Solar convective zone. ### 2.3 Channeling of $\gamma$-quanta in periodical structure We can use the results from papers [ref051, ref052], where the possibility of the electromagnetic X-radiation in a microwave range channeling in a multi- layered metal-dielectric structure is theoretically and experimentally shown. As it is stated in Appendix A in detail, the essence of the electromagnetic X-ray channeling in long-period media lies in a fact that the rays are reflected from the layers of higher electron density when propagating at small angles to these layers. It leads to a non-uniform intensity distribution over the cross-sectional plane because of the rays concentration within the ”channels” – the layers with lower electron density. It decreases the absorption substantially and makes it possible for the rays to penetrate much deeper into the sample along the layers than in the case of an arbitrary angle of arrival. According to [ref051], the intensity $J(x)$ of the photons (see Fig. A.2 and (A.26)) passed through a sample of a thickness $x$, may be written in the form $J(x)=J_{0}\exp(-\sigma x)=J_{0}\exp\left(-\frac{\chi_{0}}{\cos\alpha}x\right)\cdot Q(\alpha,y_{0},x),$ (14) where $Q(\alpha,y_{0},x)=\begin{cases}\exp\left[-\frac{\chi_{0}}{\cos\alpha}\beta^{2}x\left(1-\frac{E(q^{-1})}{K(q^{-1})}\right)\right]&at~{}~{}q>1,\\\ \exp\left[-\frac{\chi_{0}}{q^{2}\cos\alpha}\beta^{2}x\left(1-\frac{E(q)}{K(q)}\right)\right]&at~{}~{}q<1.\end{cases}$ (15) with the same notation used in expressions (A.26)-(A.27). Although we give a complete analysis of the Eqs. (14) and (15) in A, let us make a short remark regarding the physical nature of these equations. Here the multiplier $J_{0}\exp(-\chi x/\cos\alpha$) in (14) corresponds to the case of $\gamma$-quanta propagation through a homogeneous medium with the electron density $N_{e}$ and the absorption coefficient $\chi_{0}$. The additional multiplier $Q(\alpha,y_{0},x)$ characterizes the influence of the medium layering. As is shown in A, the condition $Q(\alpha,y_{0},x)\to 1$ is theoretically feasible for a majority of the multilayer metal-dielectric structures [ref051, ref053], which are an effective emulator of a plasma medium (Fig. 6). This condition is obviously necessary, but not sufficient. The layers with ultralow, if not with ”quasi-zero” density, are also required for the ideal photon channeling. Such layers suppress the photon absorption processes almost completely, i.e. minimize the effect of the multiplier $J_{0}\exp(-\chi_{0}x/\cos\alpha$) in (14). Surprisingly enough, it turns out that such long-period (in terms of density) media with one of the two alternating media having almost zero density can take place, and not only in plasmas in general, but straight in the convective zone of the Sun. Here we generally mean the so-called magnetic flux tubes, the properties of which are examined below (see Appendix B for details). ### 2.4 Channeling of $\gamma$-quanta along the magnetic flux tubes (waveguides) in Solar convective zone The idea of the energy flow channeled along a fanning magnetic field has been suggested for the first time by Hoyle [ref054] as an explanation for darkness of umbra of sunspots. It was incorporated in a simple sunspot model by Chitre [ref055]. Zwaan [ref056] extended this suggestion to smaller flux tubes to explain the dark pores and the bright faculae as well. Summarizing the research of the convective zone magnetic fields in the form of the isolated flux tubes, Spruit and Roberts [ref057] suggested a simple mathematical model for the behavior of thin magnetic flux tubes, dealing with the nature of the solar cycle, the sunspot structure, the origin of spicules and the source of mechanical heating in the solar atmosphere. In this model, the so-called thin tube approximation is used (see [ref057] and Refs. therein), i.e. the field is conceived to exist in the form of slender bundles of field lines (flux tubes) embedded in a field-free fluid. Mechanical equilibrium between the tube and its surrounding is ensured by the reduction of the gas pressure inside the tube, which compensates the force exerted by the magnetic field. In our opinion, this is exactly the kind of mechanism Parker [ref058] was thinking about when he wrote about the problem of flux emergence: ”Once the field has been amplified by the dynamo, it needs to be released into the convection zone by some mechanism, where it can be transported to the surface by magnetic buoyancy” [ref059]. In order to understand magnetic buoyancy, let us consider an isolated horizontal flux tube in pressure equilibrium with its non-magnetic surroundings, so that $p_{int}+\frac{B^{2}}{2\mu_{0}}=p_{ext},$ (16) where $p_{int}$ and $p_{ext}$ are the internal and external gas pressures respectively and $\mu_{0}$ is the magnetic permeability of the medium, $B$ denotes the uniform field strength in the flux tube. If the internal and external temperatures are equal so that $T_{int}=T_{ext}$ (thermal equilibrium), then since $p_{int}<p_{ext}$, the gas in the tube is less dense than its surrounding ($\rho_{int}<\rho_{ext}$), implying that the tube will rise under the influence of gravity. In spite of the obvious, though turned out to be surmountable, difficulties of expression (18) application to the real problems, it was shown (see [ref057] and Refs. therein) that strong buoyancy forces act in magnetic flux tubes of the required field strength (104-105 G [ref060]). Under their influence tubes either float to the surface as a whole (e.g. Fig.1 in [ref061]) or they form loops of which the tops break through the surface (e.g. Fig.1 in [ref056]) and lower parts descend to the bottom of the convective zone, i.e. to the overshoot tachocline zone. The convective zone, being unstable, enhances this process [ref062, ref063]. Small tubes take longer to erupt through the surface because they feel stronger drag forces. It is interesting to note here that the phenomenon of the drag force which raises the magnetic flux tubes to the convective surface with the speeds about 0.3-0.6 km/s was discovered in direct experiments using the method of time-distance helioseismology [ref064]. Detailed calculations of the process [ref065] show that even a tube with the size of a very small spot, if located within the convective zone, will erupt in less than two years. Yet, according to [ref065], the horizontal fields are needed in the overshoot tachocline zone, which survive for about 11 yr, in order to produce an activity cycle. Figure 8: (a) Vertical cut through an active region illustrating the connection between a sunspot at the surface and its origins in the toroidal field layer at the base of the convection zone. Horizontal fields are stored at the base of the convection zone (the overshoot tachocline zone) during the cycle. Active regions form from sections brought up by buoyancy (one is shown in the process of rising). After the eruption through the solar surface a nearly potential field is set up in the atmosphere (broken lines), connecting to the base of the convective zone via almost vertical flux tube. Hypothetical small scale structure of a sunspot is shown in the inset (adopted from Spruit [ref066] and Spruit and Roberts [ref057]). (b) Detection of emerging sunspot regions in the solar interior [ref064]. Acoustic ray paths with lower turning points between 42 and 75 Mm (1 Mm=1000 km) are crossing the region of the emerging flux. For simplicity, only four out of a total of 31 ray paths used in this study (the time-distance helioseismology experiment) are shown here. Adopted from [ref064]. (c) Emerging and anchoring of stable flux tubes in the overshoot tachocline zone, and its time-evolution in the convective zone. Adopted from [ref067]. (d) Vector magnetogram of the white light image of a sunspot (taken with SOT on a board of the Hinode satellite – see inset) showing the direction of the magnetic field and its strength (the length of the bar) in red. The movie shows the evolution in the photospheric fields that has led to an X class flare in the lower part of the active region. Adopted from [ref068]. A simplified scenario of magnetic flux tubes (MFT) birth and space-time evolution (Fig. 8a) may be presented as follows. MFT is born in the overshoot tachocline zone (Fig. 8d) and rises up to the convective zone surface without separation from the tachocline (the anchoring effect), where it forms the sunspot (Fig. 8b) or other kinds of active solar regions when intersecting the photosphere. There are more fine details of MFT physics expounded in overviews by Hassan [ref059] and Fisher [ref061], where certain fundamental questions, which need to be addressed to understand the basic nature of magnetic activity, are discussed in detail: How is the magnetic field generated, maintained and dispersed? What are its properties such as structure, strength, geometry? What are the dynamical processes associated with magnetic fields? What role do magnetic fields play in energy transport? Dwelling on the last extremely important question associated with the energy transport, let us note that it is known that the thin magnetic flux tubes can support longitudinal (also called sausage), transverse (also called kink), torsional (also called torsional Alfvén), and fluting modes (e.g. [ref069, ref070, ref071, ref072, ref073]); for the tube modes supported by wide magnetic flux tubes see Roberts and Ulmschneider [ref072]. Focusing on the longitudinal tube waves known to be an important heating agent of solar magnetic regions, it is necessary to mention the recent papers by Fawzy [ref075], which showed that the longitudinal flux tube waves are identified as insufficient to heat the solar transition region and corona in agreement with previous studies [ref076]. In other words, the problem of generation (the source) and transport of energy by magnetic flux tubes remains unsolved in spite of its key role in physics of various types of solar active regions. Interestingly, this problem may be solved in the natural way in the framework of the ”axion” model of the Sun. As it is shown in Appendix B, the inner pressure, temperature and matter density decrease rapidly in a magnetic tube ”growing” between the tachocline and the photosphere. The analysis of these parameters evolution within the equation of the growing magnetic flux tube medium state not only gives the ultralow values for them, but also leads to the so-called hydrostatic condition of an ideal (without absorption) $\gamma$-quanta channeling inside the thin magnetic flux tubes $p_{ext}\simeq\frac{|\vec{B}|^{2}}{2\mu_{0}},$ (17) which is well satisfied for the ”axion” model of the Sun, according to estimations in Appendix B. It means that such thin magnetic flux tubes are the ideal $\gamma$-quanta waveguides, which reveal the essence of the unique energy transport mechanism between the tachocline and the photosphere. As a matter of fact, the phenomenon of $\gamma$-quanta channeling along the magnetic flux tubes not only makes it possible to solve a problem of the energy transport to the photosphere, but may also be a basis for solving other important and critical problems in solar physics. If we assume that the vertically oriented thin magnetic flux tubes play the role of waveguides for $\gamma$-quanta produced in the tachocline via the axion mechanism of Sun luminosity, virtually all known anomalies of experimental data interpretation in physics of active solar regions, helioseismology and solar neutrino are withdrawn. Since this assumption needs to be substantiated, let us describe our phenomenology, consequences and experimental proofs of this hypothesis below in short. First of all, if one takes into account the sufficiently strong magnetic field in the balance equation of (16) type, it becomes clear that the vertically oriented thin magnetic flux tubes may serve as the X-ray waveguides for the radiation originating from the overshoot tachocline zone because of the high magnetic pressure. Naturally, in this case the X-ray spectrum coincides with the observed Solar X-ray spectrum. All these facts, i.e. the strong magnetic field $\sim$200-400T (Fig. 9), X-rays (Fig. 8b) and their spectrum (e.g. Fig. 7 in [ref068]) in active solar regions, are in good agreement with observational data. Figure 9: (a) Growth rates for magnetic shear instabilities are plotted as a function of the initial latitude (vertical axes) and the field strength (horizontal axes) of a toroidal band. Shaded areas indicate instability in 0.1-100T band (gray) and 200-400T band (green). Contour lines represent $m=1$ and $m=2$ symmetric (S) and antisymmetric (A) modes as indicated. The non- dimensional model is normalized in such a way that the growth rate of 0.01 corresponds to an e-folding growth time of 1 year. The parameter $s$ is the fractional angular velocity contrast between equator and pole and the reduced gravity $G$ (adopted from [ref077]). In addition, a hidden part of the ”latitude – magnetic field in overshoot tachocline zone” dependence, which was missing on the original plot (Fig.11 in [ref077]), is plotted to the right of the dashed line. (b) Solar images at photon energies from 250 eV up to a few keV from the Japanese X-ray telescope Yohkoh (1991-2001) (adapted from [ref014]). The following shows solar X-ray activity during the last maximum of the 11-year solar cycle. Second, it clears up a way to the solution of the known problem associated with the over-shoot tachocline anomaly (Fig. 10) which arises when interpreting the helioseismology and solar abundances data. And here is why. It is known [ref078] that the problem comes from the attempts to improve agreement between solar models with low heavy-element abundances and seismic inference. The low-metallicity models that have the least disagreement with seismic data require changing all input physics to stellar models beyond their acceptable ranges. Let us consider the way it happens in the framework of a solar model built upon the axion mechanism of Sun luminosity. Figure 10: The relative sound-speed (the panel a) and density differences (the panel b) between the Sun and the model constructed with the AGS05 abundances [ref-bahcall2005]. For comparison we also show the results for the model constructed with the GS98 abundances. MDI 360 day data have been used for the inversions. The overshoot tachocline anomaly is highlighted with green. Note: GS98 is a solar model with the solar heavy-element mixture $Z/X=0.0245$; AGS05 is a solar model with low heavy-element mixture $Z/X=0.0122$. Adopted from [ref078]. Since solar luminosity is determined by the $\gamma$-quanta born in the tachocline in the framework of the axion mechanism, it is clear that an old heat flux transport mechanism (from the radiative zone to the overshoot) by radiation, used in the standard model of the Sun, should be highly depressed because the major part of the radiation is converted into axions in the core of the Sun [ref025] and does not get into the radiative interior. It is easy to see from the traditional statement of the problem involving helioseismology and solar abundances as described by Basu [ref078] that this is one of the main and fundamental differences from the standard model of the Sun: ”The most easily detectable effect of the reduction of heavy-element abundances is a change in the position of the base of the convection zone. The temperature gradient in the radiative interior is determined by opacity, and hence, its structure is affected by the heavy-element abundances. The base of the convection zone occurs at a point where opacity is just small enough to allow the entire heat flux to be transported by radiation, and thus the location of this point depends on the abundance of those heavy elements that are the predominant sources of opacity in that region. If these abundances are reduced, opacity reduces, and the depth of the convection zone also reduces. Since the depth of the convection zone has been measured very accurately, it is the most sensitive indicator of opacity or heavy-element abundances”. The axion mechanism of Sun luminosity implies that because of a virtually complete transparency of the magnetic flux tubes for $\gamma$-radiation there are no reasons for moving the location of the center of the tachocline ”by hand”, since the radiative opacity determined by the effect of heavy-element abundance loses its impact on the location of this point and, consequently, its significance, because of almost total suppression of the radiative heat flux transport mechanism itself in this case. In other words, the effect of absolute magnetic flux tubes transparency for the $\gamma$-radiation is dominant in the overshoot tachocline zone and levels the influence of radiative opacity. As a consequence, the value of the temperature gradient in the radiative interior is almost entirely free from the strict limit introduced by opacity which is still affected by the heavy element abundances, but not as dramatically as it is in several other solar models – standard and nonstandard – that have been published recently [ref078]. The latter opens up a possibility to build a new standard solar model on the basis of the axion mechanism of Sun luminosity which may become a key to the solar abundance problem solution. Third, let us consider the axion mechanism of Sun luminosity compatibility with the nuclear energy generation pathways in the solar core and solar neutrino fluxes generation. The axion mechanism of Sun luminosity is compatible with the standard nuclear energy generation pathways scheme and does not disturb the known values for solar neutrino fluxes, since the ”invisible” axion losses almost do not change the Sun energy balance in our model (see Section 2.5 below), and therefore do not introduce any problems related to energy-producing regions (i.e. the solar core). It actually means that introducing the axion mechanism of Sun luminosity in the framework of the standard model of the Sun leads to such value of axion losses which does not contradict the Gondolo-Raffelt limit on the ”invisible” axion and Sun luminosities ratio, $\Lambda_{a}^{invis}/\Lambda_{Sun}\leqslant 0.1$ [ref080], for which a good coincidence between the theoretical values and experimental data of modern helioseismological and solar neutrino experiments is still observed [ref080, ref081]. And forth, if the vertically oriented thin magnetic flux tubes in the convective zone play a role of the waveguides for the $\gamma$-quanta born in the tachocline with total luminosity equal to that of the Sun, what are the nature and the power of the energy source maintaining the convective processes on the Sun? In order to find it out, let us assume that this source is the radiative zone and perform an estimation of its power basing on the magnetic field $B_{OT}$ in the overshoot tachocline zone dependence on the total ohmic dissipation $D_{CZ}^{ohmic}$ in the convective zone [ref082]. $D_{CZ}^{ohmic}=\int\frac{\eta}{\mu}\left(\nabla\times\vec{B}_{OT}\right)^{2}dV\propto\frac{2\eta}{H_{p}^{2}}E_{mag},$ (18) where $E_{mag}$ is the magnetic energy of the field which could be possibly maintained by the currents that produce the ohmic dissipation of the solar dynamo [ref083]. It is easy to show [ref082] that the expression (18) may be written down in the following form: $D_{CZ}^{ohmic}=\frac{\eta\cdot V_{CZ}}{\mu\cdot H_{p}^{2}}B_{in}^{2}\approx 0.015\Lambda_{Sun},$ (19) where $D_{CZ}^{ohmic}=0.015\Lambda_{Sun}$ is the heat power of the radiative zone near the border of the overshoot tachocline zone, equal to the uncertainty of the known Solar luminosity [ref073, ref084, ref090]; $\eta\sim 10^{4}~{}cm^{2}/s$ is the magnetic diffusivity [ref085, ref086], $V_{CZ}$ is the volume of the Sun convective zone; $\mu\sim 1$ is the permeability; $B_{OT}=400~{}T$ is the magnetic field in the overshoot tachocline zone; $H_{P}=6.5\cdot 10^{3}~{}km$ is the pressure scale height555A larger value of the pressure scale height is a consequence of the fact that the rigidity [ref087] of the interior can be provided only by the large-scale magnetic field (cf. Mestel & Weiss [ref088]; Gough & McIntyre [ref089]) that the tachocline provides the interface in which radial field lines might connect the convection zone with the radiative interior only near the latitudes at which there is essentially no radial shear. [ref056, ref090] The approximate equality implies that not only the total solar energy balance is preserved in the framework of the axion mechanism of Sun luminosity, but also that the temperature transport changes substantially with respect to the standard model of the Sun. This is because of the fact that the old heat flux transport mechanism (from the radiative zone to the overshoot) by radiation, used in the standard model of the Sun, is highly depressed because the majority of the radiation is converted into axions in the core of the Sun and therefore does not reach the radiative interior. At the same time, this change may not seem so dramatic, since almost all known anomalies of the experimental data interpretation on the active solar regions, helioseismology and solar neutrino may be leveled as it was noted above. And, finally, turning back to the possible mechanisms of $\gamma$-quanta channeling in a periodical structure and along the magnetic flux tubes in the Sun convective zone, one may suppose with confidence that they are not only physically compatible, but may turn out to be just two different versions of the same mechanism, which naturally manifests itself, for example, in the so- called hexagonal magnetoconvection kinetics (see e.g. [ref091]). This means, in its turn, that the absorption length $\lambda$ for photons in such a medium (see (6)) will become considerably greater than the thickness of the overshoot tachocline zone, i.e., $\lambda\gg L_{OTZ}$. At the same time, it is obvious that $\Gamma=\lambda^{-1}\to 0$, whence a necessary condition $\Gamma L_{OTZ}\to 0$ follows. In the particular (non-coherent) case in which the magnetic field where axions are converted into photons is under vacuum ($\Gamma\to 0$, $m_{\gamma}\to 0$), equation (6) becomes $P_{a\to\gamma}=\left(\frac{g_{a\gamma}B_{OT}L_{OT}}{2}\right)^{2}\sin^{2}\left(\frac{qL_{OT}}{2}\right)/\left(\frac{qL_{OT}}{2}\right)^{2}$ (20) where $q=m_{a}^{2}/2E_{a}$ (see (7)). Obviously, in coherent case $q\to 0$, regardless of the $\gamma$-quanta channeling mechanism type, the probability (20) for an axion to be converted back to an ”observable” photon inside the magnetic field may be expressed in the following simple form $P_{a\gamma}\simeq\left(\frac{g_{a\gamma}\bar{B}_{OT}\bar{L}_{OT}}{2}\right)^{2},$ (21) where $\bar{B}_{OT}$ is the mean value of the magnetic field in the overshoot tachocline zone with the effective thickness $\bar{L}_{OT}$. A value for $\bar{L}_{OT}$ was chosen basing on the analysis of the following data set. The most well known results obtained by Charbonneau et al. [ref092] yield a tachocline thickness of $\Delta_{t}/R_{S}=0.039\pm 0.013$ at the equator and $\Delta_{t}/R_{S}=0.042\pm 0.013$ at the latitude of 60∘, suggesting that the tachocline may get somewhat wider at high latitudes but that the result is not statistically significant. On the other hand, Basu and Antia [ref093] argue for the statistically significant increase in the tachocline thickness with the latitude, from $\Delta_{t}/R_{S}\sim 0.016$ at the equator to $\Delta_{t}/R_{S}\sim 0.038$ at latitudes of 60∘ (when the width is defined as in [ref093]). Furthermore, they suggest that the variation may not be smooth; there may be a sharp transition from a narrow tachocline at low latitudes to a wider tachocline at high latitudes, possibly associated with the sign of the radial angular velocity gradient which reverses at the latitude of $\sim 35^{\circ}$. Other estimates for the width of the tachocline range from $0.01R_{S}$ to $0.09R_{S}$ (Kosovichev [ref094], Basu [ref095], Corbard et al. [ref096], Elliott and Gough [ref097], Basu and Antia [ref098]). Taking into account that, first, the tachocline is a transition layer between two distinct rotational regimes (the differrentially rotating solar envelope and the radiative interior) where the rotation is uniform, second, the maximum estimate of the tachocline thickness reaches $0.09R_{S}$ and third, the thickness of the overshoot tachocline zone is somewhat larger than that of the tachocline, we took the value of $\bar{L}_{OT}$ equal to $0.1R_{S}$. Then using Eq. (21) and the parameters of the magnetic field, it is possible to write down the expression for the solar axion flux666Hereinafter we use rationalized natural units to convert the magnetic field units from Tesla to $eV^{2}$, where the conversion is 1 T = 195 $eV^{2}$ [ref040]. probability at the Earth as $P_{a\rightarrow\gamma}=\frac{1}{4}\left(\frac{g_{a\gamma}}{7.07\cdot 10^{-11}~{}GeV^{-1}}\right)^{2}\left(\frac{\bar{B}_{OT}}{400~{}T}\right)^{2}\left(\frac{\bar{L}_{OT}}{7.25\cdot 10^{7}~{}m}\right)^{2}=1.$ (22) where the value of the magnetic field $B_{OT}=400~{}T$ (cf. [ref034, ref035, ref036]) was chosen so that it satisfied the ”experimental” estimates of 200-400 T (see. Fig. 9) and induced via (22) such a value of the axion-photon coupling constant ($g_{a\gamma}=7.07\cdot 10^{-11}$ GeV-1) that would in its turn be strictly consistent with the known and very important limits (86)-(87) taking into account (13). More detailed justification of such self-consistent choice will be given in Section 5. It is necessary to make a deviation concerning some important features of the oscillation length ($l=2\pi/q$) here. It is known that in order to maintain the maximum conversion probability, i.e. zero momentum transfer ($q\to 0$), the axion and photon fields, put into some medium ($m_{\gamma}\equiv m_{a}$), need to remain in phase over the length of the magnetic field. This coherence condition is met when $qL\leqslant\pi$, and along with (7) lets one obtain the following remarkable relation [ref014] between the medium density variations and axion mass variations for the coherent case of $q\to 0$, i.e. $m_{\gamma}\equiv m_{a}$ $\frac{\Delta\rho}{\rho}=2\frac{\Delta m_{a}}{m_{a}}=\frac{4\pi E_{a}}{m_{a}^{2}L_{OT}}$ (23) It is easy to show that for the mean energy $E_{a}=4.2~{}keV$, axion mass $m_{a}=17~{}eV$ and the thickness of the overshoot tachocline zone $L_{OT}=7.25\cdot 10^{7}~{}m$ the density variations in (23) are $\sim$10-13. It means that the inverse coherent Primakoff effect takes place only when the variations of the medium density inside a cylindric volume of the ”height” $L_{OT}$ (see Fig. 11b) do not exceed the value of $\sim$10-13. This is a very strong restriction, since it is hard to imagine any kind of a physical process in the magnetic flux tube (see Fig. 11b) which would ”freeze” the plasma (low-Z gas) in this magnetic volume so much so that this restriction on the density variations is fulfilled. Figure 11: (a) Magnetic loop tubes formation in the tachocline through the shear flows instability development; (b) ”Capillary” effect in magnetic tubes and the sketch of the axions (red arrows) conversion into $\gamma$-quanta inside the magnetic flux tubes containing the magnetic steps. Here $L_{OT}$ is the height of the magnetic shear steps. The tubes’ rotation is not shown here for the sake of simplicity; (c) Emergence of magnetic flux bundle and coalescence of spots to explain the phenomenology of active region emergence (adopted from [ref056], [ref066]). In other words, such mechanism that would validate the possibility of such locally ”frozen” plasma existence is not known to us. At the same time, there are some arguments suggesting that such limitation is possible. First of them is related to the experimentally obtained solar images (Fig. 13, adapted from [ref014]) from the Japanese X-ray telescope Yohkoh (1991-2001) which illustrate the solar X-ray activity during the last maximum of the 11-year solar cycle (Fig. 13b). There is currently no model alternative to the axion mechanism of sun luminosity which would have described the anomalous distribution of the X-ray radiation over the active Sun surface. The second argument is related to finding of the axion with mass $m_{a}=17~{}eV$ during the study of the EBL spectral intensity (see Section 5). On the one hand, this experimentally established fact suggests that the solar axions with mass $m_{a}=17~{}eV$ are not only a theoretical prediction, but they really exist; and on the other hand, it is crucial for substantiation of the axion mechanism of Sun luminosity and the solar dynamo – geodynamo connection. Finally, the third argument is related to the lack of understanding the link between the magnetic tubes formation and lifetime in the tachocline, and the length of the solar cycle. It means that we do not understand the mechanisms of solar activity as well as the processes of generation, accumulation and release of the magnetic energy responsible for the 11-year solar cycle as yet. This is applies especially to the current level of understanding of the causes and effects of the differential rotation and meridional circulation in the tachocline. Let us remind that the tachocline is a thin transitional zone with the width of only $0.05R_{S}$, where the latitudinal differential rotation of the convective zone turns into almost solid-body rotation of the radiative zone (e.g. [ref245]). It is generally believed that the main process of magnetic field generation – solar dynamo – responsible for the 11-year cycle takes place in this zone [ref246]. However, there are no evidence of the 11-year variations in the tachocline so far.Instead, mysterious variations of the rotation velocity with period of 1.3 year are observed here [ref247], and curiously enough, they coincide with en estimate of the magnetic flux tube lifetime in the convective zone [ref065]. Although there is no deep and detailed understanding of the magnetic tubes formation in the tachocline, one may assume the following picture of this process in the framework of the axion mechanism of Sun luminosity.First of all, numerous magnetic tubes appear (Fig. 11a) as a consequence of the shear flows instability development in the tachocline. As is shown in Appendix B, the pressure inside such tubes is ultralow, which directly leads to formation and ”floating-up” of the magnetic steps in these tubes (Fig. 11b). In other words, a kind of ”capillary” effect is observed in this case. The whole picture of the magnetic tube spatio-temporal evolution in the convective zone depicted at Fig. 11 leaves the question about the locally ”frozen” plasma existence open, but at the same time it illustrates the process of axions conversion into $\gamma$-quanta in the overshoot tachocline and thus the mechanism of sun luminosity and active solar regions formation in the photosphere (Fig. 11c). By normalizing the expression (22) the probability of the total conversion of axions into photons is assumed to be equal to a unit at given parameters of the magnetic field, i.e. $P_{a\to\gamma}=1$. The primary criterion for such choice of the axion-photon coupling strength is the assumption about the maximum contribution of the luminosity produced by the axion to $\gamma$-quanta conversion in the tachocline zone (see Fig. 6c,d) into the total Solar luminosity ($\Lambda_{Sun}$) during the active phase. $\displaystyle\Delta_{a}\cdot\left[\Phi_{Pr}\cdot\left\langle E_{a}\right\rangle_{Pr}+\Phi_{Brems}\cdot\left\langle E_{a}\right\rangle_{Brems}+\Phi_{Compt}\cdot\left\langle E_{a}\right\rangle_{Compt}+\Phi_{M1}\cdot\left\langle E_{a}\right\rangle_{M1}\right]\times$ $\displaystyle\times(4\pi R_{SE}^{2})\times P_{a\rightarrow\gamma}=\Lambda_{Sun},$ (24) where777In the balance Eq. (24) we considered M1 transition of the 57Fe nuclei only and ignored the 55Mn and 23Na nuclei, because the favorable Boltzman factor of 57Fe produces the largest cooling rate near $T_{8}\sim 1$ [ref099]. $\Delta_{a}=0.90$ is a portion of the axion flux that transforms into $\gamma$-quanta in the tachocline by the inverse Primakoff effect888The choice of the $\Delta_{a}$ value is dictated by the spatial geometry of the solar tachocline zone (see Fig. 6c,d) which is described in more detail below (see Fig. 9). Let us note that the portion of the ”invisible” axions equal to $(1-\Delta_{a}$) satisfies the neutrino limit on axions, i.e. the Gondolo- Raffelt criterion [ref080, ref100] at the same time.; $P_{a\to\gamma}=1$; $\Lambda_{Sun}=3.84\cdot 10^{26}\pm 1.5\%~{}W$ [ref084, ref101]; $R_{SE}=1.496\cdot 10^{13}~{}cm$ is the distance from the Earth to the Sun; $\langle E_{a}\rangle_{Pr}=4.2~{}keV$, $\langle E_{a}\rangle_{Brems}=1.6~{}keV$, $\langle E_{a}\rangle_{Compt}=5.1~{}keV$, $\langle E_{a}\rangle_{M1}=14.4~{}keV$ are the average energies of the solar axions spectra; $\Phi_{Pr}$, $\Phi_{Brems}$, $\Phi_{Compt}$, $\Phi_{M1}$ are the integral solar axions fluxes generated by the Primakoff effect, the bremsstrahlung, the Compton process and the M1 transition in the 57Fe nuclei on the Sun respectively, which were obtained using the known differential spectra $d\Phi_{Pr}/dE$ [ref025], $d\Phi_{Brems}/dE$ [ref006], $d\Phi_{Compt}/dE$ [ref006], $d\Phi_{M1}/dE$ [ref002]: $\Phi_{Pr}=3.75\cdot 10^{31}g_{a\gamma}^{2}~{}~{}cm^{-2}s^{-1},$ (25) $\Phi_{Brems}=1.43\cdot 10^{35}g_{ae}^{2}~{}~{}cm^{-2}s^{-1},$ (26) $\Phi_{Compt}=2.16\cdot 10^{34}g_{ae}^{2}~{}~{}cm^{-2}s^{-1},$ (27) $\Phi_{M1}=1.66\cdot 10^{23}g_{an}^{2}~{}~{}cm^{-2}s^{-1};$ (28) where $g_{a\gamma}$, $g_{ae}$, $g_{an}$ are the axion coupling constants to photons ($g_{a\gamma}$), electrons ($g_{ae}$) and nucleons ($g_{an}$) respectively999Although Eqs. (25)-(28) were obtained in the framework of the standard model of the Sun, they may be applied to the axion model as well, since the basic thermodynamic parameters (temperature, pressure, plasma density etc.) of the solar core are roughly the same in both models, and almost all the axions are produced in the solar core, regardless of the exact way of their birth.. We obtained only the axion-photon coupling constant $g_{a\gamma}$ (see (22)) out of the three axion coupling constants so far. Next it is not too hard to estimate the axion-nucleon coupling constant basing on the hadronic axion models [ref102, ref103]. $g_{an}=|g_{0}\beta+g_{3}|,$ (29) where $g_{0}=-\frac{m_{N}}{6f_{a}}\left[2S+(3F-D)\frac{1+z-2w}{1+z+w}\right],$ (30) $g_{3}=-\frac{m_{N}}{2f_{a}}\left[(D+F)\frac{1-z}{1+z+w}\right].$ (31) Here the value $\beta=-1.19$ for the M1 transition in the 57Fe nucleus was calculated in [ref102, ref103]; spontaneous breaking of the PQ-symmetry (in view of (10)-(11)) takes place at the energy $f_{a}\approx 0.119\cdot 10^{6}$ GeV; $m_{N}=939$ MeV is the nucleon mass. The exact values of $D$ and $F$ parameters determined from semileptonic hyperon decays are equal to $D=0.808\pm 0.006$ and $F=0.462\pm 0.011$ [ref104]. Parameters $z=m_{u}/m_{d}\approx 0.56$ and $w=m_{u}/m_{s}\approx 0.029$ are quark mass ratios [ref032, ref033]. The parameter $S$ characterizing the flavor singlet coupling still remains a poorly constrained one. Its value varies from $S=0.68$ in the naive quark model down to $S=−0.09$ which is given on the basis of the EMC collaboration measurements [ref105]. The more stringent boundaries ($0.37\leqslant S\leqslant 0.53$) and ($0.15\leqslant S\leqslant 0.5$) were found in [ref106] and [ref107], accordingly. As a result the value of the sum (29) may significantly decrease and, due to negativity of the parameter $\beta$, actually vanish. Taking into account that the usually accepted value of $u$\- and $d$-quark mass ratio $z=0.56$ can vary in $0.35\div 0.6$ range [ref108], the exact interpretation of experimental results is significantly restricted. Calculations performed using the expressions (29)-(31) and (13) let one derive the value of $g_{an}=2.46\cdot 10^{-6}$ for the axion-nucleon coupling constant at $S=0.55$. However, it should be noted that such a model-dependent value does not suit our needs, and here is why. It is easy to show using (28) that the luminosity $\Lambda_{M1}$ of the axions produced by M1 transition of 57Fe nuclei depends on the solar photon luminosity $\Lambda_{Sun}$ in the following way101010Here we follow the calculations by Derbin (e.g. [ref003]), that is why the expression (32) differs slightly from the analogous expression (2.13) in [ref110]. The difference mainly comes from the different values of the Doppler spectrum broadening used during the calculation of the monoenergetic solar axions flux produced by the ${}^{57}Fe$ nuclear de-excitations (e.g. [ref003, ref110]).: $\Lambda_{M1}\cong 2.8\cdot 10^{9}g_{an}^{2}\Lambda_{Sun},$ (32) Substituting the value of $g_{an}=2.46\cdot 10^{-6}$ into (32) we derive that the relative axion luminosity $\Lambda_{M1}$ is about $\sim 2\%$. This value is inadmissible for the axion mechanism of Sun luminosity, because otherwise the resulting solar photon spectrum (Fig. 7) would contain a rather high peak near $E_{a}=14.4$ keV. As a matter of fact, if it is there, then it is very weak considering the spectrum uncertainty in this band (see Fig. 9 in [ref109]). In this connection let us from now on assume that the relative axion luminosity $\Lambda_{M1}$ is $\Lambda_{M1}/\Lambda_{Sun}=0.003.$ (33) The choice of such relation was made so that the relative axion luminosity $\Lambda_{M1}$ allowed the 14.4 keV peak existence within the experimental Sun photon spectrum uncertainty and conformed to the axion-mucleon coupling constant from the theoretically allowed limitations known as the SN1987A limit ($3\cdot 10^{-7}\leqslant g_{an}\leqslant 10^{-6}$ [ref111, ref112]). Substituting (33) into (32) we obtain a consistent value of the axion-nucleon coupling constant111111Hereinafter by $g_{an}$ and $g_{ae}$ we always mean $|g_{an}|$ and $|g_{ae}|$ respectively. $g_{an}\cong 3.2\cdot 10^{-7}.$ (34) Now let us turn again to Eq. (22) which describes the axion mechanism of Sun luminosity hypothesis. Apparently, the found axion coupling constants to photons ($g_{a\gamma}=7.07\cdot 10^{-11}~{}GeV^{-1}$) and nucleons ($g_{an}=3.2\cdot 10^{-7}$) let one calculate the axion-electron coupling constant ($g_{ae}$) by means of Eqs. (22)-(28). It turned out to be $g_{ae}\cong 5.28\cdot 10^{-11}.$ (35) It is interesting to note that within such approach, bremsstrahlung ($\sim 2.59\cdot 10^{26}$ W) has the major part in the Solar luminosity, which is $\sim 67.48\%$, while the Compton process ($\sim 1.24\cdot 10^{26}$ W), the Primakoff effect ($\sim 3.19\cdot 10^{23}$ W) and the M1 transition of 57Fe nuclei ($\sim 9.93\cdot 10^{22}$ W) make 32.41%, 0.08% and 0.03% respectively. Differential solar axions spectra as observed at the Earth originating from bremsstrahlung, the Compton process, the Primakoff effect and M1 ground-state nuclear transition in solar 57Fe are shown on Fig. 2b. Thus, it is obvious that the mechanism of luminosity and the X-ray spectrum shape for the active and quiet Sun (Fig. 7) can be easily explained by our model, in which axions are converted into $\gamma$-quanta in the solar tachocline under certain conditions. First of all, the $\gamma$-quanta energy spectrum generated by axions in the solar tachocline zone due to the channeling effect practically does not change to the boundary of the photosphere of the Sun, where it transforms because of the Compton scattering, as is shown in Figs. 6c,d and Fig. 7. And, finally, it is obvious that the integral of this spectrum (see Fig. 7) by virtue of the equality (24) coincides by the order of magnitude with the estimation of the Sun luminosity. ### 2.5 Invisible axions and Solar Equator effect As it was already stated before, the solar magnetic field variations (Fig. 3) must drive (with the help of the solar axions and the inverse Primakoff effect) the total solar irradiance (TSI) and 14.4 keV axions variations at the same time (see the inset in Fig. 12). It is important to note here that, however strange it may seem, TSI variations are not the modulator of the Earth climatic system (ECS) global temperature, because the strong inverse121212A lot of climatologists still believe that it is the TSI variations that are responsible for the Earth global temperature variations obstinately disregarding the facts of a very small contribution of TSI variations into the energy balance in the Earth atmosphere and the inverse correlation between TSI and global temperature variations (see Fig.1 in [ref009], where the ocean level is a proxy for the global temperature). correlation with the 22-year lag is observed between them [ref009]. And vice versa, the variations of the solar axion flux manifest the strong positive correlation with the global temperature variations with the same time lag. This fact plays a key role in the new global climate theory [ref113, ref114, ref115], which considers the variations of the 14.4 keV solar axions (which are resonantly absorbed in the Earth core) a trigger-like modulator of all the thermal processes in ECS and, particularly, in the atmosphere. However, this problem requires a special discussion and therefore will be examined in a separate paper. Figure 12: Time evolution of $P_{a\to\gamma}$ and TSI during 1975-2010. Inset: time evolution of (a) the variations of the magnetic flux in the tachocline zone of the Sun [ref012]), (b) TSI annual variations [ref101]. Curves are smoothed by the sliding intervals in 5 and 11 years. On the other hand, as follows from Fig. 12, the TSI variations during the active phase of the Sun are so small ($\sim 1~{}W/m^{2}$ [ref101]), that the relative portion of 14.4 keV axions must also be small at the Earth. $p_{TSI}=\frac{\Delta R_{a}}{R_{a}}=\frac{(TSI)\cdot 4\pi r_{SE}^{2}}{L_{Sun}}\sim 10^{-3}$ (36) Therefore their heat power in the Earth core $\mathcal{R}=p_{TSI}\cdot R_{a}\cdot N_{Fe}^{57}\cdot E_{a}\sim 20~{}~{}W,$ (37) is not enough not only for the geomagnetic field generation (which requires at least $\geqslant$0.1 TW [ref018]), but for the geomagnetic field variations also ($\sim$0.01 TW). Here $R_{a}=5.16\cdot 10^{-3}g_{an}^{4}$, $N_{Fe}^{57}\sim 3\cdot 10^{47}$ is the number of 57Fe nuclei in the Earth core, $E_{a}=14.4$ keV is the 57Fe solar axions energy. At the same time it is not difficult to see that the relative part of the axions $\Delta_{a}$ that are almost not affected by the Primakoff effect in the polar ($\Delta_{pol}$) and equatorial ($\Delta_{equ}$) sectors of the tachocline zone (Fig. 13) is a considerable quantity: Figure 13: Top: Solar images at photon energies from 250 eV up to a few keV from the Japanese X-ray telescope Yohkoh (1991-2001) (adapted from [ref014]). The following is shown: on the left, a composite of 49 of the quietest solar periods during the solar minimum in 1996. On the right, the solar X-ray activity during the last maximum of the 11-year solar cycle. According to Fig. 6 (and Fig. 13, bottom) most of the X-ray solar activity (right) occurs at a wide bandwidth of $\pm 45^{\circ}$ in latitude, being homogeneous in longitude. Note that $\sim 95\%$ of the solar magnetic activity covers this bandwidth [ref116] (see also a similar topology for microflares measured with RHESSI [ref117]). Bottom: Schematic picture of the solar tachocline zone, the Earth’s liquid outer (the red region) and inner (the brown region) core. Blue lines on the Sun designate the magnetic field. In the tachocline axions are converted into $\gamma$-quanta, which form the experimentally observed solar photon spectrum (Fig. 7) after passing through the photosphere. Solar axions moving towards the poles (blue cones) and in the equatorial plane (blue bandwidth) are not transformed by the Primakoff effect, since the magnetic field vector is almost collinear to their momentum vector in these regions. Solar axions are then resonantly absorbed by iron in the Earth core transforming into $\gamma$-quanta, which are the supplementary energy source in the Earth core (see the text). $\Delta_{a}=\Delta_{equ}^{a}+\Delta_{pol}^{a},$ (38) If we assume that the equatorial surface ($S_{equ}$) formed by two cones going from the center of the Sun, and a part of the sphere with the radius of the Sun ($R{Sun}$) has the dihedral angle of $\sim 5^{\circ}$, it is easy to show that131313This estimate was made on the basis of the numerous computational experiments on magnetic field evolution in the convective zone of the Sun (e.g. [ref012] and Refs. therein). $\Delta_{equ}^{a}=\frac{S_{equ}}{S_{Sun}}\sim 0.05.$ (39) The expression (39) means that because of the quasi-collinearity of the Earth and Sun rotation axes, the main axion flux directed towards the Earth originates from the equatorial sector of the Sun (Fig. 13). In this connection a short remark should be made regarding the anti-correlation between the solar magnetic field and geomagnetic field variations. Weak variations of TSI are obviously produced by the solar magnetic field variations. The same solar magnetic field variations are the cause of the ”equatorial” axion flux variations. In other words, the ”equatorial” effect not only generates the ”invisible” axions, but also modulates their intensity inversely proportional to the solar magnetic field changes, producing the observed inverse correlation between them (Fig. 11). The latter is supposed to be the main cause of the anticorrelation between the solar magnetic field variations and the geomagnetic field variations. The assumptions used to derive the expressions (16) and (39) are called forth by the necessity of justification both the axion mechanism of Sun luminosity and the axion mechanism of solar dynamo – geodynamo connection, and will be additionally substantiated below. ### 2.6 Power required to maintain the Earth magnetic field and nuclear georeactor It is not hard to show that the resonant absorption rate of 14.4 keV solar axions in the Earth core, which contains the $N_{Fe}^{57}$ nuclei of 57Fe isotope, is about [ref003] $R_{a}\cong 5.16\cdot 10^{-3}g_{an}^{4}\cdot N_{Fe}^{57}\cdot\Delta_{equ}^{a},$ (40) where $\Delta_{equ}$ is the portion of axions reaching the Earth via the solar equator effect (see (39)). It is known, that the number of 57Fe nuclei in the Earth core is $N_{Fe}^{57}\sim 3\cdot 10^{47}$ and the average energy of 57Fe solar axions is $E_{a}=14.4$ keV. Then with an allowance for Eq. (40) and the value of the axion-nucleon coupling constant (35) the maximum energy release rate $\Delta D_{ohmic}^{a}$ in the Earth core is equal to $\Delta D_{ohmic}^{a}=R_{a}\cdot E_{a}\simeq 1.2~{}~{}kW.$ (41) This estimate of the heat power supplied to the Earth core by the absorbed axions (41) apparently is much less then the value necessary to generate the magnetic field of the Earth ($\geqslant 0.1$ TW [ref018]). Moreover, it is small even in comparison with the heat power fluctuations ($\sim$0.01 TW) responsible for the geomagnetic field variations in the Earth core (see the inset in Fig. 12). It is easy to illustrate this using the known dependence of the core magnetic field $B_{in}$ on ohmic dissipation $D_{ohmic}$ in the Earth core [ref018, ref082, ref118] in the form: $D_{ohmic}=\frac{\eta\cdot V}{\mu\cdot l_{B}^{2}}B_{in}^{2}\sim 0.1~{}~{}TW,$ (42) where $\eta\sim 2~{}m^{2}/s$ is magnetic diffusivity [ref017], $V=(4/3)\pi R_{C}^{3}$ is the volume of the Earth core, $R_{C}=3480~{}km$ is the radius of the Earth core, $\mu\sim 1$ is permeability, $l_{B}\sim 0.8\cdot 10^{5}~{}m$ is the characteristic length scale on which the field vector changes [ref017], $B_{in}\sim 4~{}mT$ is the core magnetic field [ref119]. In order to estimate the heat power fluctuations $\Delta D_{ohmic}$ responsible for the magnetic field variations in the Earth core let us represent (42) in differential form: $dD_{ohmic}=\frac{2\eta\cdot V}{\mu\cdot l_{B}^{2}}B_{in}dB_{in},$ (43) The right-hand side of (43) contains the known estimates except for the magnetic field fluctuations $\Delta B_{in}\sim dB_{in}$. On the other hand, there are well known long-term records of magnetic field variations measured on the Earth surface (e.g. [ref013]). This lets us estimate $dD_{ohmic}$ by writing down the expression (40) in the following form: $dD_{ohmic}=\frac{2V}{\mu}B_{in}\frac{dB_{in}}{dt},$ (44) where the magnetic field variations ($dB_{in}/dt$) in the Earth core appear after taking into account the magnetic diffusion $dB_{in}\cong\frac{dB_{in}}{dt}\delta t=\frac{dB_{in}}{dt}\cdot\frac{l_{B}^{2}}{\eta}.$ (45) If one also takes into account the known relation between the inner ($dB_{in}/dt$) and outer ($dB_{out}/dt$) geomagnetic field variations [ref120], $\frac{dB_{out}}{dt}=\left(\frac{\gamma R_{C}}{R_{E}}\right)^{2}N\cdot\frac{dB_{in}}{dt},$ (46) then it is possible to make an estimate of the ohmic dissipation fluctuations ($\Delta D_{ohmic}\sim dD_{ohmic}$) basing on (43)-(45) necessary for inducing a certain number $N$ of Taylor cells in the core [ref120]. $\Delta D_{ohmic}=\frac{2V}{\mu}B_{in}\left(\frac{R_{E}}{\gamma R_{C}}\right)^{2}\frac{dB_{out}}{dt}\simeq 0.02~{}~{}TW,$ (47) Here $R_{E}=6357~{}km$ is the radius of the Earth, $\gamma=0.1$ [ref120], $(dB_{out}/dt)\approx 20~{}nT/yr$ is the annual variation of the external magnetic field of the Earth core [ref121, ref020]. A natural question arises from the stated above about the way that 14.4 keV solar axions may provide an effective mechanism of solar dynamo – geodynamo connection while supplying a rather low heat power. In other words, how does this problem reduce to the mechanism of small heat perturbations critical influence on the convective process in the Earth liquid core. The problem is stated this way because if there is an effective mechanism of convective instabilities generation by weak heat perturbations in the Earth liquid core, then this effect may simultaneously cause substantial weakening of the convective heat removal from the Earth solid core. The intense weakening of the heat removal from the Earth solid core surface, in its turn, causes the corresponding temperature increase in the solid core boundary layer. This is very important because it promotes the subsequent effective convection stability recovery in the liquid core. There are strong grounds to believe that there is a natural nuclear georeactor operating at the boundary between the Earth solid core and liquid core. The analysis of the KamLAND experiment neutrino spectra for 2002-2008 shows that the heat power of this non-stationary traveling wave reactor (TWR) is about 30 TW [ref122, ref123, ref124]. The heat power of such TWR depends on the nuclear fuel composition and the medium temperature. The latter is because of the fact that according to [ref123, ref124], 238U and 239Pu capture and fission cross- sections depend quasi-linearly on the temperature of the neutron- multiplicating medium in the 3000-5500 K range (Fig. 14). Figure 14: Dependence of (a) capture cross-sections and (b) fission cross- sections for 235U (blue), 238U (green), and 239Pu (red) averaged over the neutron spectrum on the fuel medium temperature for the limiting energy (3kT) of the Fermi and Maxwell spectra [ref124]. The neutron spectra averaging procedure was applied for the concentrational fuel composition of the nuclear georeactor discussed in [ref122]. These peculiarities of TWR are responsible for the positive feedback that leads to the reactor heat power increase after the corresponding boundary layer temperature increase (see Fig. 14). The georeactor heat power growth lasts until the steady heat removal from the TWR is reestablished, which implies restoration and stabilization of the convection in the Earth liquid core. Now let us turn back to the physical essence of the axion mechanism of the weak convective instability thermal perturbations in the liquid core. In this connection it should be noted that the convection in the Earth core is compositional. It means that there are some light elements originating, in particular, from the 239Pu nuclei fission which take part in the convection along with the ”iron” component [ref122, ref123, ref124]. It turns out that the convective instability may appear in such media even under hydrostatically stable density stratification, i.e. when the density decreases with height [ref125, ref126, ref127]. It is known that the phenomenon of the convective instability caused by the double (differential) diffusion was discovered rather long ago and has been described in numerous overviews and monographs in detail (e.g. [ref125, ref126, ref127]). The principal role in this case usually belongs to the difference between the two hydrodynamic components of heat and admixture [ref125]. The convection caused by double diffusion is generally believed to appear when the thermal medium stratification is stable, while the weakly diffusing admixture (e.g. light elements) introduces a destabilizing contribution into the density stratification. Although this contribution may be relatively small, it may be enough for destabilization of a stably stratified (in terms of density) system owing to the mentioned effects [ref127]. However, we are interested in the conditions of the convective instability formation in a qualitatively different situation, particularly, when a weakly diffusing admixture, on the contrary, introduces a stabilizing contribution into the density stratification. This contribution may even exceed the thermal instability in absolute value. Such possibility may seem paradoxical at first glance since due to double diffusion effects the slowly diffusing admixture usually has the much greater impact on the convective instability than the quickly transportable heat, all other factors being equal. Let us show that this is not always the case by analyzing the situation when there is a slow background motion along the gravity force described in [ref127] in detail. A problem on convection on the background of the slow (relative to the characteristic speed of the studied convective motions) vertical motion was first considered in [ref128]. It is of a considerable interest for us, since the resonant absorption of 14.4 keV solar axions in the iron nuclei may be considered as a process that induces a slow descending background motion (Fig. 15a) in the convective medium of the liquid core. Figure 15: (a) A sketch of the thermal convection with the resonant absortion of 14.4 keV solar axions by iron nuclei producing the 14.4 keV $\gamma$-quanta flux (red arrows). Here $\gamma$-quanta flux emulates a slow background descending motion in the convecting medium. The green arrow denotes the convection direction. (b) Distortion of the vertical background temperature distribution by the downward motion: (1) the zero background vertical velocity, $w=H/h=0$; (2) $w=10$ (adapted from [ref127]). Following [ref127], let us consider a single-component medium with its density depending on the temperature $T$ only (neglecting the admixture stratification effects). In other words, we are considering a modification of the classical Rayleigh-Bénard problem on the convective stability of a liquid between two horizontal plates [ref125]. A slow vertical motion along the gravity force is assumed to be present in the background state. For the sake of simplicity let us consider a motion with the velocity $W<0$ independent of the vertical coordinate $z$ counted from the top boundary. Let us also consider the bottom and top boundaries temperatures $T_{bot}$ and $T_{top}$ fixed and denote the difference between them by $\Delta T$. Heat transfer in the background flow is described by the equation $-W\frac{dT}{dz}=\kappa\frac{d^{2}T}{dz^{2}},$ (48) where $\kappa$ is the thermal diffusivity. A solution for the two boundary conditions mentioned above may be written down in the form $\Theta(z)=\frac{\exp(-\xi)-\exp(-w)}{1-\exp(-w)}.$ (49) Here $\Theta(z)=[T(z)-T_{top}]/\Delta T$ is the dimensionless temperature deviation, $\xi=h/\kappa$ is the dimensionless vertical coordinate, and $h=\kappa/W$ is the reference height associated with the vertical motion (infinity in the quiescent fluid). The key dimensional parameter is $w=\frac{H}{h}=W(H/\kappa),$ (50) where $H$ is the fluid layer thickness. In the absence of the background vertical motion (in the limit $W\to 0$, $h\to\infty$, and $w\to 0$), the result is the expected linear profile $\Theta=1-z/H,$ (51) i.e. the solution whose stability is analyzed in the classical Rayleigh-Bénard problem. Fig. 15b shows the vertical profiles of (51) for $w=0$ and $w=10$ [ref127, ref128]. Apparently, the background medium sinking ”pushes” almost all temperature difference $\Delta T$ to the bottom boundary where it concentrates within a layer with the thickness $h=\kappa/W$. Generally speaking, a rigorous stability study of the stationary state with a curvilinear temperature profile and the background sinking is a rather complex problem. An estimate of the effective Rayleigh number for the bottom sublayer, which incorporates virtually all the vertical temperature difference $\Delta T$ (Fig. 15b), was made on the basis of the simple physical reasoning in the paper [ref128]. $Ra\sim\frac{\alpha\cdot g\cdot\Delta T\cdot h^{3}}{\kappa\nu}\sim\frac{\alpha\cdot g\cdot\Delta T\cdot\kappa^{2}}{\nu\cdot W^{3}},$ (52) Here $\alpha$ is the thermal expansion coefficient of the fluid, $\nu$ is the kinematic viscosity, and $g$ is the gravitational acceleration. Let us denote the value of the effective Rayleigh number, which corresponds to the loss of stability, by $Ra_{cr}$. The sinking rate sufficient for stability loss prevention in this case is expressed by the equation $W_{cr}\sim\left(\frac{\alpha\cdot g\cdot\Delta T\cdot\kappa^{2}}{\nu\cdot Ra_{cr}}\right)^{1/3}\sim 10^{-4}~{}~{}m\cdot s^{-1},$ (53) where $Ra_{cr}$ is a complex function of $\varepsilon$ [ref129] $Ra_{cr}\sim E^{1.16}\left[0.21\varepsilon^{-2}+22.4(1-\varepsilon^{2})^{1/2}\right]\sim 10^{-6},~{}~{}\varepsilon=R_{in}/R_{out},$ (54) For example, setting $\kappa\sim 0.1~{}m^{2}\cdot s$, $\nu\sim 10^{3}~{}m^{2}\cdot s$ (effective turbulent transport coefficients characteristic for the liquid core [ref130]), $\alpha\sim 10^{-5}~{}K^{-1}$ [ref131], $\Delta T\sim 1000~{}K$ [ref131], $g=11~{}m\cdot s^{-2}$ [ref131], $E\sim 10^{6}$ is the Ekman number for a given $\kappa$ [ref130], one obtains $W_{cr}\leqslant 10^{-4}~{}m\cdot s^{-1}$. It is interesting to note that the background sinking leads to an effective Rayleigh number decrease, i.e. $Ra_{cr}<Ra$, where $Ra>10^{6}$ is Rayleigh number in Earth core [ref131], and consequently, to a decrease in convective instability formation probability. This value of downward velocity is also in good agreement with the value of the characteristic velocity of the Earth core convection ($\sim 4\cdot 10^{-4}~{}m\cdot s^{-1}$ [ref130]), while the results obtained in both field experiments and numerical simulations (see Fig. 15b) demonstrate that downward flow with this velocity suppresses convection [ref128]. Now let us pass on to a two-component medium which has its unstable thermal stratification under the absence of the vertical motion overcompensated by a stable admixture stratification. As is shown in [ref128], if there is a slowly diffusing admixture stratification along with the temperature stratification (light elements in our case), admixture is suppressed by the background movement more effectively than the heat in such two-component medium. In other words, even the presence of a very slow downward movement may pull the admixture down as opposed to the heat and thus cancel its stabilizing effect, and the system becomes unstable. It is also known that the temperature profile may be deformed as well under more intense background motions. It is important to keep in mind that the mentioned effects are possible under very small vertical velocities of the background motions. As the authors of [ref128] point out, we are dealing with a new kind of instability. Note, however, that the times required for a system to evolve into the unstable steady states considered above may be very large [ref128]. It may be concluded that the vertical background motions may prevent the convective instability formation in the single-component media while leading to a destabilization of a two-component medium layer. It happens because the background motions are an immediate cause of the effective vertical drift of a slowly diffusing admixture. An important fact to remember is that the above- mentioned effects are possible even under very small vertical background motion velocities141414It is interesting to note here that a problem on convection in presence of the slow background motions is extremely urgent for the known geophysical applications related to e.g. cloud patterns and atmospheric circulation [ref128, ref132, ref133, ref134]. For example, the atmospheric and oceanic convection often takes place on the background of the processes with much larger horizontal scales (cyclones and anticyclones) which are characterized by the average vertical motions several orders of magnitude slower than those that appear during a convective instability formation. According to the natural experiments [ref134], even a slow background sinking of the medium can effectively suppress the convection in the atmosphere.. The problem on convective instability caused by the background motion is examined in its simplest form so far. The rotation effects, magnetic field influence, nonlinear background motion velocity etc. were not taken into account here, but all of them are actually present in a traditional composite media magnetohydrodynamics in the Earth core. A detailed consideration of these effects is beyond the scope of the present paper. The purpose of the current section is to demonstrate a possibility of a nontrivial impact of background motions, which may be produced by the resonant absorption of the ”iron” solar axions along with the convection in the Earth liquid core, within a simple model. Thus, the essence of the axion mechanism of solar dynamo – geodynamo connection lies in the following. The resonant absorption of 14.4 keV solar axions by the iron of the Earth core induces a vertical background motion along the gravity force (Fig. 15a), which in its turn ”pulls” almost all the temperature difference $\Delta T$ down to the bottom of the liquid core (Fig. 15b) and concentrates it within a layer of the thickness $h=\kappa/W$. As it was noted above, this effect takes place both in single-component and in two- component media. An important result of these processes is a substantial attenuation of a heat removal from the Earth solid core surface which leads to a corresponding temperature increase in the boundary layer between the liquid core and the solid core where the nuclear georeactor (TWR) resides. As it was shown in [ref124], one of the peculiarities of such TWR is that its heat power output depends both on the fuel composition and the medium temperature. It means that increase of the temperature in the boundary layer at the solid core and liquid core border leads to a corresponding increase of the nuclear georeactor power output (see Fig. 14). As a result, the georeactor heat power output grows until a steady heat removal is re-established, i.e. the convection is re- established and stabilized in the liquid core (up to the ”next” variation of the thermal perturbations by axions!). Therefore if such axion mechanism of solar dynamo – geodynamo connection exists, then the ohmic dissipation caused by a resonant 14.4 keV solar axions absorption in the Earth core should be connected with the heat power perturbations $\Delta D_{ohmic}$, responsible for the magnetic field variations in the earth core, by the following relations: $B_{in}=\xi\cdot B_{in}^{a},$ (55) $dD_{ohmic}=\xi^{2}dD_{ohmic}^{a},$ (56) where the trigger gain $\xi$ in our case (see (38) and (44)) is equal to $\xi\sim 3.4\cdot 10^{3}.$ (57) Here $B_{in}$ and $B_{in}^{a}$ are the magnetic fields in the Earth liquid core produced by the nuclear georeactor and the solar axions respectively. The physical sense of the expressions (55)-(56) reveals the reason why all of the known candidates for an energy source of the Earth magnetic field [ref015] cannot in principle explain one of the most remarkable phenomena in solar- terrestrial physics – a strong (inverse) correlation between the temporal variations of magnetic flux in the overshoot tachocline zone [ref012] and the Earth magnetic field (Y-component) [ref013] (Fig. 3). ## 3 Axion mechanism of Sun luminosity and CUORE experiment Recently a CUORE-experimental search was performed for axions from the solar core from 14.4 keV M1 ground-state nuclear transition in 57Fe [ref001]. The detection technique employed a search for a peak in the energy spectrum at 14.4 keV when the axion is absorbed by an electron via the axio-electric effect. The cross section for this process is proportional to the photo- electric absorption cross section for photons [ref135]: $\sigma_{ae}=\frac{\sigma_{pe}}{8\pi\alpha_{EM}}\left(\frac{2x_{e}^{\prime}m_{e}c^{2}}{f_{a}}\right)^{2}\left(\frac{\hbar\omega}{m_{e}c^{2}}\right)^{2},$ (58) where $x_{e}^{\prime}\approx 1$ , $m_{e}c^{2}$ is the electron mass in GeV, $\alpha_{EM}=1/137$, and $\sigma_{pe}=55.336~{}cm^{2}\cdot gm^{-1}$ is the photoelectric cross sections for TeO2 (taken from [ref136]). Substituting the values of these constants one may rewrite Eq. (58) in the following form: $\sigma_{ae}=\frac{2.18\cdot 10^{-11}~{}~{}GeV^{2}}{f_{a}^{2}}\cdot\left(\frac{E_{a}}{keV}\right)^{2}\sigma_{pe},$ (59) where $E_{a}$ is in keV and $f_{a}$ is the Peccei-Quinn scale in GeV. Hence the estimated absorption rate of 14.4 keV solar axions $N_{CUORE}$ detected by the axio-electric effect (58) in TeO2-detector ($m=3~{}kg$) of the CUORE experiment is $\Phi_{a}\cdot\pi\sigma_{ae}\cdot\varepsilon_{D}\leqslant N_{CUORE}=0.63~{}~{}count\cdot kg^{-1}d^{-1},$ (60) where $\varepsilon_{D}$ is the detection efficiencies; the flux $\Phi_{a}$ at the Earth (28) is $\Phi_{a}=1.66\cdot 10^{23}(g_{an})^{2}~{}~{}cm^{-2}s^{-1},$ (61) It is the Eq. (60) that made it possible for CUORE collaboration to place a bound (at $S=0.55$) on the axion coupling constant of $f_{a}\geqslant 0.76\cdot 10^{6}$ GeV at 95% C.L. (Fig. 16b). According to Eq. (10), the limit on $f_{a}$ translates into a mass limit $m_{a}<8$ eV. It is necessary to note that if one takes into account the axion mechanism of Sun luminosity and solar dynamo-geodynamo connection, expression (60) with respect to solar equator ($\Delta_{equ}^{a}\sim 0.05$), becomes $\Phi_{a}\cdot\pi\sigma_{ae}\cdot\varepsilon_{D}\leqslant\frac{N_{CUORE}}{\Delta_{equ}^{a}}=\frac{0.63}{\Delta_{equ}^{a}}~{}~{}counts\cdot kg^{-1}d^{-1},$ (62) In other words, within the framework of such mechanism, it is necessary to keep in mind that because of the solar equator effect, only a part of the total axion flux $\Phi_{a}$ (61) equal to $\Delta_{equ}\Phi_{a}$ arrives to the Earth. The solution (62) in this case lets us use the expressions151515Let us point out that that the expressions (63) and (64) used in CUORE experiment data processing are slightly different from the corresponding expressions (30)-(31) derived in [ref102, ref103]. [ref001] $g_{0}=-7.8\cdot 10^{-8}\left(\frac{6.2\cdot 10^{6}~{}GeV}{f_{a}}\right)\left(\frac{3F-D+2S}{3}\right),$ (63) $g_{3}=-7.8\cdot 10^{-8}\left(\frac{6.2\cdot 10^{6}~{}GeV}{f_{a}}\right)\left((D+F)\frac{1-z}{1+z}\right),$ (64) to determine (see Fig. 16a) the $f_{a}^{*}$ for a value of $S=0.55$161616It is appropriate to mention here that E143-experiment provided the value for the parameter $S$ equal to $0.30\pm 0.06$ [ref137]. $f_{a}^{*}\geqslant 0.353\cdot 10^{6}~{}~{}GeV,$ (65) calculate (see Fig. 16a) the value of axion-nucleon coupling constant (at $S=0.55$) $g_{an}^{*}\leqslant 4.8\cdot 10^{-7},$ (66) and estimate the axion mass by means of (10) and (65): $m_{a}^{*}\leqslant 17~{}~{}eV.$ (67) The estimates (66) and (67) demonstrate and excellent agreement with the axion-nucleon coupling constant (34) and axion mass (11) obtained in the framework of axion mechanism of Sun luminosity and solar dynamo – geodynamo connection. Figure 16: Expected rate in the axion region as a function of the $f_{a}$ axion constant for different values of the nuclear $S$ parameter. The horizontal line indicates the upper limit obtained in the present paper ($f_{a}\sim 0.353\cdot 10^{6}$ GeV for $S=0.55$) and in CUORE-experiment ($f_{a}\sim 0.76\cdot 10^{6}$ GeV for $S=0.55$) [ref001].The insets show the correspondence between the axion-nucleon coupling constant and Peccei-Quinn energy scale (a) in our model and (b) in CUORE-experiment. Bounds are given for the interval $0.15\leqslant S\leqslant 0.55$. These results make it possible to estimate the limit on the axion-electron coupling constant $g_{ae}$ as well. Derevianko et al. [ref138] and Derbin et al. [ref007] showed that the cross section $\sigma_{ae}(E_{a})$ for the axio- electric effect is proportional to the photoelectric cross section $\sigma_{pe}(E)$, and is given by the formula [ref007]: $\sigma_{ae}(E)=\sigma_{pe}(E)\frac{g_{ae}^{2}}{\beta}\frac{3}{16\pi\alpha}\left(\frac{E_{a}}{m_{e}c^{2}}\right)^{2}\left(1-\frac{\beta}{3}\right),$ (68) where $E_{a}$ is the axion total energy, $\beta$ is the axion velocity divided by the velocity of light, and $g_{ae}$ is the dimensionless axion-electron coupling constant. At $\beta\to 1$ and $\beta\to 0$, this formula coincides with the cross sections for relativistic and nonrelativistic axions obtained in [ref139]. Since the axion mass is small (see (67)), let us consider a relativistic form of Eq. (68) (i.e. the case of $\beta\to 1$) and compare it to the analogous expression (58). As a result of such comparison we derive the upper limit on axion-electron coupling constant with respect to (65): $g_{ae}^{*}=\frac{2x_{e}^{\prime}m_{e}}{f_{a}^{*}}\leqslant 2.89\cdot 10^{-9}.$ (69) The limit (69) obviously does not contradict the value of axion-electron coupling constant (35) obtained in the framework of axion mechanism of Sun luminosity. So it may be concluded that the new estimations for the strength of the axion- photon coupling ($g_{a\gamma}\sim 7.07\cdot 10^{-11}~{}GeV^{-1}$), the axion- nucleon coupling ($g_{an}\sim 3.2\cdot 10^{-7}$), the axion-electron coupling ($g_{ae}\sim 5.28\cdot 10^{-11}$) and the axion mass ($m_{a}\sim 17$ eV) obtained in the framework of axion mechanism of Sun luminosity and solar dynamo – geodynamo connection are in good agreement with the CUORE experiment data. It brings hope that this hypothesis will be justified by the future CUORE experiment with the expected exposure of $1.4\cdot 10^{6}~{}kg\cdot day$ which is significantly larger than the current one ($43.65~{}kg\cdot day$) [ref001]. ## 4 Axion mechanism of Sun luminosity and other important experiments In view of the axion mechanism of Sun luminosity, let us analyze the data of known experiments on measuring the axion coupling to photon, nucleon and electron for different axion mass ranges. ### 4.1 Axion coupling to a photon Fig. 17a shows virtually all the major experiments on estimating the limits of the axion-photon coupling constant. The statement of the problem in all presented experiments included the measurement of the axion flux that could be produced in the Sun by the Primakoff conversion of the thermal photons in the electric and magnetic fields of the solar plasma. The difference between these experiments consisted in the axion flux detection technique only: by the axion-to-photon reconversion (the inverse Primakoff effect) in laboratory transverse magnetic [ref026, ref110, ref140, ref141, ref142, ref143, ref144, ref145] and electric (the intense Coulomb field of nuclei in a crystal lattice of the detector plus the Bragg scattering technique [ref146, ref147, ref096, ref097, ref098, ref099]) fields. Figure 17: (a) Exclusion regions in the ”$m_{a}$ – $g_{a\gamma}$”-plane achieved by CAST in the vacuum [ref140, ref026], 4He and 3He phase [ref141]. We also show constraints from the Tokyo helioscope [ref142, ref143, ref144], BNL telescope [ref145], SOLAX [ref146], COSME [ref147], CDMS [ref148], DAMA [ref149] and the hot dark matter limit (HDM) for hadronic axions $m_{a}<1.05~{}eV/c^{2}$ [ref150] inferred from WMAP observations of the cosmological large-scale structure. The yellow band represents typical theoretical models with $|E/N-1.95|=0.07\div 7$. The red solid line corresponds to $E/N=0$ (the KSVZ model). The field theoretic expectations are shown together with the string theory $Z_{12-I}$ model of Choi, Kim, and Kim (the green line) [ref151, ref151a]. (b) Same as (a), but all the experimental data are corrected with account for the solar equator effect and a contribution of the Primakoff effect into the total Sun luminosity. A red star denotes the result obtained in the present paper. The new constants for the axion mechanism of Sun luminosity, obviously, should be calculated with due regard for the solar equator effect and Primakoff effect contribution into the total solar luminosity. It is not hard to show that in this case they should be $(g_{a\gamma}^{*})^{2}=\left(\frac{\Phi_{Brems}+\Phi_{Compt}+\Phi_{Pr}+\Phi_{M1}}{\Phi_{Pr}}\cdot\Delta_{equ}^{a}\right)^{-1}\cdot g_{a\gamma}^{2}$ (70) Hence, the values of the partial components of Sun luminosity ($\Phi_{Brems}\sim 67.48\%$, $\Phi_{Compt}\sim 32.41\%$, $\Phi_{Pr}\sim 0.08\%$, and $\Phi_{M1}\sim 0.03\%$) and the solar equator effect probability ($\Delta_{equ}\sim 0.05$) lead to a new value of $g_{a\gamma}^{*}$ constant: $g_{a\gamma}^{*}=1.26\cdot g_{a\gamma}.$ (71) Fig. 17b shows the new limits obtained for the axion mechanism of Sun luminosity taking into account (71) for the corresponding experiments. The change relative to the initial picture (Fig. 17a) is rather small, since the small contribution of the Primakoff effect into total Sun luminosity ”effectively” compensates the influence of the solar equator effect. At the same time it is interesting to note that our values for the axion-photon coupling constant ($g_{a\gamma}^{*}\sim 7.07\cdot 10^{-11}~{}GeV^{-1}$) and the axion mass ($\sim$17 eV) fit well into the existing limits (a red star in Fig.17). ### 4.2 Axion coupling to an electron Let us now consider the paper by Derbin et al. [ref007]. In this paper the axio-electric effect in silicon atoms is sought for solar axions appearing owing to bremsstrahlung and the Compton process. Axions are detected using a Si(Li) detector placed in a low-background setup. As a result, new model- independent constraints have been obtained for the axion-electron coupling constant and the mass of the axion. For axions with a mass smaller than 1 keV, the resulting bound is $g_{ae}\leqslant 2.2\cdot 10^{-10}$ (at 90% C.L.). Obviously, the new constants for the axion mechanism of Sun luminosity should be derived with due account taken of the solar equator effect and a contribution of bremsstrahlung and the Compton process into the total Sun luminosity. It is not hard to show that in this case they have the following form: $(g_{ae})^{2}=\left(\frac{\Phi_{Brems}+\Phi_{Compt}+\Phi_{Pr}+\Phi_{M1}}{\Phi_{Brems}+\Phi_{Compt}}\Delta_{equ}^{a}\right)^{-1}\cdot g_{ae}^{2}.$ (72) This time, the values of the partial components of Sun luminosity ($\Phi_{Brems}\sim 67.48\%$, $\Phi_{Compt}\sim 32.41\%$, $\Phi_{Pr}\sim 0.08\%$, and $\Phi_{M1}\sim 0.03\%$) and the solar equator effect probability ($\Delta_{equ}\sim 0.05$) lead to a new estimate of the $g_{ae}^{*}$ constant limit for the axions with a mass smaller than 1 keV: $g_{ae}^{*}\leqslant 4.47\cdot g_{ae}\cong 9.8\cdot 10^{-10},$ (73) where $g_{ae}\leqslant 2.2\cdot 10^{-10}$ [ref007]. Fig. 18b shows the new limitations obtained in the context of the axion mechanism of Sun luminosity for the corresponding experiments, according to (72). There is a substantial change in Fig. 18b relative to the initial Fig. 18a, because the relatively high contribution of bremsstrahlung and the Compton process into the total Sun luminosity cannot compensate the solar equator effect probability largely. At the same time, the determined values of the axion-electron coupling constant ($g_{ae}\sim 5.28\cdot 10^{-11}$) and the axion mass ($\sim$ 17 eV) fit rather well into the known limits (a red star in Fig. 18) Figure 18: (a) Summary of limits on axion-electron coupling. The limits shown include the astrophysical bound from the solar neutrino flux [ref080], dedicated axion experiments by Derbin using 169Tm [ref006] and Si(Li) [ref007]; CDMS, CoGeNT, DAMA and XMASS data obtained from [ref148, ref153, ref154, ref155]; (b) the data from (a) with a due correction associated with the solar equator effect and a contribution of bremsstrahlung and the Compton process into the total Sun luminosity, except for the astrophysical bound from the solar neutrino flux which is corrected for the contribution of the Compton process into total luminosity only. ## 5 Axion dark matter and extragalactic background light Naturally, having the complete axion ”portrait”, we are entitled to ask a question about the conditions of its detectability. In other words, provided that axions do exist, once they are produced, where are they likely to be found? Let us turn to the astrophysical observations. Since the current temperature of the cosmic microwave background radiation is $T\cong 2.35\cdot 10^{-4}~{}eV$ [ref156], axions are nonrelativistic and have been since before decoupling. Therefore axions should, in accord with the equivalence principle, fall with baryons and any other particles into the various potential wells which develop in the Universe [ref157]. The most likely place to find light relic axions is in clusters of galaxies and the halos of galaxies. It is always possible, however, that the lines of sight to localized regions are partially obscured by previously unrecognized amount of absorbing material, so that the decay photon flux is underestimated [ref158]. To get around this problem, we shall consider the diffuse extragalactic background (EBL) rather than the flux from any particular region of the sky. Before we proceed to the discussion of the axions emission and detectability questions, let us consider some important theoretical limitations on the axion parameters. So, within the framework of our mechanism, the new estimations of the strength of the axion coupling to a photon ($g_{a\gamma}\sim 7.07\cdot 10^{-11}~{}GeV^{-1}$), the axion-nucleon coupling ($g_{an}\sim 3.2\cdot 10^{-7}$) and the axion-electron coupling ($g_{ae}\sim 5.28\cdot 10^{-11}$) have been obtained. It is necessary to note that obtained estimations cannot be excluded by the existing experimental data (see Fig. 17 and Fig. 18), because the discussed above effect of solar axion intensity modulation by magnetic field variations in the solar tachocline zone was not taken into account in these observations. The obtained estimates for the strength of the axion-photon coupling and the axion-nucleon coupling also cannot be ruled out by the existing theoretical limitations known as the globular cluster star limit ($g_{a\gamma}<6\cdot 10^{-11}~{}GeV^{-1}$) and the red giant star limit ($g_{ae}<3\cdot 10^{-13}$) [ref100], since these values are highly model- dependent171717In this context it is interesting to quote a remark from the paper by Hannestad S., Mirizzi A., Raffelt G.G., and Wong Y.Y.Y. [ref150]: ”…In principle, $f_{a}\leqslant 10^{9}~{}GeV$ is excluded by the supernova SN 1987A neutrino burst duration… However, the sparse data sample, our poor understanding of the nuclear medium in the supernova interior, and simple prudence suggest that one should not base far-reaching conclusions about the existence of axions in this parameter range on a single argument or experiment alone. Therefore, it remains important to tap other sources of information, especially if they are easily available”.. That is to say these limitations have a high level of uncertainty because of the absence of the standard theoretical model for globular cluster stars and red giant stars (see, for example the analysis of theoretical models of the hot core in [ref100] the cross section for axion absorption in [ref112], and a note for Fig. 3 in [ref100]). There is one more important fact related to the so-called ”axion trapping” effect which was not taken into account quantitatively in the paper by Raffelt [ref100]. It is known [ref159, ref159a, ref160, ref161, ref162, ref163], that the axion flux from the supernova can be suppressed enough in two parameter regions [ref162, ref163]. If axion-nucleon-nucleon interaction is weak enough, the axion cannot be effectively produced in the core of the supernova. Quantitatively, for $f_{a}\geqslant 10^{9}~{}GeV$, the axion flux can be small enough not to affect the cooling process [ref159, ref159a, ref160, ref161, ref162]. On the contrary, if the axion interacts strongly enough, the mean free path of the axion becomes much shorter than the size of the core, and hence the axions cannot escape from the supernova. In this case, axion is trapped inside the so-called ”axion sphere”, and the axion emission is also suppressed. In this case, axions are emitted only from the surface of the axion sphere; this type of the axion emission is often called ”axion burst”. Quantitatively, for $f_{a}\leqslant 2\cdot 10^{6}~{}GeV$ (or equivalently, $m_{a}\geqslant 3~{}eV$), the axion luminosity from SN1987A is suppressed enough [ref159, ref159a, ref160, ref161, ref162, ref163]. For $f_{a}\leqslant 2\cdot 10^{6}~{}GeV$ suggested from the cooling of supernova, following the paper [ref163] we have another constraint from the detection of axions in water Cherenkov detectors. In this parameter region, the axion flux from the axion burst is quite sizable for its detection, even though it does not affect the cooling of SN1987A. If the axion-nucleon-nucleon coupling is strong enough, axions may excite the oxygen nuclei in the water Cherenkov detectors (${}^{16}\text{O}+a\to{{}^{16}\text{O}}^{*}$), followed by radiative decays of the excited state. If this process had happened, the Kamiokande detector should have observed the photons emitted from the decay of ${}^{16}\text{O}^{*}$. Due to the non-observation of this signal, $f_{a}\leqslant 3\cdot 10^{5}~{}GeV$ is excluded [ref112]. Alternatively stated, the hadronic axion with the axion decay constant in the following range is still viable with all the astrophysical constraints181818Somewhat more conservative estimates performed by Turner [ref162] and Ressel [ref157] give the following limitations for the hadronic axion: $2~{}eV\leqslant m_{a}\leqslant 5~{}eV$ and $3~{}eV\leqslant m_{a}\leqslant 8~{}eV$ respectively. However, we are going to use the limitation (74) since the uncertainty of above-mentioned estimates is determined by the factor of $\geqslant 3$ [ref162]. [ref163] $3\leqslant m_{a}\leqslant 20~{}[eV]$ (74) The mentioned consequences of the ”axion trapping” effect may be illustrated as follows (Fig. 19). Given that the value of the axion coupling to a photon in terms of the axion mechanism of Sun luminosity is $g_{a\gamma}\sim 7.07\cdot 10^{-11}~{}GeV^{-1}$, it is easy to write an equation for a straight line $c_{a\gamma\gamma}=\frac{2\pi f_{a}}{\alpha}g_{a\gamma}=0.06\cdot\frac{f_{a}}{10^{6}~{}GeV},$ (75) which marks a sort of a ”border” (Fig. 19) between the allowed and forbidden values of the $c_{a\gamma\gamma}$ constant and the energy scale $f_{a}$ associated with the break-down of the U(1) PQ symmetry. Figure 19: Astrophysical constraints on the axion mass $m_{a}$ from the cooling of the supernova, axion burst, cooling of the HB stars, the extragalactic background light [ref158] (squares), and the emission line in clusters of galaxies [ref157] (triangles). Shaded region is excluded. A purple star marks our result ($c_{a\gamma\gamma}\cong 0.02$, $f_{a}=0.353\cdot 10^{6}~{}GeV$). The graph is inspired by [ref163]. Now everything is ready for discussion of the axionic contribution to the EBL. The axion with a mass $m_{a}=17~{}eV$ has been termed ”invisible” because it interacts very, very weakly. Its lifetime far exceeds the age of the Universe $\tau_{a\rightarrow\gamma\gamma}^{*}=\frac{64\pi}{g_{a\gamma}^{2}m_{a}^{3}}\cong 1439\cdot t_{Univ},$ (76) where the age of the Universe $t_{Univ}\approx 4.34\cdot 10^{17}~{}s$ [ref164, ref156]. Notice that the lifetime of the axion is longer than the age of the Universe for $m_{a}=17~{}eV$ and $c_{a\gamma\gamma}\cong 0.02$ and hence primordial axions are still in the Universe. However, as we will see later, radiative decay of the axion may affect the background UV photons in spite of the long lifetime. The number ($N_{a}$) of axions in a cluster (the mass $M$) is [ref165] $N_{a}\sim 10^{66}\frac{M}{M_{Sun}}\left(\frac{eV}{m_{a}}\right).$ (77) It seems to have gone unnoticed that this number may be so large that the cluster luminosity $L_{a}=\frac{m_{a}N_{a}}{\tau_{a}^{*}}$ (78) is easily measured [ref165]. In this connection we explore this possibility of observable photon luminosity caused by the cluster’s axions decay. Let us remind that from now on we shall consider the diffuse extragalactic background (EBL) rather than the galaxy luminosity. According to the stated above, we shall start with examining the effect of dark matter in the form the light axions on the extragalactic background light. In dong so we follow the theoretical results by Overduin and Wesson [ref166], who assumed that the axions are clustered in Galactic halos with nonzero velocity dispersions and derived an expression for the intensity of the axionic contribution which describes the axion halos as a luminous element of a pressureless perfect fluid in the standard Friedman-Robertson-Walker universe. To go further and compare our predictions with observational data, we would like to calculate the intensity of axionic contributions to the EBL as a function of the wavelength $\lambda_{0}$ after the manner of [ref166]: $I_{\lambda}(\lambda_{0})=\frac{\Omega_{a}\rho_{crit,0}}{\sqrt{32\pi^{3}}hH_{0}\tau_{a}}\left(\frac{\lambda_{0}}{\sigma_{\lambda}}\right)\cdot\int\limits_{0}^{z_{f}}\frac{\exp\left\\{-\frac{1}{2}\left[\frac{\lambda_{0}/(1+z)-\lambda_{a}}{\sigma_{\lambda}}\right]^{2}\right\\}dz}{(1+z)^{3}\left[\Omega_{m,0}(1+z)^{3}+1-\Omega_{m,0}\right]^{1/2}},$ (79) where $z_{f}=30$ [ref166]; $\lambda_{a}=24800\text{\AA}\left(\frac{eV}{m_{a}}\right)$ (80) is a peak wavelength of the decay photons; $\sigma_{\lambda}=2\frac{v_{c}}{c}\lambda_{a}\approx 220\text{\AA}\left(\frac{eV}{m_{a}}\right)$ (81) is the standard deviation of the Gaussian spectral energy distribution, for which the velocity dispersion $\upsilon_{c}$ (for axions bound in galaxy clusters) rises to as much as 1300 km/s [ref157, ref166]; $\Omega_{a}=5.2\cdot 10^{-3}h_{0}^{-2}\left(\frac{m_{a}}{eV}\right)$ (82) is the present density parameter of the thermal axions; $h$ is the Planck constant; $H_{0}=100h_{0}~{}km\cdot s^{-1}\cdot Mpc^{-1}$ is the Hubble constant, $h_{0}=0.75\pm 0.15$ [ref166] is the usual value of the Hubble constant expressed in units of $100~{}km\cdot s^{-1}\cdot Mpc^{-1}$; $\rho_{crit,0}=1.88\cdot 10^{-29}~{}g\cdot cm^{-3}$ is the present critical density; $\Omega_{m,0}=\Omega_{a}+\Omega_{bar}+\Omega_{\nu}=0.266\pm 0.029$ [ref167] is the present total density parameter of the axions ($\Omega_{a}$), baryons ($\Omega_{bar}=0.028\pm 0.012$ [ref166]) and neutrinos ($\Omega_{\nu}\leqslant 0.014$ [ref168]); the expression for the decay lifetime of the axion decay into photon pairs was used in the following form: $\tau_{a\rightarrow\gamma\gamma}^{*}=\frac{2^{8}\pi^{3}}{c_{a\gamma\gamma}^{2}\alpha_{em}^{2}}\frac{f_{a}^{2}}{m_{a}^{3}}=(1.54\cdot 10^{7}t_{Univ})\zeta^{-2}\left(\frac{m_{a}}{eV}\right)^{-5},~{}~{}\zeta=\frac{c_{a\gamma\gamma}}{0.72};$ (83) Evaluating Eq. (79) over $1500\text{\AA}\leqslant\lambda_{0}\leqslant 20,000\text{\AA}$ with $\zeta=0.03$ and $z_{f}=30$, we obtain the plots of $I_{\lambda}(\lambda_{0})$ shown in Fig. 20. Apparently, the theoretical fit of spectral intensity of the background radiation (83) produced by axion decays describes the known experimental data in the near ultraviolet and optical bands very well. They include data from several ground-based telescope observations (SS78 [ref169], D79 [ref170], BK86 [ref171]), sounding rockets (H77 [ref172], H78 [ref173]), Apollo-Soyuz mission (P77 [ref174]), the Pioneer 10 spacecraft (T83 [ref175]), the DIRBE instrument aboard the COBE satellite (H98 [ref176], WR00 [ref177], C01 [ref178]), S2/68 sky-survey telescope aboard TD-1 satellite (G80 [ref179]). Figure 20: The spectral intensity $I_{\lambda}(\lambda_{0})$ of the background radiation from decaying axions as a function of the observed wavelength $\lambda_{0}$. The curves for the value of $m_{a}=17~{}eV$, $\zeta=c_{a\gamma\gamma}/0.72=0.03$ correspond to upper, median and lower limits on $h_{0}$. Also observational upper limits (solid symbols and a heavy line) and reported detections (empty symbols) over this waveband are shown. Experimental data depicted in red were not taken into account for the theoretical fit of the spectral intensity $I_{\lambda}$ (blue line). See explanations in the text. It is important to keep in mind that some of the experimental data were not taken into account at all during the construction of the theoretical fit of the spectral intensity $I_{\lambda}$. For example, OAO-2 satellite (LW76 [ref180]), sounding rockets (J84 [ref181], T88 [ref182]), the Space Shuttle- borne Hopkins UVX experiment (M90 [ref183]), and combined Hubble Space Telescope – Las Campanas Telescope observations (B02 [ref184]), shown in red in Fig. 20. One of the reasons for not considering the data from LW76 [ref180], J84 [ref181], T88 [ref182], (M90 [ref183] is that these experiments involved measurements of certain parts of the sky only. This is a grave methodological disadvantage which, according to Gondhalekar [ref179], may lead to serious distortions of the true EBL value, because ”…the individual observation were taken over different regions of the sky and cover different wavelength ranges. It should be noted that intensity of the observed inter-stellar radiation field shows significant variation, not only with galactic latitude but also with galactic longitude and these variations should be taken into account when comparing observation taken over different regions of the sky. Strictly, an accurate determination of the total interstellar radiation density requires integration of observations made over the whole sky”. Experimental data from B02 [ref184] were dropped due to the other reason which is related to the fair criticism by Mattila [ref185], who casts doubt on the data calibration method and, consequently, on the accuracy of the obtained results. Let us now make a short comment regarding the quantity $\zeta$. For this purpose we write the effective Lagrangian density which describes the coupling $g_{a\gamma}$ of axions to photons: $L_{a\gamma\gamma}=\frac{g_{a\gamma}}{4}F_{\mu\nu}\tilde{F}^{\mu\nu}a=-g_{a\gamma}\vec{E}\cdot\vec{B}a.$ (84) where $a$ is the axionic field, $F$ is the electromagnetic field-strength tensor, $\tilde{F}$ is its dual, and $\vec{E}$ and $\vec{B}$ are the electric and magnetic fields, respectively. The axion-photon coupling constant is $g_{a\gamma}=\frac{\alpha}{2\pi f_{a}}c_{a\gamma\gamma}=\frac{\alpha}{2\pi f_{a}}\left[\frac{E_{PQ}}{N}-\frac{2(4+z)}{3(1+z)}\right],$ (85) where $E_{PQ}$ and $N$, respectively, are the electromagnetic and color anomaly of the axial current associated with the axion field. Here $z=m_{u}/m_{d}$ is the $u$\- and $d$-quarks masses ratio. Since the theoretical fit (Fig. 20) of the spectral intensity $I_{\lambda}$ of the background radiation from decaying axions was performed for the value $\zeta=0.03$, the constant $c_{a\gamma\gamma}$, according to (83), will be $c_{a\gamma\gamma}=0.72\zeta=\left[\frac{E_{PQ}}{N}-\frac{2(4+z)}{3(1+z)}\right]\simeq 0.02.$ (86) This value is extremely important, because according to [ref186], it is a strong indicator of (a) the effects of axion emission on the evolution of helium burning low-mass stars [ref187], (b) the effect of decaying relic axions on the diffuse extragalactic background radiation [ref157, ref158]. That is the effects (a) and (b) provide limit to the axion-photon coupling [ref186]. It can be shown, that a combined action of effects (a) and (b) with $z=m_{u}/m_{d}=0.56$ and $f_{a}\cong 10^{6}~{}GeV$ leads to the following important limitation: $c_{a\gamma\gamma}\leqslant\frac{f_{a}}{10^{7}~{}GeV}=0.02.$ (87) The exact match of Eqs. (86) and (87) reflects a remarkable fact that the properties of the axion studied ($m_{a}=17~{}eV$, $f_{a}=0.353\cdot 10^{6}~{}GeV$) conform to conditions (a) and (b) completely. Moreover, they satisfy the conditions (see [ref186] and Fig. 19) of the axion’s effect on the neutrino burst from SN 1987A (the so-called ”trapping regime” in which the axion emission would not have a significant effect on the neutrino burst [ref159, ref159a, ref160, ref161, ref162]) and the effect of axions emitted from SN1987A on the Kamiokande II detector, coming from a condition of absence of a large signal at the Kamiokande detector [ref112]). Noteworthy, the axion under question ($m_{a}=17~{}eV$, $c_{a\gamma\gamma}\cong 0.02$) may be put into the thermally-produced hadronic axions class (see Fig. 17 and Fig. 18), and it may also be considered as a real candidate for dark matter at the same time. Here is why. It is usually assumed that dark matter in standard cosmology models is produced during the radiation-dominated era. If the axion mass $m_{a}\geqslant 10^{-2}~{}eV$, axions were produced thermally, with cosmological abundance $\Omega_{a}h_{0}^{2}=\frac{m_{a}}{130~{}eV}\left(\frac{10}{g_{*S,F}}\right),$ (88) where $g_{*S,F}$ is the effective number of relativistic degrees of freedom when axions freeze out of equilibrium. Turner showed [ref159, ref159a] that the vast majority of these would have arisen in the early Universe via thermal mechanisms such as Primakoff scattering and photo-production. The Boltzmann equation can be solved to give their present comoving number density as $n_{a}=(830/g_{*S,F})~{}cm^{-3}$ [ref157], where $g_{*S,F}\approx 15$ counts the number of relativistic degrees of freedom left in the plasma at the time when axions ”froze out” of equilibrium. The present density parameter $\Omega_{a}=n_{a}m_{a}/\rho_{crit,0}$ of thermal axions thus leads to the expression (82) whence it follows $0.11\leqslant\Omega_{a}\leqslant 0.25.$ (89) Here we have taken $0.6\leqslant h_{0}\leqslant 0.9$ as usual. This is comparable to the density of dark matter. At the same time, there are axion constraints in the so-called nonstandard thermal histories. As it was shown in [ref188], the most intriguing one among the well-known non-standard thermal histories (low-temperature reheating and kination cosmologies) is the LTR cosmology which allows for the fact that there is currently no direct evidence for radiation domination prior to big- bang nucleosynthesis [ref189]. According to this scenario, radiation domination begins as late as 1 MeV, and is preceded by significant entropy generation. Thermal axion relic abundances are then suppressed, and cosmological limits to axions are loosened. However, for reheating temperatures $T_{rh}\leqslant 35~{}MeV$, the large-scale structure limit to the axion mass is lifted (see Fig. 21). The remaining constraint from the total density of matter is significantly relaxed in this case. Constraints are also relaxed for higher reheating temperatures. It turns out that axions will be produced thermally, with nonstandard cosmological abundance $\Omega_{a}^{nth}h_{0}^{2}=\frac{m_{a}}{130~{}eV}\left(\frac{10}{g_{*S,F}}\right)\cdot\gamma(T_{rh}/T_{F}),$ (90) where $T_{F}$ is the decoupling temperature of axions. Figure 21: (a) Upper limits to the hadronic axion mass from cosmology, allowing the possibility of a low-temperature-reheating scenario. The green region shows the region excluded by the constraint $\Omega_{a}h^{2}<0.135$ as a function of the reheating temperature $T_{rh}$. The red region shows the additional part of axion parameter space excluded by WMAP1/SDSS data. At low reheating temperatures, upper limits to the axion mass are loosened. For $T_{rh}\geqslant 170~{}MeV$, the usual constraints are recovered. Adapted from [ref188]. (b) Estimated improvement in the accessible axion parameter space from including more precise measurements of the matter power spectrum (the region bounded by the yellow line), corresponding to LSST [ref190, ref191], or from measurements of clustering on smaller length scales, corresponding to Lyman-$\alpha$ forest measurements (the region bounded by the blue line) [ref192]. The red region indicates the parameter space excluded by WMAP1/SDSS measurements. Adapted from [ref188]. Our result (a red star) has the coordinates $\left\\{T_{rh}=30~{}MeV;m_{a}=17~{}eV\right\\}$. Using the abundance $\Omega_{a}^{nth}$ normalized by its standard value $\Omega_{a}$ as a function of the reheating temperature, obtained by Grin et al. (Fig. 4 in [ref188]) it is easy to derive for the mass $m_{a}=17~{}eV$ at $T_{rh}=30-35~{}MeV$ (see Fig. 21) $\frac{\Omega_{a}^{nth}}{\Omega_{a}}=\gamma(T_{rh}/T_{F})\cong 0.2~{}~{}for~{}~{}T_{rh}=30~{}~{}MeV.$ (91) Hence, $0.022\leqslant\Omega_{a}^{nth}\leqslant 0.05.$ (92) which is rather small and comparable to the baryonic density value $0.027\leqslant\Omega_{b}\leqslant 0.040$ [ref156] as opposed to the standard case of (89). Which one of them is preferable when it comes to description of real physics – the standard expression (89) for the axion dark matter density or the non- standard one (92)? Although there is no answer to this question nowadays, one may still hope that, according to [ref188], future limits to axions in the standard radiation-dominated and LTR thermal histories may follow from constraints to their contribution to the energy density of relativistic particles at $T\sim$1 MeV. This is due to the fact that a comparison between the abundance of 4He and the predicted abundance from standard big-bang nucleosynthesis (SBBN) places constraints to the radiative content of the Universe at $T\sim$1 MeV [ref193]. As the paper [ref188] notes, this can be stated as a constraint to the effective neutrino number ($N_{\nu}^{eff}$), because at early times, axions contribute to the total relativistic energy density (through $N_{\nu}^{eff}$), and thus constraints to 4He abundances can be turned into constraints on $m_{a}$ and $T_{rh}$. It is known that in terms of the baryon-number density $n_{b}$, the primordial 4He abundance is characterized by the expression $Y_{P}=4n_{He}/n_{b}$. In order to translate measurements of primordial 4He abundance $Y_{P}$ to constraints on $m_{a}$ and $T_{rh}$ we use the scaling relation by Grin et al. [ref188] $\Delta N_{\nu}^{eff}(m_{a},T_{rh})=N_{\nu}^{eff}-3=\frac{43}{7}\left\\{(6.25\cdot\Delta Y_{p}+1)-1\right\\},$ (93) which describes the relation between the deviation $\Delta N_{\nu}^{eff}$ for the given values of $m_{a}$ and $T_{rh}$ and the deviation $\Delta Y_{P}$ of the primordial 4He abundance. Here the deviation $\Delta Y_{P}$ is thought of as a deviation from the value $Y_{P}=0.2487\pm 0.0006$ accepted for SBBN- predicted primordial abundances [ref194]. According to the calculations in [ref188], for the values $m_{a}=17~{}eV$, $T_{rh}=30~{}MeV$ and the effective neutrino number $N_{\nu}^{eff}\cong 3.44$ (Fig. 7 in [ref188]), the deviation $\Delta N_{\nu}^{eff}$ is 0.44. Substitution of this value into Eq. (93) gives the following value for the $\Delta Y_{P}$ of the primordial 4He abundance: $\Delta Y_{p}=0.0044,$ (94) Let us present some data for the sake of comparison. One careful study gives the value $Y_{P}=0.2565\pm 0.0010~{}(stat)\pm 0.0050~{}(syst)$ from 93 H${}_{\text{II}}$ regions [ref195], leading to the sensitivity limit $N_{\nu}^{eff}\cong 3.61$. Interestingly enough, the deviation $\Delta N_{\nu}^{eff}=0.61$ may be a sign of the higher mass axions existence, since according to [ref186], for sufficiently high masses, the axionic contribution saturates to $\Delta N_{\nu}^{eff}=4/7$ at high reheating temperatures. At the same time the Planck satellite is expected to reach $\Delta Y_{P}=0.013$ [ref196], yielding sensitivity of $N_{\nu}^{eff}\cong 4.04$, while CMBPol (a proposed future CMB polarization experiment) is expected to approach $\Delta Y_{P}=0.0039$, leading to the sensitivity limit $N_{\nu}^{eff}\cong 3.30$ [ref188]. It makes it clear that the answer to a question about the preference of one expression (standard (89) or non-standard (92)) for the axion dark matter density over another may be searched for only in direction of a sharp increase in observations precision. According to [ref197], measuring CMB temperature and polarization with cosmic variance accuracy would allow to constrain $Y_{P}$ to within 1.5%, or $\Delta Y_{P}\sim 0.0036$ (assuming flatness). Such an ideal measurement would be able to discriminate between the BBN-guided, deuterium based helium value and the current lowest direct helium observations. In other words, ”…if the CMB-determined helium mass fraction turns out to be as high as suggested by SBBN calculations combined with the observed deuterium abundance, this could indicate a systematic error in the present direct astrophysical helium observations. Alternatively, if the CMB could independently determine the helium value with sufficient precision to confirm the present low helium value coming from direct observations, then this would be a smoking gun for new physics” [ref197]. For example, one could imagine sterile neutrinos appearing within the nonstandard BBN scenarios, which would agree with present observations of $\eta_{10}=10^{10}(n_{b}/n_{\gamma})$, while having a low helium mass fraction. To put it differently, in our opinion, in spite of the future possible constraints to axions and low-temperature reheating from the helium abundance and next-generation large-scale-structure surveys, it is the appearance of the sterile neutrinos that may effectively solve the problem of missing dark matter in the framework of LTR cosmology. And finally, returning to our 17 eV axion ”caught” in the extragalactic background, we may say that regardless of the scenario which provides a significant portion of the dark matter, experimentally observed invisible axions (Fig. 20) must have rest masses in the ”semi-visible” range (1500Å \- 20000Å) where they do contribute significantly to the light of the night sky. In this sense one may think of our findings as a result of the axion mechanism of Sun luminosity and the ”…nature’s most versatile dark-matter detector: the light of the night sky” [ref166]. ## 6 Relic axion-like archion and cosmic infrared background It is well known that a direct measurement of the EBL and, particularly, the cosmic infrared background (CIB) consists in observing the cumulative emission from various pregalactic objects, protogalaxies, galaxies, cosmic explosions and decaying elementary particles (including dark matter particles) throughout the evolution of the Universe and therefore one can provide important constraints on the integrated cosmological history of star formation [ref198, ref199] and control the second most important contribution to the cosmic electromagnetic background after the Cosmic Microwave Background generated at the time of recombination at a redshift around 1000 [ref199]. This background is expected to be composed of three main components [ref199]: * • the stellar radiation in galaxies concentrated in the ultraviolet and visible with a redshifted component in the near InfraRed (IR); * • a fraction of the stellar radiation absorbed by dust either in the galaxies or in the intergalactic medium; * • the radiation from active galactic nuclei (a fraction of which is also absorbed by dust and reradiated in the far-IR). Its detection is a subject of great scientific interest and the main purpose of the Diffuse Infrared Background Experiment (DIRBE) on the Cosmic Background Explorer (COBE) space-craft [ref176, ref177, ref178]. These studies resulted in upper limits on the EBL in the 1.25-100 $\mu m$ region, and in the detection of a positive isotropic signal at 140 and 240 $\mu m$. However, there are serious problems with interpretation of some DIRBE data at far-IR wavelengths. For example [ref198], the energy sources could either be yet undetected dust-enshrouded galaxies, or extremely dusty star-forming regions in observed galaxies, and they may be responsible for the observed iron enrichment in the intracluster medium. Although there is currently no compelling need to invoke non-nuclear energy sources to explain the COBE data, their potential contribution to the observed EBL cannot be ruled out. It leads to a conclusion that the exact star formation history or scenarios required to produce the EBL at far-IR wavelengths cannot be unambiguously resolved by the COBE observations and must await future observations [ref198]. The other type of problems is revealed by the interpretation of the DIRBE data at near-IR wavelengths. For example, in their studies of EBL at near-IR wavelengths Cambrésy et al. [ref178] obtain a significantly higher cosmic background than integrated galaxy counts ($3.6\pm 0.8~{}kJy\cdot sr^{-1}$ and $5.3\pm 1.2~{}kJy\cdot sr^{-1}$ for 1.25 $\mu m$ and 2.2 $\mu m$, respectively), suggesting either an increase of the galaxy luminosity function for magnitudes fainter than 30 or the existence of another contribution to the cosmic background from primeval stars, black holes, or relic particle decay. However, models predict other possible contributions to the background at these wavelengths [ref200] such as a burst of star formation either in primeval galaxies or in Population III stars ($z\approx 10$), very massive black holes (accreting from a uniform pre-galactic medium at $z\approx 40$), massive decaying big bang relic particles ($z\approx 300$). In this regard, Cambresy et al. [ref178] make a natural conclusion that the new constraints in the near-infrared should encourage revisiting the importance of those contributions to the CIB in cosmological models. Figure 22: The spectral intensity $I_{\lambda}(\lambda_{0})$ of the background radiation from decaying axions as a function of the observed wavelength $\lambda_{0}$. The curves for values $m_{a}=17.0~{}eV$, $\zeta=c_{a\gamma\gamma}/0.72=0.03$ and $m_{a}=2.0~{}eV$, $\zeta=9.0$ correspond to upper, median and lower limits on $h_{0}$. Also observational upper limits (solid symbols) over these wavebands are shown. In this connection we consider the effect of dark matter in the form of 2 eV relic particle on the extragalactic background light at near-IR region (Fig. 22). It was obtained on the basis of the intensity (79) of axionic contributions to the EBL calculation as a function of the wavelength $\lambda_{0}$. The theoretical fit (green curves in Fig. 22) of the spectral intensity of the background radiation (79) produced by axion decays, apparently, describes the known experimental data for the near-infrared band very well. They include data from ground-based telescope observations (BK86 [ref171]) and the DIRBE instrument aboard the COBE satellite (H98 [ref176], WR00 [ref177], C01 [ref178]). Let us consider some properties of such relic particle with the 2 eV mass. It may be immediately stated that such particle cannot play the role of a sterile neutrino with the mass of the order of a few eV [ref201]. And the reason is the following. It is known that if neutrinos are massive and if the mass eigenstates are not degenerate, then it is possible to have a radiative decay of the form $\nu_{s}\to\nu+\gamma$. According to [ref202], this gives for the decay rate of Majorana neutrinos $\Gamma_{\nu_{S}\rightarrow\nu\gamma}^{*}=5.52\cdot 10^{-32}\left(\frac{\sin^{2}\theta}{10^{-10}}\right)\left(\frac{m_{S}}{keV}\right)^{5}~{}~{}s^{-1},$ (95) where $m_{S}$ is the mass eigenstate most closely associated with the sterile neutrino, and $\theta$ is the mixing angle between the sterile and active neutrino. The decay of a nonrelativistic sterile neutrino into two (nearly) massless particles produces a line at the energy $E{\gamma}=m_{S}/2$. Obviously, in case of the decay reaction $\nu_{s}\to\nu+\gamma$, Eq. (79) can be generalized to another relic $\nu_{s}$ by multiplying it by $I_{\lambda}(\lambda_{0})\cdot\frac{1}{2}\cdot\frac{\Omega_{\nu}}{\Omega_{a}}\cdot\frac{\tau_{a\rightarrow\gamma\gamma}^{*}}{\tau_{\nu_{S}\rightarrow\nu\gamma}^{*}},$ (96) where the 1/2 is a number of photons produced in each $\nu_{s}$ decay, $\Omega_{\nu}\leqslant 0.014$ is the present total density parameter of the neutrinos, $\tau_{\nu_{\chi}\rightarrow\nu\gamma}^{*}=(\Gamma_{\nu_{S}\rightarrow\nu\gamma}^{*})^{-1}=(1.7\cdot 10^{15}t_{Univ})\zeta^{-2}\left(\frac{m_{S}}{keV}\right)^{-5},$ (97) where $\zeta^{-2}=\left(\frac{10^{-10}}{\sin^{2}2\theta}\right).$ (98) Using the generalization (96), it is rather easy to show that a theoretical fit of spectral intensity $I_{\lambda}$ of the background radiation is several orders of magnitude lower than the experimental data in near-infrared band under any reasonable values of the mixing angle $\sin^{2}2\theta$. This relic particle with the 2 eV mass may be supposed to belong to a class of axion-like particles with rather exotic properties. One of them may originate from the fact that in the distant past their birth in the electromagnetic field, or in other words interaction with a photon, was not suppressed for some reason, while at the present time there are simply no conditions suitable for their birth. To put it differently, the mentioned conditions of such particles’ birth must be completely suppressed nowadays in order our axion mechanism of Sun luminosity to be possible. In our opinion, such axion-like particle, provided that it exists, has the properties most similar to those of the so-called archion [ref203, ref204, ref205, ref206, ref207, ref208, ref209]. An archion may be very similar to a hadronic axion with highly suppressed interaction with leptons under certain conditions. Let us discuss briefly some of its properties below. As is generally known, in all the models of an invisible axion this particle appears as a Goldstone boson connected with the phase of a complex SU(2)$\times$U(1) singlet Higgs field. The axion coupling to the gauge bosons appears in these models after the U(1)PQ symmetry violation by means of a mechanism, specified by the non-vanishing color anomaly U(1)PQ \- SU(3)c \- SU(3)c [ref210]. In its most generic form the Lagrangian of axion interaction with fermions (quarks and leptons) and photons is $L=c_{\alpha\beta}\alpha\cdot\bar{F}_{\alpha}(\sin\theta_{\alpha\beta}+i\gamma_{5}\cos\theta_{\alpha\chi})F_{\beta}+g_{a\gamma}aF_{\mu\nu}\bar{F}^{\mu\nu},$ (99) where $\alpha,\beta=1,2,3$ indices denote the generation of fermions $F$, and the constants $\theta_{\alpha\beta}$, $c_{\alpha\beta}\propto f_{a}^{-1}$ (100) and $g_{a\gamma}\propto f_{a}^{-1}$ (101) depend on the axion model chosen. A model of an archion [ref203, ref204, ref205, ref206, ref207, ref208, ref209] arose from a model of horizontal unification, the basis of which is expounded in a monograph by Khlopov [ref210]. This theory includes the global U(1)H symmetry, the spontaneous breaking of which leads to prediction of a Goldstone boson of the invisible axion type. Such boson called ”archion” by authors of [ref205, ref206, ref207, ref208] has the flavor non-diagonal as well as the flavor diagonal coupling to fermions. The global U(1)H symmetry in horizontal unification may be identified with the Peccei–Quinn symmetry U(1)PQ [ref028, ref029, ref030, ref031, ref032, ref032a, ref033, ref033a], which is due to the fact of triangle anomaly existence in axial currents U(1)H interaction with gluons [ref210]. In the simplest variant of the horizontal unification (the gauge symmetry $S(U)_{c}\otimes SU(2)\otimes U(1)\otimes SU(3)_{H}\otimes U(1)_{H}$ (102) with a minimal set of heavy fermions) the anomaly is compensated, and the archion remains almost massless. The interaction of the archion with photons is absent because of the parallel compensation which corresponds to the current-photon-photon anomaly. On the other hand, according to [ref210], within any realistic extension of the horizontal unification model up to the grand unification symmetry, for example, within the extension to the SU(5)${}_{H}\otimes$SU(3)H symmetry, there is no compensation because of the extra heavy fermions, so that the archion appears to be similar to a hadronic axion with strongly suppressed interaction with leptons. In the framework of the archion model, the archion-photon coupling constant $g_{a\gamma}$ which appears in Eqs. (99) and (101) has the following form [ref210]: $g_{a\gamma}=\frac{\alpha}{2\pi f_{a}}c_{a\gamma\gamma}=\frac{\alpha}{4\pi f_{a}}\frac{A_{c}z^{3/2}}{(1+z)^{2}}\left[\frac{A_{em}}{A_{c}}-\frac{2(4+z)}{3(1+z)}\right]^{-1}.$ (103) Here as usual $z=m_{u}/m_{d}$ is the $u$\- and $d$-quarks mass ratio, $f_{a}$ is the energy scale associated with the breakdown of the U(1)H (or equivalently, the U(1)PQ symmetry), $A_{c}$ and $A_{em}$ are the color and electromagnetic anomalies respectively. Taking into account the value of the $c_{a\gamma}=0.72\zeta$ constant (see (83) and Fig. 22), which is $\sim$6.5 for the archion mass of 2 eV, it is easy to estimate the archion-photon coupling constant from (103) and (10): $g_{a\gamma}^{*}\simeq 2.5\cdot 10^{-9}~{}~{}GeV^{-1}.$ (104) Obviously, if the archion indeed exists and has such a high archion-photon coupling constant, it must be of the relic origin only in a sense that the conditions of such particles birth must be completely suppressed nowadays. Otherwise, our axion mechanism of Sun luminosity would not be possible, like we pointed out earlier191919It is necessary to note that regardless of whether one assumes the existence of the axion mechanism of Sun luminosity or not, such high value of the archion-photon coupling constant (104) is forbidden by the DAMA experiment observations [ref146] presented in Fig. 17a and 17b.. The value of this constant is also very important because according to [ref186], it is a strong indicator of (a) the effects of axion emission on the evolution of helium burning low-mass stars [ref187], (b) the effect of decaying relic axions on the diffuse extragalactic background radiation [ref157, ref166]. In other words, an archion with the 2 eV mass, characterized by the archion- photon coupling constant (104), must be relic in order not to violate the known limitation (87) which is a consequence of combined action of effects (a) and (b). For all invisible axion models, including the archion model, Lagrangian of its interaction with nucleons has the same form [ref209]. Given (104), it is not hard to estimate the archion-nucleon coupling constant for the 2 eV mass archion (Fig. 22) using (29)-(31) and (10): $g_{an}^{*}\leqslant 5.6\cdot 10^{-8}.$ (105) If the archion exists with such low value of the archion-nucleon coupling constant, it obviously must have only relic origin in order not to violate the SN1987A limit ($3\cdot 10^{-7}\leqslant g_{an}\leqslant 10^{-6}$ [ref111, ref112]). This rises the question of why would Nature need a relic axion-like archion in addition to an ordinary hadronic axion. Curiously enough, the answer suggests itself and is related to the evolutionary formation of the visible large-scale cosmological structure against the background of the invisible ”dark” structure. Apart from the details of this scenario, our axion-like particles may be among the primary participants of this creative action, if they do exist. Let us note however that in spite of the fact that the cosmological structure formation is provided by the single kind of hidden-mass particles – axions, the ”axion liquid” turns out to be two-component. The visible structure in the form of galaxies and superclusters is formed by the shortwave component of the 17 eV axions density perturbations spectrum, while the relic thermal 2 eV archions background plays an important role in sub-shortwave density perturbations spectrum evolution. The latter includes, in particular, the massive halos formation beyond the visible parts of the galaxies. Following [ref210], it is worth mentioning that the so-called phase-space argument by Tramaine and Gunn [ref211], which gives rise to a known limit on particles mass in the halo, may be substantially weakened or even omitted for the Bose gas [ref212, ref213, ref214, ref215]. If all said above is true, it is more than sufficient for a ”sensible” existence of axions, and particularly, a relic axion-like archion. On the other hand, except for the indirect indication of axions existence in the form of Fig. 22, we have no other – direct – arguments. In order to fill this gap a little, let us try to substantiate the quantitative relations between the experimental spectral intensities of the background radiation from decaying axions and archions shown in Fig. 22 theoretically on the basis of a simplified cosmological model which takes into account the processes of axion dark matter radiative decay. ### 6.1 Decaying axion and relic archion as two components of luminous dark matter Let us consider the flat (for simplicity) Universe after the recombination consisting of the following components: relic radiation, usual (light, visible) matter, dark matter (presented by axions and archions), non-relic radiation (resulting from their decay) and dark energy (described by the cosmological constant $\Lambda$), then for the corresponding metrics $ds^{2}=c^{2}dt^{2}-a^{2}(t)(dx^{2}+dy^{2}+dz^{2}),$ (106) where $a(t)$ is the scale factor, the first Friedmann equation reads $\frac{3\dot{a}^{2}}{c^{2}a^{2}}=\kappa T_{00}+\Lambda,$ (107) where a dot denotes the derivative with respect to $t$, $\kappa=8\pi G_{N}/c^{4}$ ($G_{N}$ is the Newtonian gravitational constant) and the $00$ covariant component of the total energy-momentum tensor reads $T_{00}=\varepsilon_{rr}+\varepsilon_{\nu m}+\varepsilon_{a2}+\varepsilon_{a17}+\varepsilon_{r2}+\varepsilon_{r17},$ (108) where, in their turn, $\varepsilon_{rr,\nu m,a1,a17,r2,r17}$ denote energy densities of relic radiation (assumed to be independent of all other components), visible matter (also assumed to be independent), archions (with the mass $m_{a2}=2~{}eV$ and the disintegration constant $\lambda_{a2}=3.88\cdot 10^{-22}~{}s$, assumed to be completely nonrelativistic), axions (with the mass $m_{a17}=17~{}eV$ and the disintegration constant $\lambda_{a17}=1.91\cdot 10^{-22}s^{-1}$, also assumed to be completely nonrelativistic), radiation resulting from archion decay and radiation resulting from axion decay respectively. Here some additional comments should be made. First, the disintegration constants are estimated simply as $\lambda=1/\tau^{*}$ on basis of the formula (83). Second, we assume both dark matter components (archions and axions) completely nonrelativistic, in other words, we completely neglect their velocities (or temperatures). This assumption is simultaneously in agreement and disagreement with [ref166], where the formula (185) (which is equivalent to (79) in our text) contains simultaneously the scent of the standard cosmological $\Lambda$CDM-model without matter velocities in the denominator of the integrand and the scent of the velocity dispersion in its numerator. It seems that this fact does not mean that there is a self-contradiction in the formula (185), because the numerator may be much more sensitive to the local velocity of dark matter than the denominator to the global one. However, in the subsequent analysis we shall be interested in the evolution of the average non-relic radiation energy density without taking into account its frequency distribution and the nonzero dark matter temperature (for simplicity). Substituting (108) into (107) and introducing the standard portions $\Omega=\frac{\kappa c^{2}}{3H_{0}^{2}}\varepsilon_{(0)},~{}~{}\Omega_{\Lambda}=\frac{c^{2}}{3H_{0}^{2}}\Lambda,$ (109) where the subscript $(0)$ corresponds to the current moment of time $t=0$ (this value may be chosen without loss of generality) and $H=\dot{a}/a$ is the Hubble parameter, we obtain $\displaystyle\left(\frac{\dot{a}}{a}\right)^{2}=H_{0}^{2}$ $\displaystyle\left(\Omega_{rr}\frac{\varepsilon_{rr}}{\varepsilon_{rr(0)}}+\Omega_{\nu m}\frac{\varepsilon_{\nu m}}{\varepsilon_{\nu m(0)}}+\Omega_{a2}\frac{\varepsilon_{a2}}{\varepsilon_{a2(0)}}+\right.$ $\displaystyle\left.+\Omega_{a17}\frac{\varepsilon_{a17}}{\varepsilon_{a17(0)}}+\Omega_{r2}\frac{\varepsilon_{r2}}{\varepsilon_{r2(0)}}+\Omega_{r17}\frac{\varepsilon_{r17}}{\varepsilon_{r17(0)}}+\Omega_{\Lambda}\right).$ (110) Here $\varepsilon_{rr}\sim 1/a^{4}$, $\varepsilon_{\nu m}\sim 1/a^{3}$, consequently, as usual, $\Omega_{rr}\frac{\varepsilon_{rr}}{\varepsilon_{rr(0)}}+\Omega_{\nu m}\frac{\varepsilon_{\nu m}}{\varepsilon_{\nu m(0)}}=\Omega_{rr}\left(\frac{a_{0}}{a}\right)^{4}+\Omega_{\nu m}\left(\frac{a_{0}}{a}\right)^{3},$ (111) where $a_{0}$ is the current value of the scale factor: $a(0)=a_{0}$. Further, $\varepsilon_{a2}:\frac{1}{a^{3}}\exp(-\lambda_{a2}t),~{}~{}\varepsilon_{a17}:\frac{1}{a^{3}}\exp(-\lambda_{a17}t)\Longrightarrow\varepsilon_{a2(0)}:\frac{1}{a_{0}^{3}},~{}~{}\varepsilon_{a17(0)}:\frac{1}{a_{0}^{3}},$ (112) whence $\Omega_{a2}\frac{\varepsilon_{a2}}{\varepsilon_{a2(0)}}+\Omega_{a17}\frac{\varepsilon_{a17}}{\varepsilon_{a17(0)}}=\Omega_{a2}\left(\frac{a_{0}}{a}\right)^{3}\exp(-\lambda_{a2}t)+\Omega_{a17}\left(\frac{a_{0}}{a}\right)^{3}\exp(-\lambda_{a17}t).$ (113) Finally, combining first and second Friedmann equations, we come to the following equations: $d\left[(\varepsilon_{a2}+\varepsilon_{r2})a^{3}\right]+\frac{1}{3}\varepsilon_{r2}d(a^{3})=0,~{}~{}d\left[(\varepsilon_{a17}+\varepsilon_{r17})a^{3}\right]+\frac{1}{3}\varepsilon_{r17}d(a^{3})=0.$ (114) From the first one we immediately get $\frac{d(\varepsilon_{a2}a^{3})}{da}+a^{3}\frac{d\varepsilon_{r2}}{da}+4a^{2}\varepsilon_{r2}=0,~{}~{}\frac{d(\varepsilon_{a2}a^{3})}{da}=\varepsilon_{a2(0)}a_{0}^{3}\exp(-\lambda_{a2}t)\frac{(-\lambda_{a2})}{\dot{a}},$ (115) $\frac{d\varepsilon_{r2}}{da}+\frac{4\varepsilon_{r2}}{a}=\varepsilon_{a2(0)}\left(\frac{a_{0}}{a}\right)^{3}\exp(-\lambda_{a2}t)\frac{\lambda_{a2}}{\dot{a}},$ (116) whence finally $\displaystyle\varepsilon_{r2}$ $\displaystyle=\frac{1}{a^{4}}\left(\varepsilon_{a2(0)}a_{0}^{3}\lambda_{a2}\int\limits_{a_{0}}^{a}\exp(-\lambda_{a2}t)\frac{a}{\dot{a}}da+\varepsilon_{r2(0)}a_{0}^{4}\right)=$ $\displaystyle=\frac{1}{a^{4}}\left(\varepsilon_{a2(0)}a_{0}^{3}\lambda_{a2}\int\limits_{0}^{t}a(t)\exp(-\lambda_{a2}t)dt+\varepsilon_{r2(0)}a_{0}^{4}\right).$ (117) Similarly, $\varepsilon_{r17}=\frac{1}{a^{4}}\left(\varepsilon_{a17(0)}a_{0}^{3}\lambda_{a17}\int\limits_{0}^{t}a(t)\exp(-\lambda_{a17}t)dt+\varepsilon_{r17(0)}a_{0}^{4}\right).$ (118) The substitution of (111), (113), (117) and (118) into (110) gives the equation defining the function $a(t)$ satisfying the condition $a(t)=a_{0}$. Taking into account that the values of both disintegration constants $\lambda_{a2}$ and $\lambda_{a17}$ are extremely small and the radiation energy density decreases faster than the nonrelativistic matter energy density when $a$ increases, one can neglect all (i.e. both relic and non-relic) radiation contributions and get $\left(\frac{\dot{a}}{a}\right)^{2}=H_{0}^{2}\left[\Omega_{\nu m}\left(\frac{a_{0}}{a}\right)^{3}+\Omega_{a2}\left(\frac{a_{0}}{a}\right)^{3}\exp(-\lambda_{a2}t)+\Omega_{a17}\left(\frac{a_{0}}{a}\right)^{3}\exp(-\lambda_{a17}t)+\Omega_{\Lambda}\right].$ (119) Introducing the dimensionless quantities $\tilde{t}=H_{0}t,~{}~{}\tilde{a}=\frac{a}{a_{0}},~{}~{}\tilde{\lambda}_{a2}=\frac{\lambda_{a2}}{H_{0}},~{}~{}\tilde{\lambda}_{a17}=\frac{\lambda_{a17}}{H_{0}},$ (120) from (112) we obtain $\left(\frac{1}{\tilde{a}}\frac{d\tilde{a}}{d\tilde{t}}\right)^{2}=\frac{\Omega_{\nu m}}{\tilde{a}^{3}}+\frac{\Omega_{a2}}{\tilde{a}^{3}}\exp(-\tilde{\lambda}_{a2}\tilde{t})+\frac{\Omega_{a17}}{\tilde{a}^{3}}\exp(-\tilde{\lambda}_{a17}\tilde{t})+\Omega_{\Lambda},~{}~{}\tilde{a}(0)=1.$ (121) According to the recent observations [ref216], we consider the following values: $\Omega_{\nu m}=0.046$, $\Omega_{a2}+\Omega_{a17}=0.236$, $\Omega_{\Lambda}=1-\Omega_{\nu m}-(\Omega_{a2}+\Omega_{a17})=0.718$. For $\Omega_{a2}$ and $\Omega_{a17}$ we use the values $0.016$ and $0.220$ respectively. Again, due to extreme smallness of $\lambda_{a2}$ and $\lambda_{a17}$ (in the presence of nonzero $\Lambda$) they do not affect noticeably the dependence $a(t)$. The following graphs confirm this statement: Figure 23: The numerical solution of Eq. (121) (the blue firm line) is indistinguishable from its numerical solution for $\lambda_{a2}=0$ and $\lambda_{a17}=0$ (the yellow dashed line). From (117) and (118) we obtain respectively $\tilde{t}\tilde{a}(\tilde{t})\exp(-\tilde{\lambda}_{a2}\tilde{t})d\tilde{t}+\frac{\varepsilon_{r2(0)}}{\varepsilon_{a2(0)}},$ (122) $\tilde{t}\tilde{a}(\tilde{t})\exp(-\tilde{\lambda}_{a17}\tilde{t})d\tilde{t}+\frac{\varepsilon_{r17(0)}}{\varepsilon_{a17(0)}}.$ (123) Let us introduce the convenient functions $f_{a2}(\tilde{t})=\frac{\varepsilon_{r2}}{\varepsilon_{a2(0)}}\tilde{a}^{4}-\frac{\varepsilon_{r2(0)}}{\varepsilon_{a2(0)}}=\tilde{\lambda}_{a2}\int\limits_{0}^{\tilde{t}}\tilde{a}(\tilde{t})\exp(-\tilde{\lambda}_{a2}\tilde{t})d\tilde{t},$ (124) $f_{a17}(\tilde{t})=\frac{\varepsilon_{r17}}{\varepsilon_{a17(0)}}\tilde{a}^{4}-\frac{\varepsilon_{r17(0)}}{\varepsilon_{a17(0)}}=\tilde{\lambda}_{a17}\int\limits_{0}^{\tilde{t}}\tilde{a}(\tilde{t})\exp(-\tilde{\lambda}_{a17}\tilde{t})d\tilde{t},$ (125) For $a=0$ we get $f_{a2}=-9.26\cdot 10^{-5}$ and $f_{a17}=-4.56\cdot 10^{-5}$. These negative values may be completely compensated by the proper choice of $\varepsilon_{r2(0)}$ and $\varepsilon_{r17(0)}$ in order to give $\varepsilon_{r2}=0$ and $\varepsilon_{r17}=0$ at the same moment of time (when $a=0$). This has clear physical sense: we assume that at the recombination moment the non-relic radiation is absent (all radiation, present at that moment of time, may be considered as the relic one). From this requirement we immediately obtain $\varepsilon_{r2(0)}=9.26\cdot 10^{-5}\varepsilon_{a2(0)}$ and $\varepsilon_{r17(0)}=4.56\cdot 10^{-5}\varepsilon_{a17(0)}$. Now let us also depict the helpful graphs of the ratios $\varepsilon_{r2}/\varepsilon_{a2}$ and $\varepsilon_{r17}/\varepsilon_{a17}$ as functions of $\tilde{t}$ (Fig. 24a, red and green lines respectively): $\frac{\varepsilon_{r2}}{\varepsilon_{a2}}=\frac{\exp(\tilde{\lambda}_{a2}\tilde{t})}{\tilde{a}}\left(\tilde{\lambda}_{a2}\int\limits_{0}^{\tilde{t}}\tilde{a}(\tilde{t})\exp(-\tilde{\lambda}_{a2}\tilde{t})d\tilde{t}+\frac{\varepsilon_{r2(0)}}{\varepsilon_{a2(0)}}\right),$ (126) $\frac{\varepsilon_{r17}}{\varepsilon_{a17}}=\frac{\exp(\tilde{\lambda}_{a17}\tilde{t})}{\tilde{a}}\left(\tilde{\lambda}_{a17}\int\limits_{0}^{\tilde{t}}\tilde{a}(\tilde{t})\exp(-\tilde{\lambda}_{a17}\tilde{t})d\tilde{t}+\frac{\varepsilon_{r17(0)}}{\varepsilon_{a17(0)}}\right),$ (127) In particular, for $t=0$ we get $\varepsilon_{r2}/\varepsilon_{a2}=9.26\cdot 10^{-5}$ and $\varepsilon_{r17}/\varepsilon_{a17}=4.56\cdot 10^{-5}$, as it should be (Fig. 24a). Figure 24: Graphs of the ratios $\varepsilon_{r2}/\varepsilon_{a2}$ (red), $\varepsilon_{r17}/\varepsilon_{a17}$ (green) (a) and $\varepsilon_{r2}/\varepsilon_{r17}$ (b) as functions of time $\tilde{t}$. Let us also depict the helpful graph of the ratio $\varepsilon_{r2}/\varepsilon_{r17}$ as a function of $\tilde{t}$ (Fig. 24b). The theoretical estimate of the ratio $\varepsilon_{r2}/\varepsilon_{r17}$ is, apparently, equal to $\left(\frac{\varepsilon_{r2}}{\varepsilon_{r17}}\right)_{theory}\cong 0.15.$ (128) On the other hand, it is rather easy to estimate the experimental $\varepsilon_{r2}/\varepsilon_{r17}$ ratio using the data shown in Fig. 22 and the expression for the spectral intensity $I_{\lambda}(\lambda_{0})$ of the background radiation from decaying axions: $\left(\frac{\varepsilon_{r2}}{\varepsilon_{r17}}\right)_{exper}=\frac{\int\limits_{12400}^{50000}I_{\lambda 2}(\lambda_{0})d\lambda_{0}}{\int\limits_{1500}^{15000}I_{\lambda 17}(\lambda_{0})d\lambda_{0}}\cong 0.23.$ (129) Curiously enough, the theoretical estimate (128) and the experimental one (129) agree fairly well, which increases one’s optimism as to the essence of the results obtained in the current section. At the same time, our estimates require additional thorough verification, especially when it comes to the experimental justification of the validity and reliability of the data on the extragalactic background light in near-ultraviolet, optical and near-infrared bands (1500-10000Å). Indeed, it is a very important step to perform, because otherwise our unusual results may seem more like just the luckily guessed rules of calculation, which do not reflect the actual nature of things. ## 7 Summary and Conclusion In the present paper we present a self-consistent model of the axion mechanism of Sun luminosity and solar dynamo – geodynamo connection, in the framework of which we estimate the values of the axion mass ($m_{a}\sim 17~{}eV$) and the axion coupling constants to photons ($g_{a\gamma}\sim 7.07\cdot 10^{-11}~{}GeV^{-1}$), nucleons ($g_{an}\sim 3.20\cdot 10^{-7}$) and electrons ($g_{ae}\sim 5.28\cdot 10^{-11}$). Their verification on the basis of the model results comparison with the known experiments is also provided, including the CAST-, CUORE- and XMASS-experiments. In order to explain the solar-terrestrial magnetic connection we propose the axion mechanism explaining the Sun luminosity physics and ”solar dynamo – geodynamo” connection, where the total energy of axions, which appear in the Sun core, is initially modulated by the magnetic field of the solar tachocline zone due to the inverse coherent Primakoff effect and after that it makes its way towards the Earth where its ”iron” component containing the 14.4 keV solar axions is resonantly absorbed inside the nickel-iron core of the Earth. It results in the fact that the variations of the axion intensity play a role of an energy source and a modulator of the Earth magnetic field. In other words, the solar axion mechanism is not only responsible for formation of a thermal energy source in the liquid core of the Earth necessary for generation and maintenance of the Earth magnetic field, but unlike other alternative mechanisms [ref015], naturally explains the cause of the experimentally observed strong negative correlation of the magnetic field in the tachocline zone of the Sun and the magnetic field of the Earth. It is necessary to note that obtained estimations can’t be excluded by the existing experimental data (see Fig. 17a and Fig. 18a) because the effect of solar axion intensity modulation by temporal variations of the toroidal magnetic field of the solar tachocline zone discussed above was not taken into account in these observations (see Fig. 17b and Fig. 18b). On the other hand, the obtained estimates for the axion-photon coupling and the axion-nucleon coupling cannot be ruled out by the existing theoretical limitations known as the globular cluster star limit ($g_{a\gamma}<6\cdot 10^{-11}~{}GeV^{-1}$) and the red giant star limit ($g_{ae}<3\cdot 10^{-13}$) [ref100], since these values are highly model-dependent. It actually means that the axion parameters obtained in the present paper do not contradict any of the known experimental and theoretical model-independent limitations. Let us give some major ideas of the paper which formed a basis for the statement of the problem justification, and the corresponding experimental data which comport with these ideas either explicitly or implicitly. ### 7.1 Axion mechanism of Sun luminosity One of the key ideas behind this mechanism is the effect of $\gamma$-quanta channeling along the magnetic flux tubes (waveguides) in the Sun convective zone (Fig. 8), which may be represented by the $\gamma$-quanta channeling in the periodical structure (Fig. 6) in the particular case. A low refraction (i.e. a high transparency) of the thin magnetic flux tubes is achieved due to the ultrahigh magnetic pressure (see (16)), induced by the magnetic field of about 200-400 T (Fig. 9a, adapted from [ref077]). It is noteworthy that although such strong magnetic fields have never been used for the explanation or interpretation of the simulation results such as the stability analysis of tachocline latitudinal differential rotation and coexisting toroidal band using an MHD analog of the shallow-water model [ref077], they have always been present implicitly in the very same simulation results, as our analysis shows. Fig. 9a provides an illustrative example where a hidden part of the ”latitude – magnetic field of the overshoot tachocline zone” dependence (which is absent on the original plot in Fig.11 of [ref077]) is added. A right to exist and physical validity of this part is confirmed by the bare fact of its direct correspondence (Fig. 9a,b) with the real X-ray image of the Sun in its active phase (Fig. 9b) obtained in the experiments performed with the Japanese X-ray telescope Yohkoh (1991-2001) (adapted from [ref014]). The direct experiments on monitoring the space-time evolution of the magnetic flux tubes, rising from the deep layers of the convective zone of the Sun (Fig. 8b, adapted from [ref064]) proved the existence of the ”hollow” ideal magnetic waveguides for $\gamma$-quanta. These tubes cross the photosphere and form the solar active regions such as sunspots which are the sources of X-rays (Fig. 8d, adapted from [ref068]). There are also some theoretical results substantiating the effect of anchoring magnetic flux tubes in the tachocline (Fig. 8c, adapted from [ref067]). Finally, the most impressive evidence of the axion mechanism of Sun luminosity are the solar images (Fig. 13, adapted from [ref014]) taken at photon energies from 250 eV up to a few keV from the Japanese X-ray telescope Yohkoh (1991-2001), which depict the solar X-ray activity during the last maximum of the 11-year solar cycle (Fig. 13b). It is hard to imagine another model or considerations which would explain such anomalous X-ray radiation distribution over the active Sun surface just as well. One should also keep in mind that the alternative mechanism of axion transformation into $\gamma$-quanta in the magnetic field of sunspots or other solar active regions is completely ruled out, since there are no signs of an X-ray bright spot at the disk center (see Fig. 13a and b), which should otherwise be observed according to [ref217]. ### 7.2 Invisible axions and Solar Equator effect According to the axion mechanism of Sun luminosity, a part of axions that pass through the tachocline zone near the equator and poles (Fig. 6 and Fig. 13) is not converted into $\gamma$-quanta by the Primakoff effect because of the magnetic field vector collinearity to the axion momentum. It is the equatorial part (Fig. 13) of invisible axions that reaches the Earth, where its ”iron” component (i.e. the 14.4 keV solar axions) is resonantly absorbed in the Earth core. The energy of the solar axions supplied to the Earth core in this way plays a role of a trigger for the generation and maintenance of the geomagnetic field, thus giving birth to the effect of the steady anticorrelation between the variations of the Solar magnetic field and geomagnetic field (Fig. 3). In this sense, it is appropriate to make a short remark related to the anticorrelation between the solar and terrestrial magnetic fields variations. The small variations of TSI ($\Delta$TSI) are apparently produced by the solar magnetic field variations. At the same time, these variations of the solar magnetic field drive the equatorial sector width variations (Fig. 13), and consequently, the ”equatorial” axion flux (see Fig. 12) $\Delta_{equ}^{a}=0.05\mp\Delta TSI/\langle TSI\rangle.$ (130) In other words, the ”equator” effect is not only the source of ”invisible” axions, it also modulates their intensity inversely proportional to the solar magnetic field change (see (130)), thus maintaining the inverse correlation between the solar magnetic field and the ”invisible” axions flux (Fig. 12). The latter is also the cause of the inverse correlation between the solar and terrestrial magnetic fields variations (Fig. 3). ### 7.3 Axion mechanism of the solar dynamo – geodynamo connection This mechanism is responsible for the physical (axionic) nature of the steady anticorrelation between the variations of the solar magnetic field and the geomagnetic field (the Y-component) which is directly proportional to the westward drift of magnetic features (Fig. 4, Fig. 5) at the measurement points (Western Europe and Australia). Figuratively speaking, in this case the Y-component of the Earth magnetic field acts as a ”measuring instrument” which tracks the influence of the ”equatorial” 14.4 keV solar axions on thermal and magnetic processes in the liquid core of the Earth. The physical scenario for this may be following. The ”iron” solar axions that are resonantly absorbed in the Earth core, activate the vertical background motion along the gravity force. This motion, in its turn, ”pushes” the temperature gradient to the bottom of the liquid core more or less heavily (depending on the total energy of axions), thereby changing the temperature profile in the convective medium of the Earth core. The change in the temperature profile also changes the thermal conditions near the nuclear georeactor situated at the boundary of the liquid and solid core of the Earth. Since the power output of such reactor is proportional to temperature in the range of 3000-5000C∘ typical for the Earth liquid core, it means that the variations of the Earth core temperature generated by the mechanism of solar dynamo-geodynamo connection induce the corresponding variations of the nuclear georeactor thermal power. If the georeactor hypothesis is true, the fluctuations of georeactor thermal power, induced by the variations of the absorbed axions energy in the Earth’s core, can influence the Earth global climate in the form of anomalous temperature jumps in the following way. Strong fluctuations of the georeactor thermal power can lead to partial blocking of the convection in the liquid core [ref113, ref114, ref115] and the change of the angular velocity of liquid geosphere rotation, thereby changing the angular velocities of the Earth mantle and crust by virtue of the total angular momentum conservation law. It means that the heat, or more precisely the dissipation energy caused by friction of the Earth surface and lower atmosphere, can make a considerable contribution to the total energy balance of the atmosphere and thereby influence on the Earth global climate evolution significantly [ref113, ref114, ref115]. On the other hand, it is clear that understanding of the mechanism of the solar-terrestrial magnetic correlation can become the clue of the so-called problem of solar power pacemaker related to possible existence of some hidden but crucial mechanism of the Sun’s energy influence on the fundamental geophysical processes. It is interesting that the ”tracks” of this mechanism have been observed for a long time and manifest themselves in different problems of solar-terrestrial physics, in particular, in climatology where the mechanisms, by which small changes in the Sun’s energy output during the solar cycle can cause change in the weather and climate, have been a puzzle and the subject of intense research in recent decades. If we also add the fact that the dissipation energy caused by friction of the Earth surface and the boundary layer has a considerable value, which is enough to cover the known deficiency of the total energy balance of the atmosphere, it becomes clear that in the framework of the axion mechanism of the solar dynamo – geodynamo connection it is the solar magnetic field that is a host power pacemaker of the Earth global climate [ref113]. ### 7.4 Axion-like particle and extragalactic background light A complete physical ”portrait” of the axion, obtained from the axion mechanism of Sun luminosity and the solar dynamo – geodynamo connection, actually predefined the necessary conditions of its detection in astrophysics. For example, for the search of the axion with the mass $m_{a}=17~{}eV$ in radiative decays of the $a\to\gamma\gamma$ type, when the decay photons are emitted at or near a peak wavelength $\lambda_{a}=\frac{2hc}{m_{a}c^{2}}\cong 1459\text{\AA},$ (131) we used the known observational data obtained during the study of the diffuse extragalactic background which, according to [ref116], are more suitable than the flux from any particular region of the sky. Surprisingly, our theoretical fit of the spectral intensity of the background radiation (Fig. 20) produced by axion decays describes the experimental data in the near ultraviolet and optical bands including the data from several ground- and satellite-based telescope observations [ref169, ref170, ref171, ref172, ref173, ref174, ref175, ref176, ref177, ref178, ref179] with very good accuracy. In this sense we may say that our result, obtained within the self-consistent model of Sun luminosity and solar dynamo – geodynamo connection, has a strong and evident ”experimental” support represented by the astrophysical solar-like axions, provided that this is not just a fortuitous coincidence of the data (Fig. 20), and the axions with the mass $m_{a}=17~{}eV$ really exist. ### 7.5 Plausible dark matter candidate: hadronic axion or axion-like arhion? Along with the identification of the solar-like axion with the 17 eV mass, we also found the possible relic axion-like archion with the 2 eV mass in near- infrared band of the extragalactic background (Fig. 22), which behaves similarly to the hardronic axion with highly suppressed interaction with leptons under certain conditions. Discovering both the hadronic axion and the axion-like archion (with similar properties, but different physical nature) made us think about what we actually see and identify. Aren’t these two particles just axion-like archions in reality? All that we know about the World, tells us that Mother Nature, although is notable for its Darwinian diversity in the elementary particles zoo, would not ”multiply entities beyond necessity”. Keeping in mind this principle of Ockham’s razor and our intuitive notion about the laws of astroparticle physics, let us give some arguments in favour of the statement that we are really dealing with the axion-like archions and not with hadronic axions. The main reason of our doubts is the following. It is known [ref209] that the model of an archion automatically avoids the serious problems related to the necessity of a stable relic supermassive quark existence, predicted by the hadronic axion model. As a result, the so-called ”wild isotopes” should exist as a consequence of a corresponding nucleosynthesis process, and they are not observed today, as is known. On the other hand, including the hadronic axion model into the Grand Unified model should lead to an inevitable existence of a supermassive lepton associated with the axion. This is due to the fact that within such unification, a composite of a supermassive quark with an ordinary light quark would cause a supermassive quark instability as well as the axion interaction with leptons, which is incompatible with the hadronic axion properties [ref210]. In other words, the axion just would not be hadronic in this case. Everything is completely different within the archion model. In contrast to the hadronic axion model, the archion model (i.e. the Berezhiani-Saharov- Khlopov (BSK) model of horizontal unification [ref209]) naturally gives rise to a supermassive quark instability and a strong suppression of the axion-like archion interaction with leptons [ref203, ref204, ref205, ref206, ref207, ref208, ref209, ref210]. At the same time, because of the suppression of the archion interaction with the lightest generation of leptons ($u$,$d$,$e$,$\nu_{e}$), the existing limitations on the corresponding scale (the energy scale $f_{PQ}$ associated with the break-down of the U(1) PQ- symmetry) of the invisible axion are reduced to $f_{a}\equiv f_{PQ}\sim 10^{6}~{}~{}GeV,$ (132) which makes the BSK-model of an archion rather close to the hadronic axion model [ref032, ref032a, ref033, ref033a, ref102, ref103]. It is interesting that for such values of the energy $f_{a}$ in the BSK-model of horizontal unification the stable massive neutrinos dominance becomes possible, or more strictly speaking, the stable sterile neutrinos with the mass about several keV and small mixing angles with the active neutrinos. If we also take into account that one or more of these gauge-singlet fermions can have Majorana masses below the electroweak scale, in which case they appear as sterile neutrinos in the low-energy theory [ref218], it becomes clear that these particles have fundamental importance extending the Standard Model by gauge singlet fermions, which can accommodate the neutrino masses. Furthermore, if one of the sterile neutrinos has mass in the 1–20 keV range and has small mixing angles with the active neutrinos, such particle is a plausible candidate for dark matter [ref219]. The same particle could be produced in the supernova explosion, and its emission from a cooling neutron star could explain the pulsar kicks, facilitate core collapse supernova explosions, and affect the formation of the first stars and black holes (e.g., [ref218] and Refs. therein). Therefore, there is a strong motivation to search for signatures of sterile neutrinos in this mass range, especially as the first results were obtained recently indicating the detection of the sterile neutrino mass of 5.0$\pm$0.2 keV and a mixing angle in a narrow range for which neutrino oscillations can produce all of the dark matter [ref220]. We tried to find a trace of the radiative decay of the sterile neutrino in the form $\nu_{s}\to\nu+\gamma$ as well. As we noted before, one should not be embarrassed by the fact that the corresponding life-time of the sterile neutrino is many orders of magnitude larger than the age of the universe (see (95) and (97)), because sterile neutrinos are produced in the early universe by neutrino oscillations [ref219] and, possibly, by other mechanisms as well, and therefore every dark matter halo should contain some fraction of these particles. In other words, given a large number of particles in these astrophysical systems, even a small decay width can make them observable via the photons produced in the radiative decay. Figure 25: (a) The cosmic XRB spectrum and the predicted contribution from the active galactic nuclei (AGNs), that gives origin to the X-ray background. Gray points: HEAO-1 A2 HED data (Gruber et al. [ref221]). Dark green points: HEAO-1 A4 LED (Gruber et al. [ref221]). Cyan points: Rossi-XTE (Revnivtsev et al. [ref222]). Red bowtie: HEAO-1 A4 MED (Kinzer et al. [ref223]). Blue bowtie: ROSAT PSPC data (Georgantopoulos et al. [ref224]). Light green bowtie: BeppoSAX (Vecchi et al. [ref225]). Purple and yellow bowties: Newton-XMM (Lumb et al. [ref226]; De Luca & Molendi [ref227]). Solid line: synthesis model spectrum by Haardt-Madau [ref228], produced by a mixture of absorbed (the short-dashed black line) and unabsorbed (the long-dashed black line) AGNs. Adopted from [ref228]. (b) The cosmic XRB spectrum as a function of the wavelength $\lambda_{0}$. Solid purple line: synthesis model spectrum by Haardt-Madau [ref228], produced by a mixture of absorbed and unabsorbed AGNs. Black points with bars (crosses): HEAO A-2 results (Wu et al. [ref229]). Solid green line: our fit of cosmic XRB spectrum. The orange region is a sum of our fit of spectrum (the green line) and the spectrum of $\gamma$-quanta (the blue shaded region) born in the supposed radiative decay of the sterile neutrinos. We limited our search for possible $\gamma$-spectra of the sterile neutrino decay to the analysis of the experimental results obtained by different authors during their study of the diffuse X-ray background (Fig. 25a). The cosmic XRB spectrum in the 0.1 – 1 keV range was particularly interesting in this sense, because the X-ray spectrum here is not ”distorted” by the absorption processes, since unabsorbed AGNs dominate in this energy region (see predictions by the Haardt-Madau model on Fig. 25a). Allowing for the fact that in this energy region the problem of Lyman-$\alpha$ forest may be neglected, it becomes possible to use Eq. (79) for theoretical calculation of the intensity of sterile neutrino contributions to the diffuse X-ray background as a function of the wavelength $\lambda_{0}$. It is necessary to mention some specifics of cosmic XRB spectrum calculation for this region202020The observations performed using the X-ray spectroscopy of locations in the Universe are not used here, because we calculate the spectrum of $\gamma$-quanta born in radiative decays $\nu_{S}\to\nu+\gamma$ for different $z$ (integral method (86) [ref166]) in contrast to the X-ray spectroscopy of emission lines from the cooling stars (so-called differential method (e.g. [ref157]). First, the XRB spectrum is highly ”damaged” (see Fig. 25a) by multiplicity of observations with different measuring bases, and possibly, different methodologies. For this reason we decided to use the observational data obtained in the single HEAO experiment. It covers the whole spectrum in 1 – 400 keV range, and also provides the measurements of the cosmic XRB spectrum in 0.1 – 1 keV region [ref229]. Second, when calculating the $\gamma$-spectrum formed by the radiative decay of sterile neutrinos, we used Eqs. (79)-(81) adjusted for expressions (95)-(97), which reflect the radiative features of sterile neutrinos, and assumed their velocity distribution (see (81)) to be Gaussian with a variance of $\upsilon_{c}\sim 30~{}km/s$ [ref230, ref230a] and their density to be equal [ref231, ref232] $\Omega_{S}h_{0}^{2}\approx 0.3\left(\frac{\sin^{2}2\theta}{10^{-10}}\right)\left(\frac{m_{S}}{100~{}keV}\right)^{2}.$ (133) We also introduced a factor of 3 for the cosmic XRB spectrum calculation (79), which manually takes into account that the bulk of the EBL contributions in the decaying-neutrino scenario comes from neutrinos which are distributed on larger scales. We will refer to these collectively as free-streaming neutrinos, though some of them may actually be associated with more massive systems such as clusters of galaxies, and a possible impact of the astrophysical data non-gaussianity. In support of this assumption let us quote a remark made in paper [ref236], where a factor of 10 was used: ”…the fact that a significant part of the dark matter at redshifts $z\leqslant 10$ is concentrated in galaxies and clusters of galaxies just means that the strongest signal from the dark matter decay should come from the sum of the signals from the compact sources at $z\leqslant 10$. Taking into account that the DM decay signal from $z\leqslant 10$ is some two orders of magnitude stronger than that from $z\geqslant 10$, while the subtraction of resolved sources reduces the residual X-ray background maximum by a factor of 10, we argue that it would be wrong to subtract the contribution from the resolved sources from the XRB observations when looking for the DM decay signal”. Our theoretical fit (the yellow curve in Fig. 25b) of spectral intensity of the background radiation (79) produced by sterile neutrino decays describes the experimental data from HEAO A-2 in near X-ray band [ref221] adequately. However, this result requires a serious and thorough verification, since the data by Wu et al. [ref229] are, in fact, the only cosmic XRB spectrum measurements of the Large Magellanic Clouds in the 0.16 – 3.5 keV region. From this point of view, this result is more likely to serve as a demonstration of the possibilities and peculiarities of the sterile neutrino search in the diffuse extragalactic212121Wu’s analysis [ref229] of the background data reveals a limit on the mean absolute intensity for the extragalactic emission $I_{\lambda}(0.16-3.5~{}keV)\sim 5.6\cdot 10^{-8}~{}ergs\cdot cm^{-2}s^{-1}sr^{-1}$. X-ray background which sometimes may be more suitable than the flux (in the form of a narrow band) from any particular region of the sky. Turning back to the archion properties, let us point out that such sterile neutrino ($m_{S}=2.75~{}keV$, $\sin^{2}2\theta=5.1\cdot 10^{-8}$) representing the dark matter with density $\Omega_{S}\approx 0.20$ (see (133) and Fig. 26) fits into the archion model very well. This is due to the fact that it is the sterile neutrino appearance that makes it possible to solve the problem of missing dark matter (see (92)) which is associated with the archions model (in a case of $m_{S}>m_{a}$) and emerges in LTR cosmology: Figure 26: Full parameter space constraints for the sterile neutrino production model based on the diffuse extragalactic X-ray background, assuming sterile neutrinos constitute the dark matter. To facilitate comparisons, we adopt many of the conventions used by Abazajian [ref233]. Favored regions are in red/magenta colors, disfavored and excluded regions are in blue/turquoise colors. The favored parameters consistent with pulsar kick generation are in horizontal hatching (Kusenko et al. [ref234, ref235]). Constraints from X-ray observations include the diffuse X-ray background (turquoise) (Boyarsky et al. [ref236]). Also shown is the best current constraint from Chandra, from observations of contributions of dark matter X-ray decay in the cosmic X-ray background through the CDFN and CDFS (brown contour, ”Unresolved CXB Milky Way”). Also shown is an estimate of the sensitivity of a 1 Ms observation of M31 with IXO (yellow). The region at $m_{S}<1.7~{}keV$ is disfavored by conservative application of constraints from the Lyman-$\alpha$ forest. Inset: Supernova bound on sterile neutrino masses $m_{S}$ and mixing angles $\sin^{2}(2\theta)$, where the purple region is excluded by the energy-loss argument while the green one by the energy-transfer argument [ref231]. The excluded region will be extended to the dashed (red) line if the build-up of degeneracy parameter is ignored, i.e., $\eta(t)=0$. The dot-dashed (green) line represents the sterile neutrinos as dark matter with the correct relic abundance $\Omega_{S}h_{0}^{2}=0.1$. The red star ($m_{S}=2.75~{}keV$, $\sin^{2}2\theta=5.1\cdot 10^{-8}$) marks our result of sterile neutrino parameters identification. $\Omega_{DM}=\Omega_{S}+\Omega_{a}^{nth}\sim 0.25,$ (134) where $\Omega_{a}^{nth}\approx 0.04$ is a non-standard density of the axion dark matter (92). Briefly summarizing all said above about the problem of hadronic axion and axion-like archion, in our opinion, the archion model is preferable as compared to the hadronic axion model, but as the saying is, time will tell. And finally let us emphasize two the most painful points of the present paper, at least from its authors’ point of view. Regardless of the model type, the simultaneous existence of two axion-like particles (the hadronic axion with the mass 17 eV and the axion-like arhion with the mass 2 eV) rises a natural question whether there may be two different energy scales $f_{a}$ associated with the breakdown of the U(1) PQ- symmetry, one of them coming from the hadronic axion ($f_{a}=3.5\cdot 10^{5}~{}GeV^{-1}$), and another relic one – from the axion-like archion ($f_{a}=3.0\cdot 10^{6}~{}GeV^{-1}$). Or otherwise stated, can the energy have two scales, or in general, be hierarchical? If it can, then what kind of consequences of such fundamental symmetry violations hierarchy may be observed today? However, if one just winks at the possible existence of the axion-like particle with the 2 eV mass, the problem just vanishes without any consequences for the results of the present paper. The second painful point is related to the key problem of the axion mechanism of Sun luminosity and is stated rather simply: ”Is the process of axion conversion into $\gamma$-quanta by the Primakoff effect really possible in the Solar tachocline magnetic field?” This question is directly connected to the problem of the hollow magnetic flux tubes existence in the convective zone of the Sun, which are supposed to connect the tachocline with the photosphere. So, both the theory and experiment have to answer the question of whether there are the waveguides in the form of the hollow magnetic flux tubes in the convective zone of the Sun, which are perfectly transparent for $\gamma$-quanta, or our model of the axion mechanism of Sun luminosity and solar dynamo – geodynamo connection is built around simply guessed rules of calculation which do not reflect any real nature of things. ## References ## Appendix A Appendix I. Effect of $\gamma$-quanta channeling in periodic structures It is known [ref-a1.01] that the real part of dielectric susceptibility $\chi(\omega)$ for the photons with energies exceeding the $K$-electrons binding energy has the form $Re\chi(\omega)=-\omega_{e}^{2}/\omega^{2},$ (A.1) where $\omega_{e}=(4\pi Ne^{2}/m_{e})^{1/2}$ is the electron plasma frequency, $N$ is the electrons density, $m_{e}$ is the electron mass. Since $\omega_{e}\sim 10~{}eV$ for the majority of materials, the susceptibility is small and negative in the X-ray band. It means that X-ray photons may experience the total reflection on the border of two materials from the one with the larger value of $|Re~{}\chi(\omega)|$, and the angle of photons arrival to the border should not exceed $\theta_{c}=|Re~{}\chi|^{1/2}$, where $\Delta(Re~{}\chi)$ is a dielectric susceptibility step. It is appropriate to mention that the phenomenon of a small-angle X-ray reflection has been used in X-ray optic elements for a long time [ref-a1.02], and also for transporting (e.g. [ref-a1.03]) and turning (e.g. [ref-a1.04]) the X-ray bundles by cylindrical tubes. On the other hand, it is also known that according to the optical-mechanical analogy (Hamilton and Fermat principles identity), in certain cases the radiation propagation may be described in terms of ray trajectories obeying the principle of least action. The refractive index, defining a ray trajectory, plays a role of an external potential in this case. Based on this analogy, one may conjecture that there exists an effect of high-energy chargeless particles channeling that leads to the substantial anisotropy after passing the periodic structures. This assumption is validated using the example Vinecky and Finegold model problem [ref-a1.51, ref-a1.52] related to calculation of the ray trajectories and absorption coefficients for the hard photons in geometrical optics approximation. ### A.1 Statement of a problem Let us follow [ref-a1.51, ref-a1.52] and consider $\gamma$-radiation with frequency $\omega=2\pi c/\lambda$ transmission through a medium under the following condition: $\lambda_{e}<\lambda\ll a_{0},$ (A.2) where $\lambda_{e}=\hbar/mc$ is the electron Compton wavelength, $a_{0}$ is a typical interatomic distance in the medium. The left-hand side of the inequality (A.2) lets one consider the quanta as propagating in the continuous medium with a refraction index $n$. As long as the right-hand side of (A.2) holds, the incident wave frequency is substantially higher than the lattice vibration eigenfrequencies (at least for the higher electron shells of the atoms that form the lattice). Therefore the scattering electrons may be considered free, and a crystal in the large may be treated as a frozen spatially-inhomogeneous electron plasma (the impact of nuclei on the scattering is negligible). The electron plasma dielectric constant222222For a justification of the term ”dielectric constant” applicability for the X-ray and $\gamma$-bands in the absence of the Lorentz field averaging over the physically small volume elements see [ref-a1.05]. may be written down in the form $\varepsilon=\varepsilon_{1}+i\varepsilon_{2}=1-\frac{\omega_{e}^{2}(\vec{r})}{\omega^{2}+i\omega\omega_{\gamma}},$ (A.3) where $\omega_{\gamma}$ is the damping parameter which defines the wave absorption in the system. For the refraction index $n=\sqrt{\varepsilon}=n_{1}+in_{2}$ from (A.3) taking into account that $\omega\gg\omega_{e}\gg\omega_{\gamma}$ in the $\gamma$-band, we derive $n_{1}\approx 1-\frac{1}{2}\left(\frac{\omega_{e}}{\omega}\right)^{2},~{}~{}n_{2}\approx\frac{1}{2}\frac{\omega_{e}^{2}\omega_{\gamma}}{\omega^{3}}.$ (A.4) In order to perform the quantitative calculations, let us consider a simplified model of the one-dimensional lattice (a stack of alternating layers with different, but constant, densities and uniform $N(\vec{r})$ distribution along the layer (Fig. A.1)). Figure A.1: Ray trajectory dependence on the angle $\alpha$ in a long-period structure: the channeling happens when $\alpha<\alpha_{m}$; when $\alpha>\alpha_{m}$, the ray crosses the surfaces. Let us choose the distribution in the $y$ direction (perpendicular to the layers) in the form: $N(y)=N_{0}\left(1+\beta^{2}\sin^{2}\pi\frac{y}{a}\right).$ (A.5) Corresponding expressions for $n_{1}$, $n_{2}$ are $n_{1}=1-\frac{1}{2}\xi^{2}\left(1+\beta^{2}\sin^{2}\frac{1}{2}k_{a}y,~{}~{}n_{2}=\frac{1}{2}\zeta\xi^{2}\left(1+\beta^{2}\sin^{2}\frac{1}{2}k_{a}y\right)\right),$ (A.6) where $\xi^{2}\equiv\frac{\omega_{0}^{2}}{\omega^{2}}=\frac{4\pi N_{0}e^{2}}{m\omega^{2}}\ll 1,~{}~{}\zeta\equiv\frac{\omega_{\gamma}}{\omega}\ll\xi,~{}~{}k_{a}\equiv\frac{2\pi}{a}.$ (A.7) So the problem reduces to determining the intensity of the $\gamma$-quanta beam hitting a sample of the thickness $x$ with the angle $\alpha$ to the $O_{x}$ axis (Fig. A.1). We shall use the equation for the intensity of a ray that passed a path $l$ in the absorbing medium: $J_{1}=J_{0}\exp\left\\{-2k\int n_{2}(l)dl\right\\},~{}~{}k=\frac{2\pi n_{1}}{\lambda}\approx\frac{2\pi}{\lambda},$ (A.8) The integral in (A.8) is taken along the ray trajectory, while the trajectory is determined by means of the Fermat principle [ref-a1.06] $\delta\int n_{1}dl=0,$ variation of which yields a system of three nonlinear second-order differential equations describing the ray equation in a parametric form $x=x(l)$, $y=y(l)$, $z=z(l)$: $n_{1}\frac{d^{2}x_{i}}{dl^{2}}+\left(\frac{\partial n_{1}}{\partial x_{j}}\frac{dx_{j}}{dl}\right)\frac{dx_{i}}{dl}=\frac{\partial n_{1}}{\partial x_{i}},~{}~{}i,j=1,2,3$ (A.9) ($x_{1}$, $x_{2}$, $x_{3}$ correspond to $x$, $y$, $z$). It follows from the identical relation $dx_{j}dx_{j}=dl^{2}$ that only two equations of (A.9) are independent. ### A.2 Solution of the model problem For the model (A.5) the ray trajectory lies in one plane $xy$, and the system (A.9) reduces to the equation $n_{1}\frac{d^{2}y}{dl^{2}}+\frac{\partial n_{1}}{\partial y}\left(\frac{dy}{dl}\right)^{2}=\frac{\partial n_{1}}{\partial y}.$ (A.10) Let us point out some features of the channeling process that directly follow from Eq. (A.10). Assuming $dy/dl=0$ everywhere along the ray, we derive the particular solution (A.10) which describes the propagation in the planes parallel to the planes of constant density. According to (A.10), such motion is only possible when $dn_{1}/dy=0$, i.e. within the planes $A_{j}$ and $B_{j}$, corresponding to the minimum and maximum values of $n_{1}(y)$. Otherwise, the straight motion of a ray along the planes $n_{1}(y)=const$ is impossible. Particularly, if the ray is initially parallel to the planes, but lies neither in $A_{j}$, nor in $B_{j}$, it is bent towards the nearest $B_{j}$, since $n_{1}$ grows in this direction. Therefore, the motion within the plane $B_{j}$ is stable, while within $A_{j}$ it is not. In other words, the rays entering the layers along the $O_{x}$ axis are pushed out into the ”channels” of the low electron density (regions with minimum $N(y)$). The first integral of Eq. (A.10) is as follows: $\frac{dy}{dl}=\left[1-\left(\frac{n_{1}(y_{0})}{n_{1}(y)}\cos\alpha\right)^{2}\right]^{1/2},~{}~{}\frac{dy}{dx}=\left[\left(\frac{n_{1}(y)}{n_{1}(y_{0})\cos\alpha}\right)^{2}-1\right]^{1/2}.$ (A.11) Let us use (A.11) for determining the area of the ray motion depending on initial values of $\alpha$ and $y_{0}$. By taking $dy/dx=0$ in the ray’s turning point $y=y_{m}$ in (A.11), we write down $n_{1}^{2}(y_{m})=n_{1}^{2}(y_{0})\cos^{2}\alpha.$ (A.12) By substituting (A.6) we derive $\sin^{2}\left(\frac{1}{2}k_{a}y_{m}\right)=\frac{1-\xi^{2}}{(\beta\xi)^{2}}\sin^{2}\alpha+\cos^{2}\alpha\cdot\sin^{2}\left(\frac{1}{2}k_{a}y_{0}\right).$ (A.13) Eq. (A.13), obviously, has a real root $y_{m}$ only in the case $\frac{1-\xi^{2}}{(\beta\xi)^{2}}\sin^{2}\alpha+\cos^{2}\alpha\cdot\sin^{2}\left(\frac{1}{2}k_{a}y_{0}\right)\leqslant 1,$ (A.14) whence taking into account (A.7) we obtain $\alpha\leqslant\alpha_{m}(y_{0}),~{}~{}\alpha_{m}(y_{0})=\arctan\left[\beta\xi\cos\left(\frac{1}{2}k_{a}y_{0}\right)\right]\ll 1.$ (A.15) The $dy/dx$ function zeros have the form $y_{m}=\pm k_{a}^{-1}\arccos\left(\cos k_{a}y_{0}-2(\beta\xi)^{-2}\sin^{2}\alpha\right).$ (A.16) For each $y_{0}$ a ray with the angle of arrival $\alpha<\alpha_{m}(y_{0})$ ”oscillates” between the end points $[y_{m},-y_{m}]$ when passing through a sample, i.e. it ”channels” between two neighbouring planes $A_{j}$ and $A_{j+1}$. Hence, $\alpha_{m}(y_{0})$ is the maximum angle of channeling for the given $y_{0}$. According to (A.15), the angle $\alpha_{m}=0$ corresponds to $y_{0}-y_{m}=(1/2)a$, which means that the values of $y_{0}$ that make the channeling possible lie in the region $\left(-\frac{1}{2}a,\frac{1}{2}a\right),$ thus embracing the whole sample facet exposed to the beam. If $\alpha>\alpha_{m}(y_{0})$, the $dy/dx$ function has no zeros – a ray that entered under the angle $\alpha>\alpha_{m}(y_{0})$ does not channel – instead it crosses the layers one by one and is heavily absorbed by them. Fig. A.1 shows the trajectories of both the ”captured” ray that propagates between two planes throughout the sample and the non-channeling one. From this analysis the following picture of the channeling emerges. When a beam hits the sample in the $\alpha=0$ direction, virtually all the rays pass through the sample without any substantial absorption – including the ones that propagate within the strongly absorbing layers as they are pushed out back into the channels. Under small $\alpha\neq 0$ the thin bands of $\delta y_{0}$ values appear on both sides of the low density planes, where the incident rays quit channeling by switching to the crossing trajectories. Since each crossing is accompanied by a loss of some amount of energy, we obtain two sets of rays – experiencing the weak and strong absorption respectively. With $\alpha$ growth (and, consequently, the $\delta y_{0}$ bands growth) first set of rays shrinks, while the second set grows. When $\alpha=\alpha_{m}(y_{0}=0)$, the channeling region collapses and all the rays are strongly absorbed. Therefore the value $\alpha_{M}\equiv\alpha_{m}(y_{0}=0)=\arctan\beta\xi\approx\beta\xi-\beta\frac{\omega_{e}}{\omega}$ (A.17) characterizes the maximum possible channeling angle, thus determining the divergence of a beam for a given sample. As seen from (A.17), the value of $\alpha_{M}$ decreases with the beam rigidity growth! Let us estimate the value of $\alpha_{M}$ for the plasma medium in the Solar tachocline zone. Let $\beta\sim 1$ for simplicity. Taking into account that the plasma frequency in the tachocline is equal to $\omega_{e}\sim 4.6\cdot 10^{16}~{}s^{-2}$ [see (8) in the main part], and the frequency of $\gamma$-quanta with the energy $\langle E\rangle=4.2~{}keV$ (or $\lambda\sim 4.6\cdot 10^{-9}~{}cm$) is $\omega=w\pi c/\lambda=2\pi\langle E\rangle/\hbar\sim 4\cdot 10^{19}~{}s^{-1}$, from (A.17) we obtain $\alpha_{m}\sim 10^{-3}$. For the sake of channeling effect illustration, Fig. A.1 shows the model results of the photon ($\lambda\sim 10^{-9}~{}cm$) beam propagation through the layered media with $\alpha_{M}\sim 10^{-4}$ (see Section A.4). Let us now integrate the Eqs. (A.11). For the case of (A.4) these equations are reducible to the following form (up to the first vanishing terms of the order $\xi^{2}$ under the radical sign): $\frac{dy}{dl}=p\sin\alpha\sqrt{1-q^{2}\sin^{2}\left(\frac{1}{2}k_{a}y\right)},~{}~{}\frac{dy}{dx}=p\tan\alpha\sqrt{1-q^{2}\sin^{2}\left(\frac{1}{2}k_{a}y\right)},$ (A.18) where $p\equiv\sqrt{1+(\beta\xi)^{2}\cot^{2}\alpha\sin^{2}\left(\frac{1}{2}k_{a}y_{0}\right)},~{}~{}q\equiv\frac{\beta\xi\cot\alpha}{p}=\left(\sin^{2}\frac{\pi y_{0}}{a}+\frac{\tan^{2}\alpha}{(\beta\xi)^{2}}\right)^{-1/2}.$ (A.19) By integrating (A.18) we obtain the following trajectory equation: $x=x_{j}+\frac{2}{k_{a}\beta\xi}\begin{cases}F\left(\arcsin q\sin\left(\frac{1}{2}k_{a}y\right),q^{-1}\right)&at~{}~{}q\geqslant 1,\\\ qF\left(\frac{1}{2}k_{a}y,q\right)&at~{}~{}q<1\end{cases}$ (A.20) Here $F(\varphi,q)$ is an elliptic integral of the first kind, and the inverse function amF (the Jacobian elliptic function) period is equal to $4K(q)$, where $K(q)\equiv F(\pi/2,q)$ [ref-a1.07]. Correspondingly, the function $y(x)$ inverse to (A.20a) is periodical with the period $x_{\tau}=\frac{8}{k_{a}\beta\xi}K(q^{-1})$ (A.21) and is associated with the channeling trajectories. For the crossing trajectories (A.29b) which are translation-invariant under the simultaneous transformations $x\rightarrow x+jx_{\tau},~{}~{}y\rightarrow y+ja,~{}~{}j=0,1,2,...,$ (A.22) we have $x_{\tau}=\frac{8q}{k_{a}\beta\xi}K(q).$ (A.23) The regions of channeling and crossing trajectories are delimited by the value of the angle $\alpha=\alpha_{m}(y_{0})$ corresponding to the value $q=1$. When $\alpha=\alpha_{m}(y_{0})$, the rays asymptotically approach the ”repelling” planes $A_{j}$ and $x_{\tau}\to\infty$. A number of trajectory oscillations along the distance $x$ for the channeling and crossing rays is, respectively $N_{\tau}=\frac{x}{x_{\tau}}=\frac{1}{8}k_{a}\beta\xi\begin{cases}K^{-1}(q^{-1})&at~{}~{}q>1,\\\ q^{-1}K^{-1}(q)&at~{}~{}q<1.\end{cases}$ (A.24) ### A.3 Determination of the absorption coefficient angular dependence Let us move on to the absorption coefficient calculation in the exponent (A.8). By means of (A.18), integration over trajectory reduces to integration over a variable $u=k_{a}y/2$ within the region $\begin{cases}0\leqslant u\leqslant u_{m}&at~{}~{}q>1,\\\ 0\leqslant u\leqslant\pi/2&at~{}~{}q<1.\end{cases}$ Let us remind that $u=k_{a}y_{m}/2=\arcsin(q^{-1})$ by virtue of (A.15) and (A.19) corresponds to the turning points $y_{m}$ of the channeling trajectories. Further, substituting (A.8) into the expression for $n_{2}$ (A.6), performing integration and multiplying the obtained integrals, which correspond to the above mentioned regions, by $N_{\tau}$ (A.24), we obtain $\sigma=k\zeta\xi^{2}\frac{x}{\cos\alpha}\begin{cases}1+\beta^{2}\left(1-\frac{E(q^{-1})}{K(q^{-1})}\right)&at~{}~{}q>1,\\\ 1+\beta^{2}\left(1-\frac{E(q)}{K(q)}\right)&at~{}~{}q<1,\\\ \end{cases}$ (A.25) where $E(q)$ is the complete elliptic integral of the second kind [ref-a1.08]. According to (A.25), the intensity $J(x)$ (see (A.8)) of a ray that passed through a sample of the thickness $x$ may be written down as $J(x)=J_{0}\exp(-\sigma x)=J_{0}\exp\left(-\frac{\chi_{0}}{\cos\alpha}x\right)\cdot Q(\alpha,y_{0},x),$ (A.26) where $Q(\alpha,y_{0},x)=\begin{cases}\exp\left[-\frac{\chi_{0}}{\cos\alpha}\beta^{2}x\left(1-\frac{E(q^{-1})}{K(q^{-1})}\right)\right]&at~{}~{}q>1,\\\ \exp\left[-\frac{\chi_{0}}{q^{2}\cos\alpha}\beta^{2}x\left(1-\frac{E(q)}{K(q)}\right)\right]&at~{}~{}q<1.\end{cases}$ (A.27) Here the multiplier $J_{0}\exp(-\chi_{0}x/\cos\alpha)$ corresponds to $\gamma$-rays propagation through a homogeneous medium with the electron density $N_{e}$ and the absorption coefficient $\chi_{0}=k\zeta\xi^{2}$. An additional multiplier $Q(\alpha,y_{0},x)$ characterizes the influence of the medium layering. Fig. A.2 shows the $Q(\alpha,y_{0},x)$ curves for $\frac{y_{0}}{a}=0,~{}1/8,~{}1/4,~{}3/8,~{}1/2$ (A.28) with $\lambda=10^{-9}~{}cm$, $\beta=1$ and $\chi_{0}x=2$, obtained by a numerical calculation using the elliptic integral value tables [ref-a1.08]. Figure A.2: Transmitted beam relative intensity dependence on the arrival angle $\alpha$ for different values of $y_{0}$ (blue curves; the symmetric parts of the curves for $\alpha<0$ are not shown). Red curve represents $Q(\alpha,y_{0},x)$ averaged over all values of $y_{0}$. As seen in the figure, the ”total transmission” $(Q=1)$ is observed when $\alpha=0$, $y_{0}=0$ (the propagation in the $B_{j}$ plane), and the maximum absorption depending on $\beta$ and $(Q\to\exp(-\chi_{0}\beta x\cos\alpha))$ is observed when $\alpha=0$, $y_{0}=(1/2)a$ (the propagation in the $A_{j}$ plane). The dips on the decaying parts of the transmission curves when $y_{0}\neq(1/2)a$ correspond to the critical values of the angle $\alpha=\alpha_{m}(y_{0})$ (A.15), for which the $\gamma$-quanta beam, that entered a sample, asymptotically approaches the nearest $A_{j}$ plane and is absorbed in it. With somewhat bigger values of $\alpha$ the rays pass on to the neighboring inter-plane space and moving within it leave a sample before they enter the next $A_{j+1}$ plane. The additional narrow maxima on blue curves (Fig. A.2) correspond to this type of rays. Finally, when $\alpha>\alpha_{M}$ and, particularly, when $\alpha\to\pi/2$ (propagation across the layers) from (A.18) we obtain $q\to 0$, which corresponds to $Q\to\exp(-\chi_{0}\beta^{2}x/2\cos\alpha)$, i.e. there is an additional absorption due to the averaged additional density of the layers $N_{1}=N_{0}\beta^{2}$. Fig. A.2 shows a curve $Q(\alpha,y_{0},x)$ averaged over all values of $y_{0}$. The side dips and maxima are smoothed out, and there is only a central maximum. It corresponds to a clearly defined primary $\gamma$-quanta propagation with their angle of arrival within $\alpha_{M}\sim 2\cdot 10^{-4}$. Therefore, the dense layers ”modulating” a material play a role of an anisotropic filter which passes the $\gamma$-radiation for a narrow range of angles $\alpha<\alpha_{M}$ only. The physical mechanism of the arising transparency anisotropy consists in $\gamma$-quanta channeling between the layers because of the radiation ”refraction” in a heterogeneous electron plasma. ### A.4 Channeling effect onset conditions By definition, channeling occurs for the particles the motion of which in the transversal phase plane is limited to a region $\Delta y\Delta p\sim a\alpha\hbar k,$ (A.29) where $\alpha$ is a channeling angle. According to the uncertainty principle, the size of this region cannot be less than $\hbar$, i.e. $ak_{0}\geqslant\alpha^{-1}.$ (A.30) By letting $\alpha\sim\omega_{e}/\omega$ for the estimation, from (A.30) we derive $ak_{0}\geqslant 1,~{}~{}k_{0}\equiv\omega_{0}/c.$ (A.31) For example, in a monocrystal with $a=a_{0}\sim 3\cdot 10^{-8}~{}cm$, $\omega_{0}\sim 5\cdot 10^{16}~{}s^{-1}$ we have $a_{0}k_{0}\sim 5\cdot 10^{-2}\ll 1$, i.e. the condition (A.31) does not hold and, consequently, the channeling is impossible. This prohibition is true for any quanta, since in the region $\omega\gg\omega_{0}$, where the approximation (A.4) and (A.5) is applicable, the frequency $\omega$ falls out from the condition (A.31). However, for a layered system with $a\gg a_{0}$ the condition (A.31) may prove to be true, and the channeling may be possible. A more strict condition $ak_{0}\gg 1$ makes the classical description of this effect possible. This is the case for a long-period structure with $a/a_{0}\gg 10^{2}$ considered above. It is appropriate to emphasize that we consider here the structures based on the amorphous matrices which are not monocrystals. Otherwise the long-period structure would have been overlapped by the short-period oscillations with the amplitude equal or greater than $\beta N_{0}$, which would have lead to a noticeable tunnel effect. The question about channeling possibilities in this case requires a special research. Thus, the papers [ref-a1.51, ref-a1.52] show that the phenomenon of X-ray and $\gamma$-radiation channeling exists in layered structures under conditions when it is possible to use geometric optics. The essence of this phenomenon lies in the fact that the rays are reflected form the layers with the higher electron density if they propagate under the small enough angle ($\alpha<\alpha_{M}$) to the layers plane. The initially uniform intensity distribution in the transversal plane becomes non-uniform, since the rays concentrate in the ”channels” – the layers with the lower electron density. It leads to the substantial absorption decrease and deeper radiation penetration into the sample along the layers than in the case of an arbitrary arrival angle. ### A.5 On the account of an absorption impact on X-ray intensity when channeling through the solar layered structures As it was shown above, the process of $\gamma$-rays channeling through a homogeneous medium with the electron density $N_{e}$ and the absorption coefficient $\chi_{0}=k\zeta\xi^{2}$ may be described by the multiplier $J_{0}\exp(-\chi_{0}x/\cos\alpha)$ in (A.26). Calculation of this multiplier for an arbitrary point in the solar convective zone, obviously, requires the estimation of the average Rosseland free path or so-called Rosseland opacity (the photon absorption coefficient averaged according to Rosseland) in these points. On the other hand, it is necessary to know the radial profiles of the temperature and density in the solar convective zone in order to calculate the Rosseland free path or Rosseland opacity. The transmission of photons with the intensity $J_{0}$ normally incident on a uniform plasma (A.26) is given by $T(\nu)=J(\nu)/J_{0}(\nu)=\exp(-\chi_{0}x)=\exp\left[-k(\nu)\rho x\right],$ (A.32) where $h\nu$ is the photon energy and $J(\nu)$ is the attenuated photon intensity emerging from the plasma, $k(\nu)$ is the opacity per unit mass typically measured in units of $cm^{2}/g$, $\rho$ is the density, and $x$ is the optical path length. For plasmas such as the Sun that are much larger than the photon mean free path, radiation transport is usually described by the diffusion approximation [ref-a1.09, ref-a1.10, ref-a1.11] using the Rosseland mean opacity $k_{R}$, $\frac{1}{k_{R}}=\int d\nu\frac{1}{k(\nu)}\frac{dB}{dT}\Bigg{/}\int d\nu\frac{dB}{dT},$ (A.33) where $B$ is the Planck function, $T$ is the plasma temperature, and the weighting function $dB/dT$ peaks at roughly 3.8 kT. Near the convective zone (CZ) boundary $T\sim 190~{}eV$ and $dB/dT$ peaks at $h\nu\sim 750~{}eV$ (Fig. A.3). The frequency dependent opacity near the CZ boundary calculated using the opacity project model [ref-a1.12, ref-a1.12a, ref-a1.13] is displayed in Fig. A.3. Comparison with the weighting function for the Rosseland mean shows that the most important photon energies are approximately $300<h\nu<1300~{}eV$. Figure A.3: Frequency dependent opacity [ref-a1.12, ref-a1.12a, ref-a1.13] for the 17 element solar composition [ref-a1.14] near the base of the solar convection zone compared to $dB/dT$. The electron temperature and density were 193 eV and $1\cdot 10^{23}~{}cm^{-3}$, respectively. Adopted from [ref-a1.15]. However, it is necessary to point out some essential peculiarities of the absorption impact on the X-ray intensity when it channels inside the solar layered structures based on, e.g. magnetic flux tubes superlattices (see Appendix B). First, as it was noted in the body text, the total energy balance of the Sun is not violated in the framework of the axion mechanism of Sun luminosity, but the radiation transport changes substantially relative to the standard model of the Sun – the part of radiation transport not related to axions is very small ($\sim 0.015\Lambda_{Sun}$). It means that the thermodynamic parameters (temperature, pressure, plasma density, electron density etc.) are considerably smaller in the axion model of the Sun as compared to the standard model. On the other hand, the Rosseland free path or Rosseland opacity calculation inside the thin magnetic flux tubes, which play the role of $\gamma$-quanta waveguides formed in the tachocline, must take into account the new values for the mentioned parameters in the framework of the axion mechanism of Sun luminosity. Second, we suppose that the decrease of the pressure in the convective zone, for example, by an order of magnitude may lead to such decrease of the pressure inside the magnetic flux tubes that it virtually does not influence the radiation transport in these tubes. In other words, the Rosseland free paths of $\gamma$-quanta in the thin magnetic flux tubes is so big that the corresponding Rosseland opacity tends to zero, and so do the absorption coefficients in (A.32). The low refractivity, or equally the high transparency of the thin magnetic flux tubes is achieved due to the high magnetic pressure (see (16) and Fig. 9) able to compensate the outer pressure of the convective zone completely (see Appendix B for details). ## References ## Appendix B Appendix II. On a possibility of the layered structures formation in the solar convective zone on the basis of the magnetic flux tubes superlattices It is natural to ask a question, whether there is a physical possibility for the above mentioned long-period structures formation in the magnetohydrodynamical plasma media typical for the solar dynamo evolution. Curiously enough, such mechanisms do exist. Let us examine some of them briefly. ### B.1 Zonal jet streams The long-period structures in magnetohydrodynamical plasma media may show as the so-called zonal jet streams, spontaneously generated in turbulent systems. In fact, zonal jets are very common in nature. Well-known examples are those in the atmospheres of giant planets and the alternating jet streams found in the Earth’s world ocean [ref-a2.01]. Zonal flow formation in nuclear fusion devices are also well studied [ref-a2.02]. As we have already pointed out above, a common feature of these zonal flows is that they are spontaneously generated in turbulent systems. Because the Earth’s outer core is believed to be in a turbulent state, it is possible that there is a zonal flow in the liquid iron of the outer core. It is interesting that a previously unknown convective regime of the outer core that has a dual structure comprising inner, sheet-like radial plumes and an outer, westward cylindrical zonal flow232323Computer simulations have been playing an important role in the development of our understanding of the geodynamo, but the direct numerical simulation of the geodynamo with a realistic parameter regime is still beyond the power of today’s supercomputers. Difficulties in simulating the geodynamo arise from the extreme conditions of the core, which are characterized by very large and very small values of the non-dimensional parameters of the system. Along them, the Ekman number, $E$, has been adopted as a barometer of the distance of simulations from real core conditions, in which $E$ is of the order of 10-15. Following the initial computer simulations of the geodynamo, the Ekman number achieved has been steadily decreasing, with recent geodynamo simulations performed with $E$ of the order of 10-6 [ref-a2.04]. In work by Miyagoshi et al. [ref-a2.03, ref-a2.04] they present a geodynamo simulation with the Ekman number of the order of 10-7 – the highest resolution yet achieved, making use of 4096 processors of the Earth Simulator. And what is ahead when the magnitude of $E$ becomes closer to its real value?!, was recently found [ref-a2.03] (Fig. 6 in the body text). Fig. 6 in the main body of the present paper shows snapshots of the same data of zonal flow formation in the Earth’s core. The sheet convection structure is visualized as isosurfaces of the axial vorticity, which are almost straight in the $z$ direction. The blue curves surrounding the $\omega_{z}$ isosurfaces are streamlines of the velocity in the outer part of the dual-convection structure. The ring-like shape of each streamline indicates that the azimuthal component is dominant. However, according to (A.26) in A, for the ideal (without absorption) photon channeling the long-period structures, in which one of the interlaced media has almost zero density, are necessary. Surprisingly, such long-period (in terms of density) structures may appear in the plasma media in general, and in the solar convective zone in particular. We mean here the so-called magnetic flux tubes, the properties of which are discussed below. ### B.2 Some properties of the magnetic flux tubes in Sun convective zone Fig. B.1 shows the results of the three-dimensional solar hexagonal magnetoconvection simulation [ref-a2.05]. In addition to a mere fact of the long-period layers formation based on the magnetic flux tubes superlattices, it is necessary to make sure that the matter density inside the tubes is much smaller than the density of the outer plasma. Figure B.1: Vertical field component for $R_{m}=400$ when the imposed field is vertical, displayed by perspective plots. Four times are shown, for the three levels $z$ = 0, 1/2, and 1. In this and subsequent plots the time unit is (cell height)/(max. vertical velocity), i.e. $\leqslant$ 1.4 turnover time. Adopted from [ref-a2.05]. At the same time, as the analysis in Appendix A shows, for the purposes of photon channeling it is not necessary to guarantee the layers periodicity. In other words, the channeling requires a large number of necessarily interlaced, although not necessarily periodic, layers of different density. The total crosscut area of such interlaced layers must also be comparable to the photon beam cross-section. In this connection below we shall examine some properties of the magnetic flux tubes in the Sun convective zone, which may serve as a basis for estimating the temperature, pressure and matter density inside the tubes depending on the similar plasma parameters outside the tube. We shall also derive the zero refractivity (or absolute transparency) condition for the effective photon channeling along the magnetic tubes. ### B.3 The self-confinement of force-free magnetic fields and energy conservation law. Magnetic field $\vec{B}$ alternating along the vertical axis $z$ induces the vortex electric field in the magnetic flux tube containing a dense plasma. The charged particles rotation in plasma with the angular velocity $\omega$ leads to a centrifugal force per unit volume $|\vec{F}|\sim\rho|\vec{\omega}|^{2}r.$ (B.1) If we consider this problem in the rotating noninertial reference frame, such noninertiality, according to the equivalence principle, is equivalent to ”introducing” a radial non-uniform gravitational field with the ”free fall acceleration” $g(r)=|\vec{\omega}|^{2}r.$ (B.2) In such case the pressure difference inside ($p_{int}$) and outside ($p_{ext}$) the rotating ”liquid” of the tube may be treated by analogy with the regular hydrostatic pressure (Fig. B.1). Figure B.2: Representation of the ”hydrostatic equilibrium” in the rotating ”liquid” of a magnetic flux tube. Let us pick a radial ”liquid column” inside the tube as it is shown in Fig.B.1. Since the ”gravity” is non-uniform in this column, it is equivalent to a uniform field with the ”free fall acceleration” $\left\langle g(r)\right\rangle=\frac{1}{2}|\vec{\omega}|^{2}R.$ (B.3) where $R$ is the tube radius which plays a role of the ”liquid column height” in our analogy. By equating the forces acting on the chosen column similar to the hydrostatic pressure (Fig. B.1), we derive: $p_{ext}=p_{int}+\frac{1}{2}\rho|\vec{\omega}|^{2}R^{2}.$ (B.4) This rises the natural question as to what physics is hidden behind the ”centrifugal” pressure. In this relation, let us consider the magnetic field energy density $w_{B}=\frac{|\vec{B}|^{2}}{2\mu_{0}},$ (B.5) where $\mu_{0}$ is the magnetic permeability of vacuum. Suppose that the total magnetic field energy of the ”growing” tube grows linearly between the tachocline and the photosphere. In this case if the average total energy of the magnetic field in the tube transforms into the kinetic energy of tube matter rotation completely, it is easy to show that $\left\langle E_{B}\right\rangle=\frac{1}{2}w_{B}V=\frac{1}{2}\frac{|\vec{B}|^{2}}{2\mu_{0}}V=\frac{I|\vec{\omega}|^{2}}{2},$ (B.6) where $I=mR^{2}/2$ is the tube’s moment of inertia about the rotation axis, $m$ and $V$ are the mass and the volume of the tube medium respectively. Then from (B.6) it follows that $\frac{\rho|\vec{\omega}|R^{2}}{2}=\frac{|\vec{B}|^{2}}{2\mu_{0}}.$ (B.7) Finally, substituting (B.7) into (B.4) we obtain the desired relation $p_{ext}=p_{int}+\frac{|\vec{B}|^{2}}{2\mu_{0}},$ (B.8) which is exactly equal to a well-known expression by Parker [ref-a2.06], describing the so-called self-confinement of force-free magnetic fields. ### B.4 Hydrostatic equilibrium and a sharp tube medium cooling effect Assume that the tube has the length $l(t)$ by the time $t$. Then its volume is equal to $S\cdot l(t)$ and the heat capacity is $c\cdot\rho(t)\cdot Sl(t),$ (B.9) where $S$ is the tube cross-section, $\rho(t)$ is the density inside the tube, $c$ is the specific heat capacity. If the tube becomes longer by $\upsilon(t)dt$ for the time $dt$, then the magnetic field energy increases by $\frac{1}{2}\frac{|\vec{B}|}{2\mu_{0}}S\upsilon(t)dt.$ (B.10) where $\upsilon(t)$ is the tube propagation speed. The matter inside the tube, obviously, has to cool by the temperature $dT$ so that the internal energy release maintained the magnetic energy growth. Therefore, the following equality must hold: $c\rho(t)l(t)\frac{dT}{dt}S=-\frac{1}{2}\frac{|\vec{B}|^{2}}{2\mu_{0}}\upsilon(t)S.$ (B.11) Taking into account the fact that the tube grows practically linearly [ref-a2.07], i.e. $\upsilon t=l$, the Parker relation (B.8) and the tube’s equation of state $p_{int}(t)=\frac{\rho}{\mu_{*}}R_{*}T(t)~{}~{}\Longleftrightarrow~{}~{}\rho=\frac{\mu_{*}}{R_{*}}\frac{p_{int}}{T(t)},$ the equality (B.11) may be rewritten (by separation of variables) as follows: $\frac{dT}{T}=-\frac{R_{*}}{2c\mu_{*}}\left[\frac{p_{ext}}{p_{int}(t)}-1\right]\frac{dt}{t},$ (B.12) where $\mu_{*}$ is the tube matter molar mass, $R_{*}$ is the universal gas constant. After integration of (B.12) we obtain $\ln\left[\frac{T(t)}{T(0)}\right]=-\frac{R_{*}}{2c\mu_{*}}\int\limits_{0}^{t}\left[\frac{p_{ext}}{p_{int}(\tau)}-1\right]\frac{d\tau}{\tau}.$ (B.13) It is easy to see that the multiplier ($1/\tau$) in (B.13) assigns the region near $\tau=0$ in the integral. The integral converges since $\lim\limits_{\tau\rightarrow 0}\left[\frac{p_{ext}}{p_{int}(\tau)}-1\right]=0.$ Expanding $p_{int}$ into Taylor series and taking into account that $p_{int}(\tau=0)=p_{ext}$, we obtain $p_{int}(\tau)=p_{ext}+\frac{dp_{int}(\tau=0)}{d\tau}=p_{ext}(1-\gamma\tau),$ (B.14) where $\gamma=-\frac{1}{p_{ext}}\frac{dp_{int}(\tau=0)}{d\tau}=\frac{1}{p_{int}(\tau=0)}\frac{dp_{int}(\tau=0)}{d\tau}.$ (B.15) From (B.14) it follows that $\frac{p_{ext}}{p_{int}(\tau)}-1=\frac{1}{1-\gamma\tau}-1\approx\gamma\tau,$ (B.16) therefore, substituting (B.16) into (B.13), we find its solution in the form $T(t)=T(0)\exp\left(-\frac{R_{*}}{2c\mu_{*}}\gamma t\right).$ (B.17) It is extremely important to note here that the solution (B.17) points at the remarkable fact that at least at the initial stages of the tube formation its temperature decreases exponentially, i.e. very sharply. The same conclusion can be made for the pressure and the matter density in the tube. Let us show it. Assuming that the relation (B.15) holds not only for $\tau=0$, but also for small $\tau$ close to zero, we obtain $p_{int}(t)=p_{int}(0)\exp(-\gamma t),$ (B.18) i.e. the inner pressure also decreases exponentially, but with the different exponential factor. Further, assuming that the heat capacity of a molecule in the tube is $c=\frac{i}{2}\frac{R_{*}}{\mu_{*}}$ (B.19) where $i$ is a number of molecule’s degrees of freedom, and substituting the expressions (B.17) and (B.18) into the tube’s equation of state, we derive the expression for the matter density in the tube $\rho(t)=\frac{\mu_{*}}{R_{*}}\frac{p_{int}(0)}{T(0)}\exp\left[-\left(1-\frac{1}{i}\right)\gamma t\right],$ (B.20) Taking into account that $i\geqslant 3$, we can see that the density decreases exponentially just like the temperature (B.17) and pressure (B.18). ### B.5 Ideal photon channeling (without absorption) conditions inside the magnetic flux tubes Let us calculate the inner pressure $p_{int}$ of the magnetic flux tube in the solar tachocline. In the framework of the standard model of the Sun the pressure in the tachocline zone is about $\sim 6\cdot 10^{12}~{}Pa$, while the magnetic field strength reaches $400~{}T$, according to our estimates (Fig. 9 in the body text). Then from the hydrostatic condition by Parker (B.8) it follows that the inner pressure of the magnetic flux tube in the solar tachocline is equal to $p_{int}\sim 6\cdot 10^{12}-4\cdot 10^{10}\simeq 6\cdot 10^{12}~{}~{}[Pa],$ (B.21) which is comparable to the external pressure. However, the situation changes drastically within the framework of the ”axion” model of the Sun. We pointed out earlier (A) that the values of thermodynamic parameters (temperature, pressure and plasma density) in the ”axion” model are substantially smaller than the corresponding parameters in the standard model of the Sun. Let us suppose that the pressure in the tachocline zone in the ”axion” model falls by an order of magnitude and is about $\sim 10^{11}~{}Pa$. In such case it is easy to see that the magnetic field as strong as $\sim 500~{}T$ compensates the outer pressure almost completely, and the inner pressure $p_{int}\sim 10^{11}-O(10^{11})\rightarrow 0~{}~{}[Pa]$ (B.22) becomes ultralow. The result (B.22) means that the temperature and the matter density decrease together with the inner pressure, and the decrease is sharply exponential, because the exponential factor in (B.16) becomes very large $\gamma\tau=\frac{p_{ext}}{p_{int}(\tau)}-1\rightarrow\infty.$ (B.23) Because of the fact that the density, pressure and temperature in the tube are ultralow, they virtually do not influence the radiation transport in these tubes at all. In other words, the Rosseland free paths for $\gamma$-quanta inside the tubes are so big that the Rosseland opacity and the absorption coefficients in (A.32) tend to zero. The low refractivity (or high transparency) is achieved for the following limiting condition: $p_{ext}\simeq\frac{|\vec{B}|^{2}}{2\mu_{0}}.$ (B.24) The obtained results should not be considered as a proof, but rather as some trial estimates that validate the substantiation of an almost ideal (without absorption) photon channeling mechanism along the magnetic flux tubes. A major disadvantage of our reasoning is that, first of all, our estimates apply to the initial magnetic tube formation stages, and second, that it lacks the model calculations of the temperature, pressure and density in the framework of the ”axion” model of the Sun, and consequently, there is no comparison with the corresponding parameters of the standard model. On the other hand, we believe that the idea of $\gamma$-quanta channeling along the magnetic flux tubes is so physically natural and promising, that these disadvantages will be overcome in the near future in spite of the obvious serious difficulties. ## References
arxiv-papers
2013-04-15T15:17:20
2024-09-04T02:49:44.358304
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "V.D. Rusov, I.V. Sharf, V.A. Tarasov, M.V. Eingorn, V.P. Smolyar, D.S.\n Vlasenko, T.N. Zelentsova, E.P. Linnik, M.E. Beglaryan", "submitter": "Vladimir Smolyar", "url": "https://arxiv.org/abs/1304.4127" }
1304.4168
# Probing Curvature Effects in The Fermi GRB 110920 A. Shenoy11affiliationmark: , E. Sonbas22affiliationmark: 33affiliationmark: , C. Dermer,44affiliationmark: , L. C. Maximon11affiliationmark: , K. S. Dhuga11affiliationmark: , P. N. Bhat55affiliationmark: , J. Hakkila66affiliationmark: , W. C. Parke11affiliationmark: , G. A. Maclachlan11affiliationmark: , T. N. Ukwatta77affiliationmark: 1Department of Physics, The George Washington University, Washington, DC 20052, USA 2University of Adiyaman, Department of Physics, 02040 Adiyaman, Turkey 3NASA Goddard Space Flight Center, Greenbelt, MD 20771, USA 4Space Science Division, Code 7653, Naval Research Laboratory, Washington, D.C. 20375, USA 5CSPAR, University of Alabama in Huntsville, Huntsville, AL 35805, USA 6Department of Physics and Astronomy, College of Charleston, Charleston, S.C. 29424, USA 7Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824, USA [email protected] ###### Abstract Curvature effects in Gamma-ray bursts (GRBs) have long been a source of considerable interest. In a collimated relativistic GRB jet, photons that are off-axis relative to the observer arrive at later times than on-axis photons and are also expected to be spectrally softer. In this work, we invoke a relatively simple kinematic two-shell collision model for a uniform jet profile and compare its predictions to GRB prompt-emission data for observations that have been attributed to curvature effects such as the peak- flux–peak-frequency relation, i.e., the relation between the $\nu$Fν flux and the spectral peak, Epk in the decay phase of a GRB pulse, and spectral lags. In addition, we explore the behavior of pulse widths with energy. We present the case of the single-pulse Fermi GRB 110920, as a test for the predictions of the model against observations. ###### Subject headings: Gamma-ray bursts: general ## 1\. Introduction Pulses in GRB light curves are thought to be produced by collisions between relativistic shells ejected from an active central engine (Rees and Meszaros 1994). The interception of a more slowly moving shell by a second shell that is ejected at a later time, but with greater speed, produces a shock that dissipates internal energy and accelerates the particles that emit the GRB radiation. This scenario is widely adopted in order to model pulses in GRB light curves (e.g., Daigne and Mochkovitch 1998; Zhang et al. 2009). Studies of pulses are important to determine if GRB sources require engines that are long-lasting or impulsive, and to determine the likely radiation mechanism(s), with important implications for the nature of the central engine. Spectral lags, where low energy photons reach the observer at later times than high-energy photons, are seen in a significant fraction of GRBs. Cheng et al. (1995) were the first to analyze the spectral lag of GRBs, which they determined as the time delay between the peaks in the Burst and Transient Source Experiment (BATSE) Large Area Detector (LAD) channel 1 (25 - 50 keV) and channel 3 (100 - 300 keV) light curves. Since then, several authors have analyzed spectral lags in GRBs, while also extending these observations to the Swift and Fermi GRB samples (e.g., Norris et al. 1996; Norris, Marani & Bonnell 2000, Wu & Fenimore 2000; Chen et al. 2005; Ukwatta et al. 2010; Sonbas et. al. 2012) The leading model to explain the spectral lag is the curvature effect, i.e. the kinematic effect due to the observer looking at an increasingly off-axis annulus area relative to the line-of-sight (Fenimore et al. 1996; Salmonson 2000; Kumar & Panaitescu 2000; Ioka and Nakumura 2001; Qin 2002; Qin et al. 2004; Dermer 2004; Shen et al. 2005; Lu et al. 2006). Softer low-energy radiation comes from the off-axis annulus area due to smaller Doppler factors. This radiation is also delayed at the observer end with respect to on-axis observation due to the geometric curvature of the shell. The existing models as well as observations suggest that a connection exists between the observed hard-to-soft spectral evolution of GRB pulses and spectral lags. It is therefore important to understand the mechanism that produces this evolution. Tavani (1996) proposed that this hard-to-soft spectral evolution is caused by the variation of the average Lorentz factor of pre-accelerated particles and the strength of the local magnetic field at the GRB site as the synchrotron emission evolves within the burst. Liang (1997) proposed a physical model of hard-to-soft spectral evolution in which impulsively accelerated non-thermal leptons cool by saturated Compton up- scattering of soft photons. Kocevski & Liang (2003) have analyzed a sample of 19 GRBs and found a positive correlation between the decay rate of the peak energy and the spectral lag. Ukwatta et al. (2010) have analyzed a sample of 31 Swift GRBs with known red-shifts and determined the spectral lags between fixed source frame bands, 100 – 150 keV and 200 – 250 keV. They also determined that the source-frame Epk lies beyond the higher-energy band, 100 – 250 keV for a majority of these bursts. Based on this result, they suggest that spectral evolution may not be the dominant process causing the observed spectral lag. Borgonovo and Ryde (2001) studied the spectral evolution in the prompt- emission in GRBs by performing a time-resolved spectral analysis of BATSE single pulses and showed that in many cases the $\nu F\nu$ flux at the Epk for each time segment was $\propto$ E${}_{pk}^{\eta}$ (hereafter referred to as the peak-flux–peak-frequency relation), with $\eta$ ranging from $\approx 0.6$ to $3$. The exponent $\eta$ was found to stay roughly constant for pulses within the same GRB. Dermer (2004) modeled and analyzed GRB pulses based on curvature effects with a Broken-Power-Law (BPL) rest-frame spectrum and showed that in the curvature limit, $\eta$ was equal to 3 for pulses with a wide range of temporal properties. While several studies (Qin 2002; Qin et al. 2004; Shen et al. 2005; Lu et al. 2006) have been performed to determine the role played by curvature effects, both in the spectral evolution of GRB prompt-emission as well as in producing spectral lags, a number of questions remain unanswered. Specifically, we note that the dependence of the lag on the radius at which the emission takes place is quite unclear at this stage with seemingly contradictory results being reported in the literature (Shen et al. 2005; Lu et al. 2006). While that is not the focus of our current study, it is a matter of considerable interest and will be the central topic of a forthcoming work. In this work we focus on the role played by the thickness of colliding shells on observables such spectral lags, the $\nu F\nu$ flux vs. Epk relation, and the behavior of the corresponding pulse widths as a function of energy. Other studies have also attempted to determine the role played by the evolution of the rest-frame spectrum on the observables such as the spectral lags and the evolution of the pulse-widths with energy within the context of a curvature model(Qin et al.2005; Lu et al. 2006; Qin et al. 2009; Peng et al. 2011). Again, such considerations are very important but we do not specifically consider the effects of the evolution of the rest-frame spectrum in this paper. The paper is organized as follows: the basic features of the model are presented in section 2, followed by a description of the sample selection criteria, analysis methodology, and a case study in section 3. The discussion of our main results is presented in section 4, followed by a summary of our conclusions in section 5. Table 1Selected parameters for the generation of the model light curves unless otherwise stated. $\eta_{r}$ | $\eta_{t}$ | $\eta_{\Delta}$ | $t_{var}(s)$ | $\Gamma$ | z | $\theta_{jet}$ | Epk,0 (keV) | $d_{L}$ (cm) | $u_{0}$ (ergs cm-3) ---|---|---|---|---|---|---|---|---|--- 1.0 | 1.0 | 1.0 | 1.0 | 300 | 1.0 | 4.0/$\Gamma$ | 250.0 | $2.2\times 10^{28}$ | 1.0 ## 2\. The Model We have used a particular representation of the internal shock model for our purposes (Dermer 2004). This model consists of a single two-shell collision event occurring at a radius $r_{0}$ from the source, generating a uniform spherical shell, with Lorentz factor $\Gamma$, that radiates for a co-moving time between $t^{\prime}_{0}$ and $t^{\prime}_{0}+\Delta t^{\prime}$ with $\Delta t^{\prime}=\eta_{t}\Gamma t_{var}/(1+z)$, where $t_{var}$ is the observed variability time scale. The rest-frame–emission profile is assumed to be rectangular with instantaneous rise and decay phases. The opening angle of the jet is assumed to be $4/\Gamma$. Emission from angles greater than $4/\Gamma$ are ignored. This is a suitable compromise between considering emissions from an entire fireball surface ($0<\theta<\pi/2$) and a collimated jet ($\theta\sim 1/\Gamma$). As noted by Qin et al. 2004, limiting the radiation to $\theta<1/\Gamma$ leads to a cutoff-tail problem whereas the contributions from areas at $\theta>1/\Gamma$ fall off very rapidly. We find such a choice to be suitable for producing pulse profiles that may be directly compared with observations. The co-moving width of the shell $\Delta r^{\prime}$ is assumed to remain constant during the period of illumination and given by $\Delta r^{\prime}=\eta_{\Delta}\Gamma~{}c~{}t_{var}/(1+z)$. It is in this respect that the chosen model differs from previous studies. Previous studies (see for instance Qin et al. 2004, Shen et al. 2005) have studied the effects of curvature from a spherical surface in great detail. As shown subsequently, the effect of a finite shell where $\Delta r^{\prime}$ is comparable to $c\Delta t^{\prime}$, has a significant effect on the predicted observables such as spectral lags and pulse widths as a function of energy when compared to the models that study curvature effects from a surface. As $\Delta r^{\prime}<<c\Delta t^{\prime}$, we approach the infinitesimal shell or emission-surface situation and are able to recover many of the predictions of the aforementioned models. The emission spectrum in the co-moving frame may be described by any suitable spectral function such as a Broken Power-Law (BPL), Band, or Comptonized–Epk, peaking at a co-moving photon energy E${}^{\prime}_{pk,0}$ = (1 + z) Epk,0/2$\Gamma$ where Epk,0 is the observer frame Epk at the start of the pulse. The spectral indices at E $<$ Epk,0 and at E $>$ Epk,0 in counts space are denoted $\alpha$ and $\beta$, respectively. The curvature constraint requires that $r\lesssim 2\Gamma^{2}c~{}t_{var}/(1+z)$ (Fenimore et al. 1996). The radius is thus written using the expression $r_{0}=2\eta_{r}\Gamma^{2}c~{}t_{var}/(1+z)$, with $0\lesssim\eta_{r}\lesssim 1$. The parameters $\eta_{t}$, $\eta_{\Delta}$ and $\eta_{r}$ thus control the blast-wave duration, shell-thickness and radius of emission respectively. Figure 1.— Normalized light curves obtained using selected parameters except: Thin-shell pulse, $\eta_{\Delta}=0.1$; and the Curvature pulse, $\eta_{\Delta}=\eta_{t}=0.1$. The case of $\eta_{t}=\eta_{\Delta}=\eta_{r}=1$ is referred to as a Causal pulse (see Dermer 2004 for a detailed discussion of these three generic types of pulses). Figure 2.— Evolution of the spectral energy distribution due to curvature effects for the case of the causal pulse in Fig. 1. In the declining phase of the pulse, the value of $f_{E_{pk}}\propto$ E${}_{pk}^{3}$ is shown by the red line. Figure 3.— Lag vs. Energy for selected parameters except shell thickness $\eta_{\Delta}$. Red: $\eta_{\Delta}=1.0$; Green: $\eta_{\Delta}=0.5$; Blue: $\eta_{\Delta}=0.1$. Figure 4.— Lag vs. Energy due to different rest-frame spectral functions with selected parameters except Epk,0 = 200 keV. Here, Red: Broken-power-law with $\alpha=-1/3$, $\beta=-2.5$, Green: Band function with $\alpha=-0.8$, $\beta=-2.25$ and Blue: Comptonized-Epk with $\alpha=-0.8$. Figure 5.— Pulse FWHM vs. Energy for different shell-collision parameters $\eta_{\Delta}$ and $\eta_{t}$ for selected parameters except E${}_{pk}=200$ keV, a Band spectrum with $\alpha=-1.0$ and $\beta=-2.25$ and $t_{var}=1.0$ s, with: Pink: A pulse with Infinitesimal duration and shell thickness with $\eta_{\Delta}=0.001$ and $\eta_{t}=0.001$ Red: Curvature pulse with $\eta_{\Delta}=0.1$ and $\eta_{t}=0.1$; Green: Thin-shell pulse with $\eta_{\Delta}=0.1$ and $\eta_{t}=1$; and Blue: Causal pulse with $\eta_{\Delta}=1$ and $\eta_{t}=1$. Also shown is the exponent of the power- law that best fits the model points for the thin-shell and Causal pulses. Unless otherwise stated, the selected parameters used for the numerical calculations of the light curves, spectra and spectral lags are shown in Table. 1. Fig. 1 shows the normalized, generic pulse shapes obtained using the selected parameters. As can be seen, the cases of the thin-shell pulse ($\eta_{\Delta}<<\eta_{t}$) and the curvature pulse ($\eta_{\Delta}=\eta_{t}<<\eta_{r}$) produce the sharp featured light curves noted by Qin et. al. 2004 for emission from a rectangular pulse profile in the co-moving frame, and which are attributed to the effect of a suddenly-dimming emission profile. These two cases most closely correspond to a long duration and a short duration pulse in the co-moving frame respectively, and where the effects of a finite shell are suppressed. The case of the causal pulse ($\eta_{\Delta}=\eta_{t}=\eta_{r}=1$) however, shows that emission from a finite shell can produce smooth light curves without the need for a slowly dimming co-moving emission profile. Fig. 2 shows the evolution of the spectral energy distribution for the case of the curvature pulse shown in Fig. 1. The $\nu$Fν peak flux $f_{E_{pk}}$ $\propto$ E${}_{pk}^{3}$ equality line is shown in the decay portion of the pulse. Dermer (2004) shows that this equality holds in the declining phase for all pulses (a similar result has been derived by Qin et al. 2009). We also note that the presence of a finite shell affects the low energy and high energy fluxes equally and therefore does not effect the shape of the spectrum as a function of time as first noted by Qin et. al. 2002 in the context of emission from a fireball surface. Fig. 3 shows the spectral lag as a function of energy for a case with selected parameters but with varying shell thickness parameter, $\eta_{\Delta}$. Fig. 4 shows the lag as a function of energy for a case with selected parameters but with different rest-frame spectral functions (BPL, Band, and Comptonized–Epk). Fig. 5 shows the pulse Full-width at half-maximum (FWHM) as a function of energy for the various profiles shown in Fig. 1. For the purpose of comparison we have used a Band function with $\alpha=-1.0$ and $\beta=-2.25$, identical to Qin et. al. 2005. These authors have shown that the Doppler effect of a relativistically expanding fireball could lead to a power-law trend for the pulse width as a function of energy within a certain energy range. By taking a sizable sample of BATSE GRBs, they demonstrated that the pulse widths exhibit a plateau/power-law/plateau feature as a function of energy. They also note that the power-law index depends strongly on Epk and the rest-frame radiation spectrum. The plateau/power-law/plateau feature reported by Qin et al. 2005 is well reproduced here. Furthermore, we note that the power-law exponent is sensitive to the assumed thickness of the shell. Figure 6.— KRL pulse-fit for the light curve for GRB 110920 with residuals. Figure 7.— Light curve segments for 110920 with equal fluences. Figure 8.— Comparable pulses generated using the BPL (E${}_{peak}=300$ keV, $\alpha=-\frac{1}{3}$, $\beta=-2.5$), Band (E${}_{peak}=334$ keV, $\alpha=-0.2$, $\beta=-2.65$)and Comptonized–Epk (E${}_{peak}=280.1$ keV, $\alpha=-0.46$) spectral functions. The light curves have been offset by 20 seconds for better viewing. Figure 9.— $\nu F\nu$ Flux vs. Epk for the data from GRB 110920. The data were fit with the best-fit Comptonized–Epk function in the range 100-985 keV. Figure 10.— $\nu F\nu$ Flux vs. Epk from the model for the three rest-frame spectral functions described in the text with Blue: BPL; slope = 3.11 +/- 0.04, Pink: Band; slope = 3.39 +/- 0.10 and Black: Comptonized–Epk; slope = 2.57 +/- 0.01, for time segments identical to those used for the data. The flux scale has been offset for better viewing. Figure 11.— Lag vs. Energy from the model for the pulses shown in Fig. 7 with Red: Data, Solid blue squares: Comptonized–Epk, Hollow black squares: Band function and Pink crosses: BPL. The Band 2 energies are the mid-point of the energy in the second band. Figure 12.— Pulse FWHM vs. Energy for the data and the model for GRB 110920 for identical energy bands. Also shown is the exponent of the power-law that best fits the model points. ## 3\. Sample Selection and Methodology. As a first step we analyze either single-pulse GRBs, or GRBs with relatively simple light curves where the individual pulses within a multi-pulse structure in the light curve can be distinguished. In addition, we require that the GRB pulses be bright enough and of sufficient duration (the duration of the pulse is particularly relevant to tests of the peak-flux – peak-frequency relation) so that we may obtain reliable results from our analyses. After identifying a potential candidate GRB, we pulse-fit the GRB light curves using a suitable pulse function (such as the Kocevski-Ryde-Liang (KRL) pulse function: see Kocevski Ryde & Liang 2003 or the Norris pulse function: see Norris et al. 2005) in multiple energy bands. In order to support the supposition that a given strong pulse (obtained from a suitable pulse-fit) is not made from overlapping multiple pulses (within statistics), we perform a wavelet based minimum-variability time-scale (MTS) extraction. In essence, the MTS is a measure of the smallest temporal structure in a lightcurve. The full details of its extraction, and the technique in general, are given in MacLachlan et al. (2013). The correlation between MTS and pulse properties such as rise times and widths is discussed in MacLachlan et al. (2012). The best-fit pulse profile is then used as a representation of the light curve from the data. The time-integrated spectrum of the GRB is fit with a suitable function (Band, Comptonized–Epk etc.). The best-fit spectral function is used as the rest- frame emission spectrum in the model. The model parameters are then varied to generate a light curve that best matches the best-fit pulse profile. The light curve is subdivided into time segments with equal, and sufficiently high background-subtracted fluence in order to minimize the effects of varying signal-to-noise and an Epk is extracted via a spectral fit for each time segment. The $\nu$Fν flux is extracted at Epk in a range spanned by the Epk- error. The model light curve is treated in an identical fashion as the data with regard to segments. Model fluxes and Epk’s are extracted and the peak- flux – peak-frequency relation is tested. In addition, we extract spectral lags in suitable, identical energy bands from the data and the model and compare the predicted and the observed spectral-lag-energy evolution. The spectral lags are extracted using the cross-correlation-function analysis method as described in Ukwatta et. al (2010). ### 3.1. GRB 110920 - A Test Case The Fermi GRB 110920 is a single-pulse burst with a relatively long fast-rise, exponential-decay structure with a $T_{90}$ of 170 $\pm$ 17 seconds. The best fit Band parameters (see McGlynn et al. 2012 for a detailed discussion on the properties of this GRB) for the time interval [$T_{0}+0.003,T_{0}+52.737$] (where $T_{0}$ is the trigger time) were $\alpha=-0.20\pm 0.02$, $\beta=-2.65^{+0.07}_{-0.09}$ and $E_{peak}=334\pm 5$ keV with C-stat = 3206.5 (485 d.o.f.). However, when a blackbody component was included in the fit, the C-stat was reduced to 2848.3 (483 d.o.f.). The peak energy of the Band component was shifted up to $E_{peak}=978^{+154}_{-121}$ keV and the temperature of the blackbody was found to be $kT=61.3^{+0.7}_{-0.6}$ keV. The low energy index $\alpha$ became ($-1.05\pm 0.04$). McGlynn et al. (2012) have attributed this blackbody component to the photospheric emission (see for instance: Ryde, 2005; Rees & Meszaros, 2005). Since the redshift (z) is undetermined for this GRB, they have assumed a value of z = 2 and then used photospheric emission models to obtain a bulk Lorentz factor, $\Gamma$ of $\sim$ 440\. A careful analysis, based partly on the results presented above, allowed us to separate the underlying pulse structure from the overall structure of the light curve. Fig. 6 shows the full light curve for the GRB in the energy range 100 – 985 keV along with the best-fit KRL pulse function. The energy range was so chosen to avoid contamination from the soft component (below 100 keV). The best-fit KRL function was then used as the representation of the light curve to be matched by the model. We assumed a Bulk Lorentz factor $\Gamma$ = 440 and z = 2 (as in McGlynn et al. 2012). Fig. 7 shows the segmentation of the light curve into equal-fluence segments. The time-integrated energy- spectrum of the pulse was fit with a Band function (as in McGlynn et al 2012, in the energy range, 8 - 985 keV) and a Comptonized–Epk function (in the range 100-985 keV) and these, along with a theoretical BPL function (originally used by Dermer 2004) were used as rest-frame spectra for the model. We varied the shell-collision parameters and extracted best-fit pulses using these three spectral functions (see Fig. 8 for the pulses as well as details of the corresponding spectral parameters). The resulting best-fit shell-collision parameters, together with a best-fit value of $t_{var}=44$ seconds and the chosen values of $\Gamma$ and z, yielded a radius, $r_{0}$ of 1.5 $\times 10^{17}$ cm, a shell thickness, $\Delta r^{\prime}$ of 8.8 $\times 10^{12}$ cm and a co-moving frame pulse-duration, $\Delta t^{\prime}$ of 2.0 $\times 10^{3}$ seconds for the Comptonized–Epk spectral function. The corresponding values for the Band and BPL functions were very similar. Figs. 9 and 10 show our results for the peak-flux–peak-frequency relation for the data with the best-fit Comptonized-Epk function and the model using the three different rest-frame spectra. Fig. 11 shows the spectral lags for the light curves of Fig. 8. In order to explore the evolution of the pulse width with energy, we extracted the FWHM and plotted this as a function of energy. The plot is shown in Fig. 12. The energy bands chosen (in keV) were 8–25, 25–50, 50–100, 100–150, 150–200, 200–250, 250–350, 350–985. These energy bands were so chosen as to ensure a sufficient number of counts in each energy band for a reliable measurement of pulse FWHM while also providing a sufficient number and spacing of bands to show the trend curve. As the KRL function does not fit the pulses below 150 keV accurately, we employed a Monte-Carlo simulation where 1000 light curves were simulated in each energy band using the square-root of the counts as their errors (assuming independent Poisson distributions for the counts), the pulse FWHM was extracted for each light curve, and the mean and standard deviation of the 1000 pulse FWHMs were used as the pulse FWHM and its error respectively for each band. We fit a power-law of the form C$E^{a}$ to the model points and extracted an exponent of -0.31 +/- 0.03. ## 4\. Discussion Before we turn to the test-case GRB, we note that in the model calculation for a broken-power-law rest-frame spectrum, the lag shows a relatively well- defined trend with no lags at energies below $\sim$ 0.3Epk,0 and a constant lag for all energies above Epk,0 (Fig. 4). Increasing or decreasing the value of Epk,0, while keeping all other model parameters fixed, only shifts the entire curve in the direction of increase or decrease. Shen et al. (2005) studied the lags due to curvature effects using different rest-frame emission profiles. They found that for an infinitesimal shell, a rectangular profile produces no lags. We find the situation to be quite different for the case of a finite shell thickness. In addition, as depicted in Fig 4, a change in the rest-frame spectrum also has a significant effect in the evolution of the spectral lag with energy. In the case of a Band or Comptonized–Epk function, the lags are small for energies small compared to Epk,0, and the lags for a Comptonized–Epk function do not show a saturation energy. This is primarily because the Comptonized–Epk function varies monotonically at all energies and does not have a well-defined break energy. The value of $r_{0}$ obtained for the test case is consistent with estimates for an internal shock model (see for e.g. Hascoet et al. 2012). While the value of $\Delta r^{\prime}$ ($\sim 10^{13}$ cm) seems reasonable, it is difficult to infer the significance of its absolute magnitude in the context of the current analysis. The inclusion of a finite-shell-thickness component in our curvature model also produces relatively large lags ($\sim$ a few seconds) without a need for extreme physical parameters such as $\Gamma<$ 50 (as concluded by Shen et al. 2005), or a large local pulse width ($\sim 10^{7}$ seconds as concluded by Lu et al. 2006). We find that a rest-frame pulse duration, $\Delta t^{\prime}\sim 10^{3}$ seconds is sufficient to produce such lags. Our results for the test case show that an internal shock model with a rest- frame spectrum identical to that used to fit the data (the Comptonized–Epk and Band functions), reproduces the observed pulse profile as well as the observed spectral lags. It was difficult to determine if there was a saturation energy present in the lag-energy-evolution (Fig. 11) as there were insufficient counts to extract lags in higher energy bands. As noted above, a finite shell thickness can account for observed lags even for the case of a rectangular rest-frame emission profile. A second Band function component with a peak shifted to 1 MeV (when a blackbody component is included in the fit) would imply a 1 MeV break energy in the lag-energy plot, and would also predict no lags (or small lags in the case of the Comptonized–Epk) below $\sim$300 keV. This does not match the observations. It can be seen from Fig. 10 that the exponent in the peak-flux–peak-frequency relation is close to 3 in all cases for the model pulses shown in Fig. 8. This confirms the observations of Dermer (2004) that the exponent at times after the peak of the light curve is close to 3 even with different choices of rest-frame spectra. However, this does not match the exponent obtained from the data (Fig. 9). While a connection may exist between the observed spectral evolution and the spectral lags, it appears that curvature effects alone cannot describe this connection and additional emission mechanisms may be needed. We note in passing that Guirec et al. (2012) have included a blackbody component to describe the temporal and spectral properties of a number of GRBs. We have also explored the behavior of the pulse width with energy. As shown in Fig. 12, the pulse-width decreases with energy approximately as a power law. Both the data and the model predictions exhibit similar trends although the low-energy agreement is marginal. The exponent of the power law (-0.31 +/- 0.03) matches well the exponent extracted by Fenimore et. al. (1995), who analyzed a large sample of bright BATSE bursts and obtained an average power- law exponent of about -0.4. A similar result was also obtained by Peng et al. 2006 who analyzed a sizeable sample of bright single pulses in BATSE GRBs. In addition, in a recent work based on an analysis of 51 long-duration FRED-like single-pulses from the BATSE data, Peng et. al. 2012 showed that the curvature effect combined with a Band rest-frame spectrum can explain the energy dependence of the pulse widths. Cohen et al. (1997) have suggested that such an exponent is consistent with a population of electrons losing energy via synchrotron radiation, a process for which the exponent is predicted to be -0.5. ## 5\. Conclusions We have used a simple two-shell collision model to investigate curvature effects in the prompt emission of GRBs. We have examined the effects of emission spectra such as the Band, the Comptonized–Epk, and the BPL functions. We have focused primarily on the peak-flux – peak-frequency relation and the evolution of the spectral lags and the pulse widths with energy. We compare our model results with the results of similar models in the literature and also present a test case study of GRB 110920. We summarize our main findings as follows: * • We find that introduction of a finite shell thickness in the curvature formulation can produce smooth light curves, i.e., without a rapid transition from the rise to the decay portions even for the case of a rectangular rest- frame emission profile. As we approach the infinitesimal shell (surface) approximation, we recover the sharp featured light-curve profile of Qin et. al. 2004 for a rapidly dimming intrinsic emission profile. * • While we agree with Shen et al. (2005) that an infinitesimal shell produces no discernible spectral lag using a rectangular emission-pulse-profile, we find the situation to be different for a shell of finite thickness i.e., a finite spectral lag can be produced even with a rectangular pulse profile; * • The spectral lag evolution as a function of energy is quite sensitive to the type of rest-frame spectrum. For example, the Comptonized–Epk model does not appear to exhibit a saturation energy at which the spectral lags reach a plateau phase as in the case of the Band and the broken-power-law functions. We agree with Shen at al (2005) that the spectral lags seem to approach a maximum when Epk is near the high-energy channel used in extracting the lag. Most likely this simply reflects the break energy present in the assumed rest- frame spectrum (i.e., Band and BPL); * • All rest-frame spectral models tested exhibit the peak-flux – peak-frequency relation although with exponents that differ from the predicted exponent of 3. The significance of this discrepancy is not clear at this stage and warrants further investigation; * • The peak-flux – peak-frequency test for GRB 110920 yields an exponent of 1.64 +/- 0.012 compared to the theoretical one of 2.57 +/- 0.01 (with Comptonized–Epk as the rest-frame spectrum). We consider this discrepancy to be significant and the result to be in disagreement with the prediction based purely on effects of curvature. Similar conclusions were reached by Dermer (2004), Qin (2009) and Borgonovo and Ryde (2001); * • Both the data (test GRB) and the model exhibit a very similar power-law trend for the pulse width with energy. The plateau/power-law/plateau feature noted by Qin et al. 2005 is well reproduced with a given choice of key model parameters. In addition, we note that the power-law exponent is sensitive to the assumed shell thickness. For the test-case GRB, the power-law exponent matches well with exponents extracted from a larger sample of GRBs from earlier studies (Fenimore et al. 1995; Peng et. al. 2006, 2012); and * • Relatively good agreement is obtained with all rest-frame spectral models for the spectral lag versus energy for the test GRB. This is somewhat surprising given the result of the peak-flux – peak-frequency test noted above. It would seem that some complex interplay is at work between various model parameters such as shell thickness, variability time scale, the energy evolution of Epk and the Lorentz factor. The investigation of the dependencies of these various parameters is ongoing. The role of the reported soft component of the light curve for GRB 110920 has not been fully investigated in this study and is worth pursuing, particularly with regard to the behavior of the peak-flux–peak-frequency relation. Finally, we note that these studies are being extended to a larger sample of GRBs. ## Acknowledgements The authors (AS and KSD) would like to acknowledge A. Eskandarian and O. Kargaltsev (both from the George Washington University) for their valuable contributions to the discussions as well as the financial support provided by them to A. Shenoy at various stages of this work. ## References * Borgonovo (2001) Borgonovo L. & Ryde, F. 2001, ApJ, 548, 770, * (2) Chen L. et al., 2005, ApJ, 619, 983 * (3) Cheng L. et al., 1995, A&A, 300, 746 * (4) Daigne F. & Mochkovitch, R. 1998, MNRAS, 296, 275 * (5) Dermer C. D. 2004, ApJ, 614, 284 * (6) Fenimore E. E. et. al. 1995, ApJ, 448, 101 * (7) Fenimore E. E., Madras, C. 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arxiv-papers
2013-04-15T17:03:51
2024-09-04T02:49:44.386776
{ "license": "Public Domain", "authors": "A. Shenoy, E. Sonbas, C. Dermer, L. C. Maximon, K. S. Dhuga, P. N.\n Bhat, J. Hakkila, W. C. Parke, G. A. Maclachlan, T. N. Ukwatta", "submitter": "Eda Sonbas", "url": "https://arxiv.org/abs/1304.4168" }
1304.4203
Non-dipolar magnetic field at the polar cap of neutron stars and the physics of pulsar radiation Niedipolowe pole magnetyczne nad czapą polarną gwiazdy neutronowej a fizyka promieniowania pulsarów Andrzej Szary prof. dr hab. Giorgi Melikidze Zielona Góra To Natalia, my daughter, and Beata, my wife, for being there... CHAPTER: ABSTRACT Despite the fact that pulsars have been observed for almost half a century, until now many questions have remained unanswered. One of the fundamental problems is describing the physics of pulsar radiation. By trying to find an answer to this fundamental question we use the analysis of X-ray observations in order to study the polar cap region of radio pulsars. The size of the hot spots implies that the magnetic field configuration just above the stellar surface differs significantly from a purely dipole one. By using the conservation of the magnetic flux we can estimate the surface magnetic field as of the order of $10^{14}\,{\rm G}$. On the other hand, the temperature of the hot spots is about a few million Kelvins. Based on these two facts the Partially Screened Gap (PSG) model was proposed to describe the Inner Acceleration Region (IAR). The PSG model assumes that the temperature of the actual polar cap is equal to the so-called critical value, i.e. the temperature at which the outflow of thermal ions from the surface screens the gap completely. We have found that, depending on the conditions above the polar cap, the generation of high energetic photons in IAR can be caused either by Curvature Radiation (CR) or by Inverse Compton Scattering (ICS). Completely different properties of both processes result in two different scenarios of breaking the acceleration gap: the so-called PSG-off mode for the gap dominated by CR and the PSG-on mode for the gap dominated by ICS. The existence of two different mechanisms of gap breakdown naturally explains the mode-changing phenomenon. Different characteristics of plasma generated in the acceleration region for both processes also explain the pulse nulling phenomenon. Furthermore, the mode changes of the IAR may explain the anti-correlation of radio and X-ray emission in very recent observations of PSR B0943+10 [87]. Simultaneous analysis of X-ray and radio properties have allowed to develop a model which explains the drifting subpulse phenomenon. According to this model the drift takes place when the charge density in IAR differs from the Goldreich-Julian co-rotational density. The proposed model allows to verify both the radio drift parameters and X-ray efficiency of the observed pulsars. Pomimo, że pulsary są badane już od prawie pół wieku, do dzisiaj nie udało się znaleźć odpowiedzi na wiele pytań. Jednym z fundamentalnych problemów jest opis fizyki promieniowania pulsarów. Próbując znaleźć odpowiedź na to fundamentalne pytanie, wykorzystujemy analizę obserwacji rentgenowskich w celu badania obszaru czapy polarnej pulsarów. Rozmiar obserwowanych gorących plam wskazuje, że konfiguracja pola magnetycznego na powierzchni gwiazdy różni się znacznie od pola czysto dipolowego. Wykorzystując prawo zachowania strumienia magnetycznego możemy oszacować siłę pola magnetycznego w obszarze czapy polarnej, które dla obserwowanych pulsarów jest rzędu $10^{14}\,{\rm G}$. Z drugiej strony obserwowana temperatura gorącej plamy jest rzędu kilku milionów kelwinów. Opierając się na tych dwóch faktach wykorzystujemy model częściowo-ekranowanej przerwy akceleracyjnej (z ang. Partially Screened Gap - PSG), aby opisać wewnętrzną przerwę akceleracyjną (z ang. Inner Acceleration Region - IAR). Model PSG zakłada, że temperatura czapy polarnej jest bliska do tak zwanej wartości krytycznej tzn. takiej przy, której termiczny odpływ jonów z powierzchni w pełni ekranuje przerwę akceleracyjną. W zależności od warunków jakie panują w obszarze czapy polarnej, mechanizmem odpowiedzialnym za generowanie wysokoenergetycznych fotonów w IAR może być promieniowanie krzywiznowe (z ang. Curvature Radiation - CR) lub odwrotne rozpraszanie Comptona (z ang. Inverse Compoton Scattering - ICS). Całkowicie różne właściwości obu tych procesów prowadzą do sytuacji, w której możemy wyróżnić dwa scenariusze zamknięcia przerwy akceleracyjnej: tzw. PSG-off dla przerwy zdominowanej przez promieniowanie CR, oraz tzw. PSG-on dla przerwy zdominowanej przez ICS. Istnienie dwóch różnych mechanizmów zamknięcia przerwy w naturalny sposób tłumaczy zjawisko zmiany trybu promieniowania pulsarów (z ang. mode-changing). Różna charakterystyka plazmy generowanej w obszarze akceleracyjnym dla obu tych trybów tłumaczy zjawisko sporadycznego braku pojedynczych pulsów (z ang. pulse nulling) w obserwacjach radiowych. Co więcej zmiana trybu w jakim pracuje przerwa akceleracyjna może zostać powiązana z antykorelacją promieniowania radiowego i rentgenowskiego wykazaną w ostatnich obserwacjach PSR B0943+10 [87]. Jednoczesna analiza właściwości promieniowania rentgenowskiego i radiowego pozwoliła na opracowanie modelu dryfujących składowych pulsu pojedynczego (z ang. subpulses). Model ten zakłada, że dryf jest wynikiem różnicy gęstości ładunku w IAR w stosunku do gęstości korotacji. Proponowany model pozwala zarówno na weryfikację wyznaczonych parametrów dryfu oraz na weryfikację np. efektywności promieniowania rentgenowskiego. CHAPTER: INTRODUCTION The history of neutron stars began in the early 1930s when Subrahmanyan Chandrasekhar calculated the critical mass for a white dwarf. As soon as the mass of a white dwarf exceeds the critical value (e.g. due to accretion of matter from a companion star) it collapses and a neutron star is formed. Chandrasekhar estimated that the critical mass was approximately $1.4$ solar masses (${\rm M}_{\odot}$). Even before James Chadwick's discovery of neutrons [31], Lev Landau anticipated the existence of neutron stars by writing about stars in which “atomic nuclei come in close contact, forming one gigantic nucleus”. In 1934 [7] proposed that the “supernova process represents the transition of an ordinary star into a neutron star”. Five years later 138, using the work of 173, computed an upper bound on the mass of a star composed of neutron-degenerate matter. They assumed that the neutrons in a neutron star form a cold degenerate Fermi gas which leads to an upper bound of approximately $0.7\,{\rm M}_{\odot}$. Modern estimates of the critical mass for neutron stars range from approximately $1.5\,{\rm M}_{\odot}$ to $3\,{\rm M}_{\odot}$ [24]. This uncertainty reflects the fact that the equation of state for extremely dense matter is not well known. Let us note that the radius of a neutron star should be $R\approx10{\rm \, km}$. On the other hand nobody expected to detect any emission from neutron stars due to their small size and the lack of theoretical predictions about any radiation processes, except for thermal radiation. Thus, it took almost forty years to detect emission from a neutron star. The breakthrough came on 28 November 1967 with the radio observations that were performed by Jocelyn Bell-Burnell and Anthony Hewish. They observed radio pulses separated by $1.33$ seconds. The world “pulsar” was adopted to reflect the specific property of these celestial objects. The suggestion that pulsars were rotating neutron stars was put forth independently by 69 and 139, and was soon proved beyond a reasonable doubt by the discovery of a pulsar with a very short ($33$-millisecond) pulse period in the Crab nebula. It was suggested that this pulsar powers the activity of the nebula [139]. Nearly 2000 pulsars have been found so far. Observations of pulsars provide valuable information about neutron star physics, general relativity, the interstellar medium, celestial mechanics, planetary physics, the Galactic gravitational potential, the magnetic field and even cosmology. Studying neutron stars is therefore a very broad issue and it is beyond the scope of this thesis to describe the current status of the theory of neutron stars or pulsar population studies in detail. We rather refer the reader to the literature [129, 128, 68, 179] and provide only a basic theoretical background that is relevant to the subject of this thesis. Following the ideas of 139 and 69 radio pulsars can be interpreted as rapidly spinning, strongly magnetised neutron stars radiating at the expense of their rotational energy. Neutron stars consist of compressed matter with density in its core exceeding nuclear density $\rho_{{\rm nuc}}=2.8\times10^{14}{\rm \, g\, cm^{-3}}$. Direct and accurate mass measurements come from timing observations of binary pulsars and are consistent with a typically assumed neutron star mass $M\approx1.4\,{\rm M}_{\odot}$. Most models predict a radius of $R\sim10\,{\rm km}$, which is consistent with the theoretical upper and lower limits. However, the measurements of neutron star radii are much less reliable than the mass measurements. Therefore, the moment of inertia for these canonical values ($M=1.4\,{\rm M}_{\odot}$, $R=10{\rm \, km}$) $I\approx\left(2/5\right)MR^{2}\approx10^{45}{\rm \, g\, cm^{2}}$ may be uncertain by $\sim70\%$. The increase rate of a pulsar period, $\dot{P}={\rm d}P/{\rm d}t$, is related to the rate of rotational kinetic energy loss (spin-down luminosity) $\dot{E}=L_{{\rm SD}}=4\pi^{2}I\dot{P}P^{-3}$. In most cases only a tiny fraction of $\dot{E}$ can be converted into radio emission. The efficiency, $\chi_{{\rm radio}}=L_{{\rm radio}}/\dot{E}$, in the radio bands is typically in the range of $\sim10^{-7}-10^{-5}$. It is assumed that the bulk of the rotational energy is converted into magnetic dipole radiation. The expected evolution of the angular velocity ($\Omega=2\pi/P$) of a rotating magnetic dipole can be described as $\dot{\Omega}\sim\Omega^{n}$, and the breaking index is $n=3$ for the pure dipole radiation. Indeed, the observed values of the breaking index (e.g. 15) confirm the above statement, e.g.: for the Crab $n=2.515\pm0.005$, for PSR B1509-58 $n=2.8\text{\ensuremath{\pm}}0.2$, for PSR B0540-69 $n=2.28\text{\ensuremath{\pm}}0.02$, for PSR J1911-6127 $n=2.91\pm0.05$, for PSR J1846-0258 $n=2.65\text{\ensuremath{\pm}}0.01$, and for the Vela pulsar $n=1.4\text{\ensuremath{\pm}}0.2$. On the other hand the observations of pulsar wind nebulae suggest that a significant fraction of the pulsar rotational energy is carried away by a pulsar wind. Furthermore, recent observations of high energy radiation from pulsars show that significantly more energy is radiated in the form of X-rays and $\gamma$-rays than in the form of radio emission (e.g. 1). Thus, pure magnetic breaking does not provide full information about the physical processes that take place in the pulsar magnetosphere. Despite the fact that pulsars have been observed for almost half a century, many questions still remain unanswered. One of the fundamental problems concerns the physics of pulsar radiation. Radio observations alone cannot point to the model (e.g. vacuum gap, slot gap, outer gap, free outflow, etc.) that correctly describes the source of pulsar activity. Observations carried out by relatively new high-energy instruments, e.g. Chandra and XMM-Newton, significantly extended the spectra over which we can study pulsars and their environments. There is no consensus about the origin of pulsar X-ray emission [129]. We can distinguish two main types of models: the polar gap and the outer gap. The polar gap models suggest that the emission region is located in the vicinity of the neutron star polar caps, while the outer gap models assume that particle acceleration and X-ray emission take place close to the pulsar light cylinder [The light cylinder with radius $R_{{\rm LC}}=cP/2\pi$ is defined as a place where the azimuthal velocity of the co-rotating magnetic field lines is equal to the speed of light ($c$) ]. In both types of models high energy radiation is generated by relativistic particles accelerated in charge-depleted regions, while the high energy photons are emitted by means of Curvature Radiation (CR), Synchrotron Radiation (SR) and Inverse Compton Scattering (ICS). Both models are able to interpret existing observational data. In this thesis we will use the Partially Screened Gap (PSG) model [63]. The PSG model assumes the existence of the Inner Acceleration Region (IAR) above the polar cap (a region penetrated by the open field lines) where the electric field has a component along the magnetic field. In this region particles (electrons and positrons) are accelerated in both directions: outward and toward the stellar surface. Consequently, outflowing particles are responsible for generation of magnetospheric emission (radio and high-frequency) while the backflowing particles heat the surface and provide the required energy for thermal emission. The PSG model is an extension of the Standard Model developed by 156 and takes into account the thermionic ion flow from the stellar surface heated up to a high temperature (a few million Kelvins) by the backstreaming particles. In such a scenario an analysis of X-ray radiation is an excellent method of obtaining insight into the most intriguing region of the neutron star. CHAPTER: X-RAY EMISSION FROM RADIO PULSARS § BRIEF HISTORICAL OVERVIEW X-ray photons can only be detected by telescopes operating at high altitudes or above the Earth's atmosphere, thus detectors should be mounted on high-flying balloons, rockets or satellites. The first (i.e. carried out from space) X-ray observations were performed by a team led by Herbert Friedman in 1948. The team estimated the luminosity of X-ray radiation from the solar corona. They found that X-ray luminosity is weaker by a factor of $10^{6}$ than luminosity in the optical wave range. Up until the early 1960s it was widely believed that all other stars should be so faint in the X-rays that their observations would be hopeless. The situation changed in 1962 when a team led by Bruno Rossi and Riccardo Giacconi, when trying to find fluorescent X-ray photons from the moon, accidentally detected X-rays from Sco X-1. Subsequent flights launched to confirm these first results detected Tau X-1, a source in the constellation Taurus which coincided with the Crab supernova remnant [26]. The search for similar sources became a source of strong motivation for the further development of X-ray astronomy. Before the first direct detection of a neutron star by 90, it was predicted that neutron stars could be powerful sources of thermal X-ray emission due to a high surface temperature ($T_{{\rm s}}$). The expected value of the surface temperature was estimated as $T_{{\rm s}}\sim1\,{\rm MK}$ [41, 174]. The first X-ray observations of isolated neutron stars [The term ”isolated” is omitted hereafter in the text however all X-ray observations presented in this thesis concern isolated neutron ] were initiated by the Einstein Observatory, which was launched by NASA in 1978. Using a high-resolution imaging camera sensitive in the $0.2-3.5\,{\rm keV}$ energy range provided unprecedented levels of sensitivity (hundreds of times better than had previously been achieved). The Einstein detected X-ray emission from a number of neutron stars (mainly as compact sources in supernova remnants) such as the middle-aged radio pulsars B0656+14, B1055-52 and the old pulsar B0950+08. The Einstein observatory re-entered the Earth's atmosphere and burned up on 25 March 1982. The next ”decade of space science” was opened in the 1990s with the launch of the ROSAT mission that was sensitive in the $0.1-2.4\,{\rm keV}$ energy range. One of the major results achieved with the ROSAT was the identification of the $\gamma$-ray source Geminga as a pulsar, hence a neutron star [79]. The current era of X-ray observations of neutron stars was begun with the launch of two satellites: the XMM-Newton owned by the European Space Agency and the Chandra owned by the National Aeronautics and Space Administration. These two grazing-incidence X-ray telescopes were placed in orbit in 1999. They were equipped with cameras and high-resolution spectrometers sensitive to low-energy X-rays: from $0.08$ to $10\,{\rm keV}$ for the Chandra and from $0.1$ to $15\,{\rm keV}$ for the XMM-Newton. While the two observatories have similar designs, they are not identical. The XMM-Newton observatory has three X-ray telescopes that provide six times the collecting area and a broader spectral range in images than the Chandra, while the Chandra has a much finer spatial resolution and a broader spectral range in its high-resolution spectroscopy than does the XMM-Newton. Both observatories are in a highly-elliptical orbit that permits continuous observations of up to 40 hours. The Chandra and XMM-Newton have greatly increased the quality and availability of observations of X-ray thermal radiation from neutron star surfaces. The total number of isolated neutron stars of different types detected in X-rays is hard to find since not all data have been published. Some authors estimate that about one hundred rotation-powered pulsars were detected in the X-rays [185, 15]. § X-RAY EMISSION FROM ISOLATED NEUTRON STARS X-ray emission is a common feature of all kinds of neutron stars. Furthermore, X-ray observations have led to the discovery of other types of neutron stars that for various reasons were missed in the standard searches for radio pulsars. These new classes, such as X-ray Dim Isolated Neutron Stars, Central Compact Objects in supernovae remnants, Anomalous X-ray Pulsars, and Soft Gamma-ray Repeaters, are only a small fraction of the whole number of observed pulsars but provide valuable information on the diversity of the neutron star X-ray radiation from an isolated neutron star can in general consist of two distinguishable components: thermal and nonthermal emissions. The thermal emission can originate either from the entire surface of a cooling neutron star or from spots around the magnetic poles on the stellar surface (polar caps and adjacent areas). The temperature of a neutron star at the moment of its formation is extremely high - its value is even as high as $10^{10}-10^{11}\,{\rm K}$. Such a high initial temperature leads to very fast cooling, and after several minutes the temperature of the star interior falls to $10^{9}-10^{10}{\rm \, K}$. After $10-100\,{\rm yr}$ the neutron star will cool down to a few times $10^{6}\,{\rm K}$. At this point, depending on the still poorly known properties of super-dense matter, the temperature evolution can follow two different scenarios. The standard cooling scenario predicts that the temperature decreases gradually, down to $\sim\left(0.3-1\right)\times10^{6}\,{\rm K}$ by the end of the neutrino cooling era and then falls exponentially to temperatures lower than $\sim10^{5}\,{\rm K}$ in $\sim10^{7}\,{\rm yr}$. In the accelerated cooling scenario, which implies higher central densities (up to $10^{15}\,{\rm g\, cm^{-3}}$) and/or exotic interior composition (e.g. quark plasma), at the age of $\sim10-100\,{\rm yr}$ the temperature decreases rapidly down to $\sim\left(0.3-0.5\right)\times10^{6}\,{\rm K}$ and is followed by a more gradual decrease down to the same $\sim10^{5}\,{\rm K}$ in $\sim10^{7}\,{\rm yr}$ [15]. The thermal evolution of neutron stars is very sensitive to the composition (and structure) of their interiors, therefore, measuring surface temperatures is an important tool in studying super-dense matter. In addition to a thermal component emitted from the entire surface, other thermal components can also be seen. One of these additional components could be related to the reheating of the polar cap region by relativistic backflowing particles (electron and/or positrons) created and accelerated in the so-called polar gaps (see Chapter <ref>). The temperature of these hot spots does not obey the same age dependence as the thermal evolution of neutron stars. Thus, depending on the pulsar age the thermal radiation may be dominated by either the entire surface (for younger neutron stars) or the hot spot components (for older neutron stars). The nonthermal component is usually attributed to the emission produced by Synchrotron Radiation (SR) and/or Inverse Compton Scattering (ICS) of charged relativistic particles accelerated in the pulsar magnetosphere. As the energy of these particles follows a power-law distribution, nonthermal emission is also characterised by power-law The X-ray spectrum of a neutron star (thermal and nonthermal) depends on many factors, e.g. the age of the star ($\tau$), inclination angle, strength and geometry of the magnetic field, etc. In most of the very young pulsars ($\tau\sim1\,{\rm kyr}$) the nonthermal component dominates, thus making it impossible to accurately measure the thermal flux – only the upper limits for the surface temperature can be derived. As a pulsar becomes older, its activity (nonthermal luminosity) decreases roughly proportionally to its spin-down luminosity $L_{{\rm SD}}$. A spin-down luminosity generally decreases with the increasing star age, as $L_{{\rm SD}}\propto\tau^{-m}$, where $m\simeq2-4$ depends on the pulsar dipole breaking index [186]. With the increase of the pulsar age the luminosity of the surface thermal radiation decreases more slowly than the luminosity of the nonthermal one. Thus, the thermal radiation from an entire stellar surface can dominate a soft X-ray spectrum of middle-aged ($\tau\sim100\,{\rm kyr}$) and some younger ($\tau\sim10\,{\rm kyr}$) pulsars. For the old neutron stars ($\tau>1\,{\rm Myr}$), a surface temperature $T_{{\rm s}}<0.1\,{\rm MK}$ makes it impossible to detect the thermal radiation from the entire surface by available observatories. However, most of the pulsar models predict the heating up of polar caps to very high temperatures ($T_{{\rm s}}\apprge1\,{\rm MK}$) by relativistic particles which are created in the pulsar acceleration zones. Conventionally, it is assumed that the polar cap radius is $R_{{\rm dp}}=\sqrt{2\pi R^{3}/cP}$. Since the spin-down luminosity $L_{{\rm SD}}$ is the source for both nonthermal (magnetospheric) and thermal (polar cap) components, it is hard to predict which one would prevail in the X-ray flux of old neutron stars. Figure <ref>a shows the ratio of a thermal luminosity to a nonthermal one as a function of the pulsar age. Since calculating this ratio is possible only for pulsars with blackbody plus power-law fit, only these pulsars are included in the Figure. There is also a significant number of pulsars ($16$) with the spectra dominated by nonthermal components. Let us note that it is impossible to determine the thermal components for these pulsars. Most of them are young neutron stars $\sim10^{3}-10^{4}\,{\rm yr}$, but there are also much older ones ($\sim10^{6}\,{\rm yr}$). In addition, there is a group of $4$ pulsars with the spectra dominated by thermal components (without a visible nonthermal component). Their age also varies in quite a wide range $10^{4}-10^{6}\,{\rm yr}$. [Nonthermal and thermal components in the X-ray spectra of neutron stars]Ratio of X-ray luminosities (thermal and nonthermal components) as a function of $\tau$ (panel a) and $B_{{\rm d}}$ (panel b). The plots contain only those pulsars for which the BB+PL (Black-Body plus Power-Law) spectral fit exists. The number labels at the points correspond to the pulsar numbers in Table <ref>. As it follows from the left panel of Figure <ref>, there is no obvious relation between pulsar age and the ratio of luminosities. The spectra of pulsars with a similar age may be dominated either by nonthermal (e.g. PSR B1951+32, PSR B1046-58) or thermal (e.g. PSR B0656+14, PSR J0538+2817) components. It is difficult to provide a more detailed analysis because, on the one hand, the observational errors are large and, on the other hand, a separation of thermal and nonthermal components is often not possible. The ratio of luminosities also does not show any correlation with the strength of the dipolar magnetic field (see the right panel of Figure <ref>). Let us note that the value of the dipolar magnetic field is conventionally calculated by adopting that the spin-down luminosity is equal to the power of magneto-dipole radiation (neglecting the influence of a pulsar wind). Then, assuming a dipolar structure of the neutron star magnetic field down to the stellar surface, we estimate its strength (measured in Gauss) at the pole as \begin{equation} B_{{\rm d}}=2.02\times10^{12}\left(P\dot{P}_{-15}\right)^{0.5}. \end{equation} Here $P$ is a period in seconds and $\dot{P}_{-15}=\dot{P}\times10^{15}$. The actual strength of the surface magnetic field can greatly exceed the above value (see Chapter <ref>). Table <ref> presents the basic parameters of the 48 pulsars that we use in this thesis, while the results of the X-ray observations of these pulsars are listed in Tables <ref> and <ref>. [Parameters of rotation-powered normal pulsars with detected X-ray radiation] Parameters of rotation powered normal pulsars with detected X-ray radiation. The individual columns are as follows: (1) Pulsar name, (2) Barycentric period $P$ of the pulsar, (3) Time derivative of barycentric period $\dot{P}$, (4) Canonical value of the dipolar magnetic field $B_{{\rm d}}$ at the poles, (5) Spin-down energy loss rate $L_{{\rm SD}}$ (spin-down luminosity) , (6) Dispersion measure $DM$, (7) Best estimate of pulsar distance $D$ (used in all calculations), (8) Best estimate of pulsar age or spin-down age $\tau=P/\left(2\dot{P}\right)$, (9) Pulsar number (used in the Figures). Parameters of the radio pulsar have been taken from the ATNF catalogue. Name $P$ $\dot{P}$ $B_{{\rm d}}$ $\log L_{{\rm SD}}$ $DM$ $D$ $\tau$ No. $\left({\rm s}\right)$ $\left(10^{-15}\right)$ $\left(10^{12}\,{\rm G}\right)$ $\left({\rm erg\, s^{-1}}\right)$ $\left({\rm cm^{-3}\, pc}\right)$ $\left({\rm kpc}\right)$ J0108–1431 $0.808$ $0.077$ $0.504$ $30.76$ $2.38$ $0.18$ $166$ Myr 1 J0205+6449 $0.066$ $193.9$ $7.210$ $37.43$ $141$ $3.20$ $5.37$ kyr 2 B0355+54 $0.156$ $4.397$ $1.675$ $34.65$ $57.1$ $1.04$ $564$ kyr 3 B0531+21 $0.033$ $422.8$ $7.555$ $38.66$ $56.8$ $2.00$ $1.24$ kyr 4 J0537–6910 $0.016$ $51.78$ $1.846$ $38.69$ – $47.0$ $4.93$ kyr 5 J0538+2817 $0.143$ $3.669$ $1.464$ $34.69$ $39.6$ $1.20$ $30.0$ kyr 6 B0540–69 $0.050$ $478.9$ $9.934$ $38.18$ $146$ $55.0$ $1.67$ kyr 7 B0628–28 $1.244$ $7.123$ $6.014$ $32.18$ $34.5$ $1.45$ $2.77$ Myr 8 J0633+1746 $0.237$ $10.97$ $3.258$ $34.51$ – $0.16$ $342$ kyr 9 B0656+14 $0.385$ $55.00$ $9.294$ $34.58$ $14.0$ $0.29$ $111$ kyr 10 J0821–4300 $0.113$ $1.200$ $0.743$ $34.52$ – $2.20$ $3.7$ kyr 11 B0823+26 $0.531$ $1.709$ $1.924$ $32.65$ $19.5$ $0.34$ $4.92$ Myr 12 B0833–45 $0.089$ $125.0$ $6.750$ $36.84$ $68.0$ $0.21$ $11.3$ kyr 13 B0834+06 $1.274$ $6.799$ $5.945$ $32.11$ $12.9$ $0.64$ $2.97$ Myr 14 B0943+10 $1.098$ $3.493$ $3.956$ $32.00$ $15.4$ $0.63$ $4.98$ Myr 15 B0950+08 $0.253$ $0.230$ $0.487$ $32.75$ $2.96$ $0.26$ $17.5$ Myr 16 B1046–58 $0.124$ $96.32$ $6.972$ $36.30$ $129$ $2.70$ $20.3$ kyr 17 B1055–52 $0.197$ $5.833$ $2.166$ $34.48$ $30.1$ $0.75$ $535$ kyr 18 J1105–6107 $0.063$ $15.83$ $2.020$ $36.40$ $271$ $7.00$ $63.3$ kyr 19 J1119–6127 $0.408$ $4022$ $81.80$ $36.36$ $707$ $8.40$ $1.61$ kyr 20 9|r|Continued on next page Table <ref> - continued from previous page Name $P$ $\dot{P}$ $B_{{\rm d}}$ $\log L_{{\rm SD}}$ $DM$ $D$ $\tau$ No. $\left({\rm s}\right)$ $\left(10^{-15}\right)$ $\left(10^{12}\,{\rm G}\right)$ $\left({\rm erg\, s^{-1}}\right)$ $\left({\rm cm^{-3}\, pc}\right)$ $\left({\rm kpc}\right)$ J1124–5916 $0.135$ $747.1$ $20.31$ $37.08$ $330$ $6.00$ $2.87$ kyr 21 B1133+16 $1.188$ $3.734$ $4.254$ $31.94$ $4.86$ $0.36$ $5.04$ Myr 22 J1210–5226 $0.424$ $0.066$ $0.338$ $31.53$ – $2.45$ $102$ Myr 23 B1259–63 $0.048$ $2.276$ $0.666$ $35.91$ $147$ $2.00$ $332$ kyr 24 J1357–6429 $0.166$ $360.2$ $15.62$ $36.49$ $128$ $2.50$ $7.31$ kyr 25 J1420–6048 $0.068$ $83.17$ $4.810$ $37.00$ $360$ $8.00$ $13.0$ kyr 26 B1451–68 $0.263$ $0.098$ $0.325$ $32.32$ $8.60$ $0.48$ $42.5$ Myr 27 J1509–5850 $0.089$ $9.170$ $1.824$ $35.71$ $138$ $2.56$ $154$ kyr 28 B1509–58 $0.151$ $1537$ $30.73$ $37.26$ $252$ $4.18$ $1.55$ kyr 29 J1617–5055 $0.069$ $135.1$ $6.183$ $37.20$ $467$ $6.50$ $8.13$ kyr 30 B1706–44 $0.102$ $92.98$ $6.235$ $36.53$ $75.7$ $2.50$ $17.5$ kyr 31 B1719–37 $0.236$ $10.85$ $3.234$ $34.52$ $99.5$ $1.84$ $345$ kyr 32 J1747–2958 $0.099$ $61.32$ $4.972$ $36.40$ $102$ $5.00$ $25.5$ kyr 33 B1757–24 $0.125$ $127.9$ $8.075$ $36.41$ $289$ $5.00$ $15.5$ kyr 34 B1800–21 $0.134$ $134.1$ $8.551$ $36.34$ $234$ $4.00$ $15.8$ kyr 35 J1809–1917 $0.083$ $25.54$ $2.936$ $36.26$ $197$ $3.50$ $51.3$ kyr 36 J1811–1925 $0.065$ $44.00$ $3.407$ $36.81$ – $5.00$ $23.3$ kyr 37 B1823–13 $0.101$ $75.06$ $5.575$ $36.45$ $231$ $4.00$ $21.4$ kyr 38 J1846–0258 $0.326$ $7083$ $97.02$ $36.91$ – $6.00$ $0.73$ kyr 39 B1853+01 $0.267$ $208.4$ $15.08$ $35.63$ $96.7$ $2.60$ $20.3$ kyr 40 B1916+14 $1.181$ $212.4$ $31.99$ $33.71$ $27.2$ $2.10$ $88.1$ kyr 41 J1930+1852 $0.137$ $750.6$ $20.47$ $37.08$ $308$ $5.00$ $2.89$ kyr 42 B1929+10 $0.227$ $1.157$ $1.034$ $33.59$ $3.18$ $0.36$ $3.10$ Myr 43 B1951+32 $0.040$ $5.845$ $0.971$ $36.57$ $45.0$ $2.00$ $107$ kyr 44 J2021+3651 $0.104$ $95.60$ $6.361$ $36.53$ $371$ $10.0$ $17.2$ kyr 45 J2043+2740 $0.096$ $1.270$ $0.706$ $34.75$ $21.0$ $1.80$ $1.20$ Myr 46 B2224+65 $0.683$ $9.659$ $5.187$ $33.08$ $36.1$ $2.00$ $1.12$ Myr 47 B2334+61 $0.495$ $191.7$ $19.69$ $34.79$ $58.4$ $3.10$ $40.9$ kyr 48 § NONTHERMAL X-RAY RADIATION The nonthermal emission, which is generally observed from radio to $\gamma$-ray frequencies, should be generated by charged particles accelerated at the expense of rotational energy in the magnetosphere of the neutron star. Nonthermal X-ray radiation is characterised by highly anisotropic emission patterns, which give rise to large pulsed fractions. The pulse profiles often show narrow (often double) peaks, however, in many cases nearly sinusoidal profiles are observed. As the X-ray efficiency is strongly correlated with $L_{{\rm SD}}$, the most X-ray luminous sources (among rotationally powered pulsars) are the Crab pulsar and two young pulsars in the Large Magellanic Cloud, which are the only pulsars with $L_{{\rm SD}}>10^{38}\,{\rm erg\, s^{-1}}$ 18 suggested that in the $0.1\lyxmathsym{–}2.4\,{\rm keV}$ band ROSAT sources that are identified as rotation-powered pulsars exhibit an X-ray efficiency which can be approximated as a linear function $L_{{\rm X}}=\xi L_{{\rm SD}}$, where the total X-ray $\xi=\xi_{_{{\rm BB}}}+\xi_{_{{\rm NT}}}\approx10^{-3}$, here $\xi_{_{{\rm BB}}}$ and $\xi_{_{{\rm NT}}}$ are efficiencies of the thermal (without the cooling component) and nonthermal X-ray emission, respectively. The higher sensitivity of both the Chandra and XMM-Newton allows detection of less efficient ($\xi<10^{-3}$) X-ray pulsars (see Figure <ref>). 15 suggested that for these faint pulsars the orientation of the magnetic/rotation axes to the observer's line of sight might not be optimal. We believe that the efficiency of spin-down energy conversion processes is mostly affected by the strength and structure of the surface magnetic field. The variation of $\xi$ is rather due to the nature of physical processes than the geometrical effects. Let us note that the nonthermal X-ray luminosities presented in Figure <ref> are calculated assuming an isotropic radiation pattern. In general, the X-ray emission pattern differs quite essentially from the isotropic one. Thus, one should introduce a beaming factor as the ratio of the opening angle of the radiation cone to the full solid angle $4\pi$. Since a beaming factor is generally unknown, the actual X-ray efficiency may differ by up to an order of magnitude (or even more) than we have presented. http://localhost:9090/pulsars/graphs/ (generate data, ~/Html/pulsar/media/images/xray_sd.dat) cp ~/Html/pulsar/media/images/xray_sd.dat ~/Programs/studies/phd/xray_sd/. cp ~/Programs/studies/phd/xray_sd/x_ray.svg ~/Documents/studies/phd/images/x-ray/. [Nonthermal luminosity within the $0.1-10\,{\rm keV}$ band vs spin-down luminosity]Nonthermal luminosity within the $0.1-10\,{\rm keV}$ band ($L_{{\rm NT}}$) vs spin-down luminosity ($L_{{\rm SD}}$). The black solid line corresponds to the linear fitting for all pulsars, while the blue dotted and red dashed lines correspond to the linear fit for less luminous ($L_{{\rm SD}}<10^{35}\,{\rm erg\, s^{-1}}$) and more luminous ($L_{{\rm SD}}>10^{35}\,{\rm erg\, s^{-1}}$) pulsars, Various fitting parameters and efficiencies of nonthermal X-ray radiation suggest that the efficiency of processes responsible for the generation of nonthermal X-ray radiation should highly depend on the pulsar parameters (see Figure <ref>). The fitting parameters for the data of all pulsars show a linear trend with $\xi\approx10^{-3}$, however, if we divide them into two groups of less and more luminous pulsars, we can see that the fitting parameters for these two groups differ from one another. The efficiency of less luminous X-ray pulsars depends on $L_{{\rm SD}}$ to a lesser extent than is the case for more luminous As we mentioned in the Introduction, there are two main types of models: the polar cap models and the outer gap models. The outer gap model was proposed to explain the bright $\gamma$-ray emission from the Crab and Vela pulsars [36, 37]. Placing a $\gamma$-ray emission zone at the light cylinder, where the magnetic field strength is considerably reduced to $B_{{\rm LC}}=B_{{\rm d}}\left(R/R_{{\rm LC}}\right)^{3}$, provides higher $\gamma$-ray emissivities that are in somewhat better agreement with the observations. The observational data can be interpreted with any of the two models, although under completely different assumptions about pulsar parameters. §.§ Observations Generally, the X-ray spectrum of relatively young ($\tau<10\,{\rm kyr}$) and middle-aged ($\tau<10\,{\rm kyr}$) pulsars is dominated by the nonthermal component. However, it is not possible to find an exact correlation between $\tau$ and the type of spectra, i.e. which component, thermal or nonthermal, dominates the spectrum (see the left panel of Figure <ref>). As we mentioned above, it is quite often impossible to resolve the components. The Crab pulsar ($\tau=958\,{\rm yrs}$) is the most characteristic example of a young pulsar. The upper limit for X-ray luminosity of the Crab pulsar (one of the strongest known X-ray radio pulsars) is about $L_{{\rm NT}}^{{\rm ^{max}}}=8.9\times10^{35}\,{\rm erg\, s^{-1}}$. This value is calculated assuming an isotropic radiation pattern, however, even if we assume an angular anisotropy of the radiation (beaming factor $\approx1/4\pi$), the lower limit of its luminosity $L_{{\rm NT}}^{^{{\rm min}}}=7.1\times10^{34}\,{\rm erg\, s^{-1}}$ continues to be very high. The luminosities calculated above correspond to the following X-ray efficiencies: ${\displaystyle \xi_{_{{\rm NT}}}^{^{{\rm max}}}=10^{-2.71}}$ (isotropic radiation pattern) and $\xi_{_{{\rm NT}}}^{{\rm ^{min}}}=10^{-3.81}$ (anisotropic radiation pattern). Although ${\displaystyle \xi_{_{{\rm NT}}}}$ is quite small, the nonthermal component still obscures all the thermal ones. To obtain a similar efficiency of the thermal radiation from the entire stellar surface, its temperature should be $T_{{\rm s}}=5.9\times10^{6}\,{\rm K}$ (assuming $R=10\,{\rm km}$), which vastly exceeds the upper limit ($T_{{\rm s}}<2.3\times10^{6}\,{\rm K}$). Furthermore, the temperature of the polar caps should be about $2.5\times10^{7}\,{\rm K}$ to obtain a comparable luminosity. The Vela-like pulsars compose another characteristic group of pulsars. This group consists of pulsars with high spin-down luminosities but considerably low X-ray efficiencies $\xi_{_{{\rm NT}}}\apprle10^{-4}$. A characteristic age of the Vela is about $1.1\times10^{4}\,{\rm yrs}$ ($10$ times older than the Crab), but it can still be classified as a very young pulsar. The nonthermal luminosity of a Vela pulsar is $L_{{\rm NT}}^{^{{\rm max}}}=4.2\times10^{32}$ and efficiency $\xi_{_{{\rm NT}}}^{^{{\rm max}}}=10^{-4.22}$. Some of the Vela-like pulsars (like the Vela itself) also exhibit a thermal component, which in some cases can be comparable to the nonthermal component. The thermal efficiency of the Vela $\xi_{_{{\rm BB}}}=10^{-4.72}$ is quite similar to $\xi_{_{{\rm NT}}}^{^{{\rm max}}}=10^{-4.22}$, but if we assume an anisotropic radiation pattern of the nonthermal component than $\xi_{_{{\rm NT}}}^{^{{\rm min}}}=10^{-5.32}$, thus even less than $\xi_{_{{\rm BB}}}$. The third group includes pulsars with low spin-down luminosity $L_{{\rm SD}}\apprle10^{35}$. In most cases, the X-ray spectra of such pulsars (e.g. PSR 9050+08, PSR B1929+10) have both thermal and nonthermal components, with similar efficiencies. Thus, the spectrum fitting procedure is more complicated. The nonthermal X-ray efficiencies of these pulsars, $\xi_{_{{\rm NT}}}\sim10^{-3}$, are considerably higher than those of the Vela-like pulsars. Note that even when the observed spectra are dominated by nonthermal radiation, we cannot rule out a situation that the thermal component is stronger than the nonthermal one, but due to unfavourable geometry we cannot observe it. Even with the improved quality of X-ray observations performed by both the Chandra and XMM-Newton, the available data do not allow us to fully discriminate between the different emission scenarios. However, these data can be used to verify whether the proposed model of X-ray emission meets all the requirements. Table <ref> presents the observed spectral properties of pulsars showing nonthermal http://127.0.0.1:9090/pulsars/table_pl/ (then rename citet to citetalias after lyx import of ~/Html/pulsar/download/data/table_pl.tex) fancy [Observed X-ray spectral properties of rotation-powered pulsars [nonthermal]]Observed spectral properties of rotation-powered pulsars with X-ray spectrum showing the nonthermal (power-law) component. The individual columns are as follows: (1) Pulsar name, (2) Additional information, (3) Spectral components required to fit the observed spectra, PL: power law, BB: blackbody, (4) Pulse phase average photon index, (5) Maximum nonthermal luminosity $L_{{\rm NT}}$, (6) Maximum nonthermal X-ray efficiency $\xi_{_{{\rm NT}}}^{^{{\rm max}}}$, (7) Minimum nonthermal X-ray efficiency $\xi_{_{{\rm NT}}}^{{\rm ^{min}}}$, (8) Total thermal luminosity $L_{{\rm BB}}$, (9) Thermal efficiency $\xi_{_{{\rm BB}}}$, (10) References, (11) Number of the pulsar. Both nonthermal luminosities and efficiencies were calculated in the $0.1-10\,{\rm keV}$ band. The maximum value was calculated with the assumption that the X-ray radiation is isotropic while the minimum value was calculated assuming strong angular anisotropy of the radiation ($\xi_{_{{\rm NT}}}^{{\rm ^{min}}}\approx1/\left(4\pi\right)\cdot\xi_{_{{\rm NT}}}^{{\rm ^{max}}}$). Pulsars are sorted by nonthermal X-ray luminosity (5). Name Comment Spectrum Photon-Index $\log L_{{\rm NT}}$ $\log\xi_{_{{\rm NT}}}^{{\rm ^{max}}}$ $\log\xi_{_{{\rm NT}}}^{^{{\rm min}}}$ $\log L_{{\rm BB}}$ $\log\xi_{_{{\rm BB}}}$ Ref. No. $\left({\rm erg\, s^{-1}}\right)$ $\left({\rm erg\, s^{-1}}\right)$ B0540–69 N158A, LMC PL $1.92_{-0.11}^{+0.11}$ $36.90$ $-1.27$ $-2.37$ – – [99], [30] 7 B0531+21 Crab PL $1.63_{-0.07}^{+0.07}$ $35.95$ $-2.71$ $-3.81$ – – [15] 4 J0537–6910 N157B, LMC PL $1.80_{-0.10}^{+0.10}$ $35.95$ $-2.74$ $-3.84$ – – [131] 5 B1509–58 Crab-like pulsar PL $1.19_{-0.04}^{+0.04}$ $35.24$ $-2.00$ $-3.10$ – – [43], [49], [15] 29 J1846–0258 Kes 75 BB + PL $1.90_{-0.10}^{+0.10}$ $35.13$ $-1.78$ $-2.88$ $34.06$ $-2.85$ [136], [85] 39 J1420–6048 PL $1.60_{-0.40}^{+0.40}$ $34.77$ $-2.25$ $-3.35$ – – [152] 26 J2021+3651 PL, BB $1.70_{-0.20}^{+0.30}$ $34.36$ $-2.17$ $-3.27$ $33.78$ $-2.75$ [177],[89] 45 J1617–5055 Crab-like pulsar PL $1.14_{-0.06}^{+0.06}$ $34.25$ $-2.95$ $-4.05$ – – [103], [16] 30 J1747–2958 Mouse PL, BB $1.80_{-0.08}^{+0.08}$ $34.09$ $-2.31$ $-3.41$ – – [57] 33 J1811–1925 G11.2-0.3 PL $0.97_{-0.32}^{+0.39}$ $33.97$ $-2.84$ $-3.94$ – – [153], [151] 37 J1930+1852 Crab-like pulsar PL $1.20_{-0.20}^{+0.20}$ $33.92$ $-3.15$ $-4.25$ – – [114], [29] 42 11|r|Continued on next page Table <ref> - continued from previous Name Comment Spectrum Photon-Index $\log L_{{\rm NT}}$ $\log\xi_{_{{\rm NT}}}^{^{max}}$ $\log\xi_{_{{\rm NT}}}^{^{min}}$ $\log L_{{\rm BB}}$ $\log\xi_{_{{\rm BB}}}$ Ref. No. $\left({\rm erg\, s^{-1}}\right)$ $\left({\rm erg\, s^{-1}}\right)$ J1105–6107 PL $1.80_{-0.40}^{+0.40}$ $33.91$ $-2.48$ $-3.58$ – – [76] 19 B1757–24 Duck PL $1.60_{-0.50}^{+0.60}$ $33.46$ $-2.95$ $-4.05$ – – [105] 34 B1951+32 CTB 80 BB + PL $1.63_{-0.05}^{+0.03}$ $33.22$ $-3.35$ $-4.45$ $31.95$ $-4.62$ [113] 44 J0205+6449 3C58 BB + PL $1.78_{-0.04}^{+0.02}$ $33.10$ $-4.33$ $-5.43$ $33.60$ $-3.83$ [162] 2 J1119–6127 G292.2-0.5 BB + PL $1.50_{-0.20}^{+0.30}$ $32.95$ $-3.42$ $-4.51$ $33.37$ $-3.00$ [73], [135] 20 J1124–5916 Vela-like pulsar PL $1.60_{-0.10}^{+0.10}$ $32.91$ $-4.17$ $-5.27$ – – [92],[72] 21 B1259–63 Be-star bin PL $1.69_{-0.04}^{+0.04}$ $32.87$ $-3.05$ $-4.15$ – – [39], [40] 24 B0833–45 Vela BB + PL $2.70_{-0.40}^{+0.40}$ $32.62$ $-4.22$ $-5.32$ $32.12$ $-4.72$ [186] 13 B1706–44 G343.1-02.3 BB + PL $2.00_{-0.50}^{+0.50}$ $32.16$ $-4.37$ $-5.47$ $32.78$ $-3.76$ [75] 31 J1357–6429 BB + PL $1.30_{-0.20}^{+0.20}$ $32.15$ $-4.35$ $-5.44$ $32.50$ $-3.99$ [185] 25 B1853+01 W44 PL $1.28_{-0.48}^{+0.48}$ $32.07$ $-3.57$ $-4.66$ – – [146] 40 B1046–58 Vela-like pulsar PL $1.70_{-0.20}^{+0.40}$ $32.04$ $-4.26$ $-5.36$ – – [74] 17 B1916+14 BB, PL $3.50_{-0.70}^{+1.60}$ $32.00$ $-1.71$ $-2.81$ $31.07$ $-2.63$ [194] 41 J1509–5850 MSH 15-52 PL $1.00_{-0.30}^{+0.20}$ $31.80$ $-3.92$ $-5.02$ – – [93] 28 B1823–13 Vela-like BB + PL $1.70_{-0.70}^{+0.70}$ $31.78$ $-4.67$ $-5.77$ $32.19$ $-4.27$ [142] 38 B1800–21 Vela-like pulsar PL + BB $1.40_{-0.60}^{+0.60}$ $31.60$ $-4.74$ $-5.84$ – – [101] 35 11|r|Continued on next page Table <ref> - continued from previous Name Comment Spectrum Photon-Index $\log L_{{\rm NT}}$ $\log\xi_{_{{\rm NT}}}^{^{max}}$ $\log\xi_{_{{\rm NT}}}^{^{min}}$ $\log L_{{\rm BB}}$ $\log\xi_{_{{\rm BB}}}$ Ref. No. $\left({\rm erg\, s^{-1}}\right)$ $\left({\rm erg\, s^{-1}}\right)$ J1809–1917 BB + PL $1.23_{-0.62}^{+0.62}$ $31.57$ $-4.68$ $-5.78$ $31.69$ $-4.56$ [101] 36 B2334+61 BB + PL $2.20_{-1.40}^{+3.00}$ $31.55$ $-3.24$ $-4.34$ $32.06$ $-2.73$ [120] 48 J2043+2740 BB + PL $2.80_{-0.80}^{+1.00}$ $31.41$ $-3.34$ $-4.44$ $30.77$ $-3.98$ [19] 46 B2224+65 Guitar PL, BB $2.20_{-0.30}^{+0.20}$ $31.21$ $-1.87$ $-2.97$ $30.51$ $-2.57$ [95], [94] 47 B0355+54 BB + PL $1.00_{-0.20}^{+0.20}$ $30.92$ $-3.73$ $-4.83$ $30.40$ $-4.25$ [119],[161] 3 B1055–52 BB+BB+PL $1.70_{-0.10}^{+0.10}$ $30.91$ $-3.57$ $-4.67$ $32.63$ $-1.85$ [48] 18 B0656+14 BB+BB+PL $2.10_{-0.30}^{+0.30}$ $30.26$ $-4.33$ $-5.42$ $32.77$ $-1.81$ [48] 10 J0633+1746 Geminga BB+BB+PL $1.68_{-0.06}^{+0.06}$ $30.24$ $-4.27$ $-5.37$ $31.67$ $-2.84$ [97] 9 B1929+10 BB + PL $1.73_{-0.66}^{+0.46}$ $30.23$ $-3.36$ $-4.46$ $30.06$ $-3.53$ [132] 43 B0628–28 BB + PL $2.98_{-0.65}^{+0.91}$ $30.22$ $-1.94$ $-3.04$ $30.22$ $-1.94$ [169] , [17] 8 B0950+08 BB + PL $1.31_{-0.14}^{+0.14}$ $29.99$ $-2.76$ $-3.86$ $28.92$ $-3.82$ [187] 16 B1451–68 BB + PL $1.40_{-0.50}^{+0.50}$ $29.77$ $-2.56$ $-3.66$ $29.27$ $-3.06$ [147] 27 B1133+16 BB, PL $2.51_{-0.33}^{+0.36}$ $29.52$ $-2.42$ $-3.52$ $28.56$ $-3.38$ [102] 22 B0823+26 PL $1.58_{-0.33}^{+0.43}$ $29.42$ $-3.23$ $-4.33$ – – [19] 12 B0943+10 Chameleon BB, PL $2.60_{-0.50}^{+0.70}$ $29.38$ $-2.64$ $-3.74$ $28.40$ $-3.62$ [191],[102] 15 B0834+06 BB + PL – $28.70$ $-3.41$ $-4.51$ $28.70$ $-3.41$ [61] 14 J0108–1431 BB + PL $3.10_{-0.20}^{+0.50}$ $28.57$ $-2.19$ $-3.29$ $27.94$ $-2.82$ [147], [143] 1 § THERMAL X-RAY RADIATION §.§ Modelling of thermal radiation from a neutron star Thermal X-ray emission seems to be quite a common feature of radio pulsars. The blackbody fit to the observed thermal spectrum of a neutron star allows us to obtain the redshifted effective temperature $T^{\infty}$ and redshifted total bolometric flux $F^{\infty}$ (measured by a distant observer). To estimate the actual (unredshifted) parameters, one should take into account the gravitational redshift, $g_{{\rm r}}=\sqrt{1-2GM/Rc^{2}}$, determined by the neutron star mass $M$ and radius $R$, here $G$ is the gravitational constant. Then the actual effective temperature and actual total bolometric flux can be written as: \begin{equation} \begin{split}T & =g_{{\rm r}}^{-1}T^{\infty},\\ F & =g_{{\rm r}}^{-2}F^{\infty}. \end{split} \label{eq:x-ray.infty_eff} \end{equation} Knowing the distance to the neutron star, $D$, we can use the effective temperature and total bolometric flux to calculate the size of the radiating region. If we assume that the radiation is isotropic (same in all directions, e.g. radiation from the entire stellar surface) then the radius of the radiating sphere (star) can be calculated as [185] \begin{equation} R_{\perp}^{\infty}=D\sqrt{\frac{F^{\infty}}{\sigma T^{\infty4}}}=g_{{\rm r}}^{-1}R_{\perp},\label{eq:x-ray.r_infty} \end{equation} where $\sigma\approx5.6704\times10^{-5}{\rm \, erg\, cm^{-2}\, s^{-1}\, K^{-4}}$ is the Stefan-Boltzmann constant. Knowing that $L_{{\rm BB}}=4\pi D^{2}F$ and using Equations <ref> and <ref>, we can write that \begin{equation} L_{{\rm BB}}=g_{{\rm r}}^{-2}L_{{\rm BB}}^{\infty}. \end{equation} The modelling of thermal radiation is more complicated if we assume that it comes from the hot spot on the stellar surface. One should take into account such factors as: time-averaged cosine of the angle between the magnetic axis and the line of sight $\left<\cos i\right>$, gravitational bending of light, as well as whether the radiation comes from two opposite poles of the star or from one hot spot only. In general, the observed luminosity of the hot spot can be written as: \begin{equation} L_{{\rm hs}}^{\infty}=A_{{\rm hs}}^{\infty}\sigma T^{\infty4},\label{x-ray.lbol_spot} \end{equation} where $A_{{\rm hs}}^{\infty}=\pi R_{{\rm hs}}^{\infty2}$ is the observed area of the radiating region. The observed area of the radiating spot is also influenced by the geometrical factor $f$. This geometrical factor depends on following angles: $\zeta$ between the line of sight and the spin axis, and $\alpha$ between the spin and magnetic axes, as well as on $g_{{\rm r}}$ and whether the radiation comes from the star's two opposite poles or from a single hot spot only: \begin{equation} \begin{split}A_{{\rm hs}}^{\infty} & =g_{{\rm r}}^{-2}fA_{{\rm hs}},\\ R_{{\rm hs}} & =g_{{\rm r}}f^{-1/2}R_{{\rm hs}}^{\infty}. \end{split} \label{x-ray.infty_eff2} \end{equation} Finally, the hot spot luminosity can be calculated as \begin{equation} L_{{\rm hs}}=g_{{\rm r}}^{-2}f^{-1}L_{{\rm hs}}^{\infty}.\label{x-ray.lbol_spot-1} \end{equation} The luminosity of a radiating sphere with radius $R_{\perp}$ can be calculated as $L_{{\rm sp}}=4A_{\perp}\sigma T^{4}=4\pi R_{\perp}^{2}\sigma T^{4}$. On the other hand, if we assume that the radiation originates only from one hot spot we can calculate the luminosity as $L_{{\rm hs}}=A_{{\rm hs}}\sigma T^{4}$. If the hot spot size is small compared to the star radius ($R_{{\rm hs}}\ll R$) then the area of the spot can be calculated as $A_{{\rm hs}}\approx\pi R_{\perp}^{2}$. Thus, we have to remember that the luminosity calculated assuming a spherical source will be four times higher than the actual luminosity of a radiating hot spot $L_{{\rm hs}}=1/4\cdot L_{{\rm sp}}$ (see the next section for details). §.§ Thermal radiation of hot spots [Coordinate system co-rotating with a star]Coordinate system co-rotating with a star. The system was chosen so that the z-axis is along ${\bf \Omega}$ (the angular velocity) and ${\bf o}$ lies in the x-z plane (fiducial plane, i.e. at longitude zero). Here, $\boldsymbol{\hat{\mu}}$ is a unit vector in the direction of the magnetic axis and $\alpha$ is the angle between ${\bf \Omega}$ and $\boldsymbol{\hat{\mu}}$, $\beta$ is the impact parameter. Let us consider a neutron star with two antipodal hot spots associated with polar caps of a stellar magnetic field. For simplicity's sake we assume that the spot size is small compared to the star radius $R$. If the magnetic axis $\boldsymbol{\hat{\mu}}$ is inclined to the spin axis by an angle $\alpha\leq90^{\circ}$, the spots periodically change their position and inclination with respect to a distant observer. To compute the radiation fluxes from the primary (closer to the observer) as well as the antipodal spot, we need to know their inclinations: $\cos i_{1}={\bf n\cdot o}$ and $\cos i_{2}={\bf \bar{n}\cdot o}=-\cos i_{1}$, where ${\bf n}$ and ${\bf \bar{n}}=-{\bf n}$ are normal vectors to spots surfaces, and ${\bf o}$ is the unit vector pointing toward the observer. In the calculations we use a coordinate system co-rotating with a star. The z-axis is along ${\bf \Omega}$ (the angular velocity) and ${\bf o}$ lies in the x-z plane (see Figure <ref>). In the chosen coordinate system we can write that the spherical coordinates of vectors have the following components: \begin{equation} \begin{array}{ccc} {\bf \Omega} & = & \left(\Omega,\,0,\,0\right);\\ {\bf o} & = & \left(1,\,\alpha+\beta,\,0\right);\\ \boldsymbol{\hat{\mu}} & = & \left(1,\,\alpha,\,\Omega t\right). \end{array} \end{equation} Here the impact parameter $\beta$ represents the closest approach of the line of sight to the magnetic axis. Note that $\boldsymbol{\hat{\mu}}={\bf n}$ and ${\bf \bar{{\bf n}}}=-\boldsymbol{\hat{\mu}}$; thus, we can write the following components of Cartesian coordinates: \begin{equation} \begin{array}{ccc} {\bf {\bf o}} & = & \left(\sin\left(\alpha+\beta\right),\,0,\,\cos\left(\alpha+\beta\right)\right);\\ {\bf n} & = & \left(\sin\alpha\cos\Omega t,\,\sin\Omega t\sin\alpha,\,\cos\alpha\right). \end{array} \end{equation} $\left(\sin\left(\pi-\alpha\right)\cos\left(\pi+\Omega t\right),\,\sin\left(\pi+\Omega t\right)\cdot\sin\left(\pi-\alpha\right),\,\cos\left(\pi-\alpha\right)\right)=\left(-\sin\alpha\cos\Omega t,\,-\sin\Omega t\cdot\sin\alpha,\,-\cos\alpha\right)$ Finally, the inclination angle for both primary and antipodal hot spots can be calculated as \begin{equation} \begin{array}{ccc} \cos i_{1} & = & \sin\alpha\cdot\cos\Omega t\cdot\sin\left(\alpha+\beta\right)+\cos\alpha\cdot\cos\left(\alpha+\beta\right);\\ \cos i_{2} & = & -\cos i_{1}=-\sin\alpha\cdot\cos\Omega t\cdot\sin\left(\alpha+\beta\right)-\cos\alpha\cdot\cos\left(\alpha+\beta\right). \end{array} \end{equation} We can estimate the contributions of the primary and antipodal spots to the observed X-ray flux by calculating the time-averaged cosine of the angle between the magnetic axis and the line of sight. Note that we should take into account only positive values of $\cos i$ since for larger angles ($i>90^{\circ}$) the spot is not visible (at least in this approximation, see Section <ref> for more details). Thus, the contribution of the primary spot can be calculated as follows: \begin{equation} \begin{array}{c} \left\langle \cos i_{1}\right\rangle =\begin{cases} \begin{split}\int_{0}^{P}\cos\left(i_{1}\right){\rm d}t\end{split} & {\rm if}\ \frac{1}{\tan\alpha\tan\left(\alpha+\beta\right)}<-1\ {\rm or}\ \frac{1}{\tan\alpha\tan\left(\alpha+\beta\right)}>1,\\ \begin{split}\int_{0}^{t_{-}}\cos\left(i_{1}\right){\rm d}t\end{split} +\begin{split}\int_{t_{+}}^{2\pi}\cos\left(i_{1}\right){\rm d}t\end{split} & {\rm if}\ -1<\frac{1}{\tan\alpha\tan\left(\alpha+\beta\right)}<1, \end{cases}\end{array} \end{equation} where integration limits are \begin{equation} \end{equation} On the other hand, the contribution of the antipodal spot can be calculated \begin{equation} \begin{array}{c} \left\langle \cos i_{2}\right\rangle =\begin{cases} \begin{split}0\end{split} & {\rm if}\ \frac{1}{\tan\alpha\tan\left(\alpha+\beta\right)}<-1\ {\rm or}\ \frac{1}{\tan\alpha\tan\left(\alpha+\beta\right)}>1,\\ \begin{split}\int_{t_{-}}^{t_{+}}\cos\left(i_{2}\right){\rm d}t\end{split} & {\rm if}\ -1<\frac{1}{\tan\alpha\tan\left(\alpha+\beta\right)}<1. \end{cases}\end{array} \end{equation} Depending on the orientation of ${\bf \Omega}$, ${\bf o}$ and $\boldsymbol{\hat{\mu}}$, the thermal radiation may originate from: (1) both the primary and antipodal hot spots (see Figure <ref>); (2) mainly the primary spot but with a small contribution from the antipodal spot (see Figure <ref>); (3) the primary spot only (see Figure <ref>). ~/Programs/studies/phd/hot_spots/hot_spots.pu (dim 14x8.7 cm) [Cosine of the hot spots' inclination angle [PSR B0950+08]]Cosine of the hot spots' inclination angle as a function of the pulsar phase for PSR B0950+08. The following parameters were used: $\alpha=105.46^{\circ}$, $\beta=21.1^{\circ}$. For this geometry the thermal radiation of both primary and antipodal spots has a significant influence on the observed thermal flux. [Cosine of the hot spots' inclination angle [PSR B1929+10]]Cosine of the hot spots' inclination angle as a function of the pulsar phase for PSR B1929+10. The following parameters were used: $\alpha=35.97$, $\beta=25.55$. For this geometry there is only a small contribution from the antipodal spot. [Cosine of the hot spots' inclination angle [PSR B0943+10]]Cosine of the hot spots' inclination angle as a function of the pulsar phase for PSR B0943+10. The following parameters were used: $\alpha=11.58^{\circ}$, $\beta=-4.29^{\circ}$. For this geometry only the primary hot spot is visible. §.§ Gravitational bending of light near stellar surface The radius of a neutron star is only a few times larger than the Schwarzschild radius. The approach presented in the previous section does not include the gravitational bending effect, which is very strong in neutron stars. A strong gravitational field just above the stellar surface causes the bending of light. A photon emitted near a neutron star surface at an angle $\delta$ with respect to the radial direction escapes to infinity at a different angle $\delta^{\prime}>\delta$. As a consequence, even when the spot inclination angle to the line of sight is $i\gtrsim90^{\circ}$ we can still observe thermal radiation from this spot. For a Schwarzschild metric we can calculate an observed flux fraction from the primary $f_{1}=F_{1}/F_{0}$ and antipodal $f_{2}=F_{2}/F_{0}$ spots. Here $F_{0}$ is the maximum possible flux that is observed when the primary spot is viewed face-on. The primary and antipodal fluxes are given by [21] \begin{equation} \begin{array}{ccc} f_{1} & = & \cos\left(i\right)\left(1-\frac{r_{{\rm g}}}{R}\right)+\frac{r_{{\rm g}}}{R},\\ f_{2} & = & -\cos\left(i\right)\left(1-\frac{r_{{\rm g}}}{R}\right)+\frac{r_{{\rm g}}}{R}, \end{array} \end{equation} here $r_{{\rm g}}=2GM/c^{2}$ is the Schwarzschild radius. The primary spot is visible when $\cos i_{1}>-r_{{\rm g}}/\left(R-r_{{\rm g}}\right)$ and the antipodal spot when $\cos i_{2}>-r_{{\rm g}}/\left(R-r_{{\rm g}}\right)$. Consequently, both spots are seen when $-r_{{\rm g}}/\left(R-r_{{\rm g}}\right)<\cos i<r_{{\rm g}}/\left(R-r_{{\rm g}}\right)$, and then the observed flux fraction is \begin{equation} f_{{\rm min}}=f_{1}+f_{2}=\frac{2r_{{\rm g}}}{R}. \end{equation} Hence, the blackbody pulse of primary and antipodal spots must display a plateau whenever both spots are in sight. Depending on the geometry of a pulsar we can distinguish four classes [21]. Class I: when the antipodal spot is never seen and the primary spot is visible all the time (see the bottom right panel of Figure <ref>). For such pulsars the blackbody pulse has a perfect sinusoidal shape. Class II: when the primary spot is seen all the time and the antipodal spot is also in the visible zone for some time (see panels a, b and c of Figure <ref>). For these pulsars the sinusoidal pulse shape is interrupted by the plateau. Class III: the primary spot is not visible for a fraction of the period and during this time only the antipodal spot is seen. The primary sinusoidal profile of such pulsars is interrupted by the plateau, and the plateau is interrupted by a weaker sinusoidal subpulse from the antipodal spot. Class IV: both spots are seen at any time. The observed blackbody flux of such pulsars is constant. The gravitational bending of light can significantly increase the visibility of a pulsar (i.e. the observed flux, compare Figures <ref> and <ref>). For some specific geometry the gravitational effects can also drastically change primary to the antipodal flux ratio (compare Figures <ref> and <ref>). Our calculations show that for canonical values $M=1.4\,{\rm M}_{\odot}$ and $R=10\,{\rm km}$ the gravitational effect is quite strong and the observed flux fraction is in the range of $0.85-1$, while the geometric approach results in the $0.43-1$ range (see Table <ref>). [Viewing geometry of pulsars]Viewing geometry of pulsars. The individual columns are as follows: (1) Pulsar name, (2) Inclination angle with respect to the rotation axis $\alpha$, (3) Opening angle $\rho$, (4) Impact parameter $\beta$, (5) Total flux correction factor (including gravitational bending of light) $\left\langle f\right\rangle $ , (6) Flux correction factor of the primary spot $\left\langle f_{1}\right\rangle $, (7) Flux correction factor of the antipodal spot $\left\langle f_{2}\right\rangle $, (8, 9, 10) Time-averaged cosine of the angle between the magnetic axis and the line of sight: $\left<\cos i\right>$ (the total value), $\left<\cos i_{1}\right>$(the primary spot), $\left<\cos i_{2}\right>$ (the antipodal spot), (10) Number of the pulsar. The gravitational bending effect was calculated using $M=1.4\,{\rm M}_{\odot}$ and $R=10\,{\rm km}$. Name $\alpha$ $\beta$ $\rho$ $\left\langle f\right\rangle $ $\left\langle f_{1}\right\rangle $ $\left\langle f_{2}\right\rangle $ $\left<\cos i\right>$ $\left<\cos i_{1}\right>$ $\left<\cos i_{2}\right>$ No. $\left({\rm deg}\right)$ $\left({\rm deg}\right)$ $\left({\rm deg}\right)$ B0628–28 $70.0$ $-12.0$ $19.6$ $0.86$ $0.52$ $0.34$ $0.52$ $0.35$ $0.17$ 8 B0834+06 $60.7$ $4.5$ $7.1$ $0.86$ $0.53$ $0.32$ $0.52$ $0.36$ $0.16$ 14 B0943+10 $11.6$ $-4.3$ $4.5$ $0.98$ $0.98$ $0.00$ $0.97$ $0.97$ $0.00$ 15 B0950+08 $105.4$ $22.1$ $25.6$ $0.85$ $0.51$ $0.34$ $0.50$ $0.33$ $0.17$ 16 B1133+16 $52.5$ $4.5$ $8.1$ $0.86$ $0.61$ $0.25$ $0.48$ $0.40$ $0.07$ 22 B1451–68 $37.0$ $-6.0$ – $0.88$ $0.81$ $0.06$ $0.68$ $0.68$ $0.00$ 27 B1929+10 $36.0$ $25.6$ $26.8$ $0.85$ $0.64$ $0.21$ $0.43$ $0.41$ $0.02$ 43 [Comparison of the observed flux fractions for geometric effect only and for geometric effect with the inclusion of a gravitational bending of light]Comparison of the observed flux fraction for geometric effect only (blue dotted line) and for geometric effect with the inclusion of a gravitational bending of light (red solid line). Individual panels correspond to the following pulsars: (a) PSR B1133+16, (b) PSR B1929+10, (c) PSR B0834+06 (d) PSR B0943+10. Parameters used in the calculations are presented in Table <ref>. [Observed flux fraction as a function of the rotation phase [PSR B0950+08]]Observed flux fraction $f$ as a function of the rotation phase for PSR B0950+08. The following parameters were used: $\alpha=105.46^{\circ}$, $\beta=21.1^{\circ}$, $M=1.4\,{\rm M}_{\odot}$, $R=10\,{\rm km}$. The gravitational bending of light increases the flux ratio of the antipodal to primary spots almost two times ($0.85/0.5=1.7$) and also increases the antipodal to the primary flux ratio ($\sim1.3$). [Observed flux fraction as a function of the rotation phase [PSR B1929+10]]Observed flux fraction $f$ as a function of the rotation phase for PSR B1929+10. The following parameters were used: $\alpha=35.97$, $\beta=25.55^{\circ}$, $M=1.4\,{\rm M}_{\odot}$, $R=10\,{\rm km}$. The gravitational bending of light increases the observed flux fraction two times ($\left\langle f\right\rangle /\left\langle \cos i\right\rangle =1.98$) and also increases the flux ratio of the antipodal to primary spots almost seven times ($\sim6.7$). §.§ Observations As we have shown in the previous sections, the blackbody fit to the X-ray observations allows us to directly obtain the surface temperature $T_{{\rm s}}$. Using the distance to pulsar $D$ and the luminosity of thermal emission $L_{{\rm BB}}$ we can estimate the area of spot $A_{{\rm bb}}$. In most cases, $A_{{\rm bb}}$ differs from the conventional polar cap area $A_{{\rm dp}}\approx6.2\times10^{4}P^{-1}\,{\rm m^{2}}$. We use parameter $b=A_{{\rm dp}}/A_{{\rm bb}}$ to describe the difference between $A_{{\rm dp}}$ and $A_{{\rm bb}}$. §.§.§ Entire surface radiation and warm spot component (b<1) In most cases the observed spot area $A_{{\rm bb}}$ is larger than the conventional polar cap area (see Table <ref>). We can distinguish two types of pulsars in this group, with $b\ll1$ and $b\lesssim1$. The first type is associated with observations of a thermal emission from the entire stellar surface and can be used to test cooling models. Although the entire surface radiation is strongest for young pulsars ($\tau\lesssim10$ kyr ), observation of this radiation is very difficult due to the strong nonthermal component. A common practice is to separately fit the nonthermal (PL) and thermal (BB) components. However, the temperature obtained in such a BB fit (without the PL component) is most likely overestimated (e.g. see PSR J2021+3651 in Table <ref>). The nonthermal luminosity of an aging neutron star decreases proportionally to its spin-down luminosity $L_{{\rm SD}}$, which is thought to drop with the star age as $L_{{\rm SD}}\propto\tau^{-m}$, where $m\simeq2-4$ depends on the pulsar dipole breaking index [186]. As a pulsar becomes older, its surface temperature decreases. Depending on the model, a predicted temperature decrease in the early stages is gradual (the standard model) or rapid (the accelerated cooling scenario). For a number of middle-aged ($\tau\sim100\,{\rm kyr}$) and some younger ($\tau\sim10\,{\rm kyr}$) pulsars the thermal radiation from the entire stellar surface dominates the radiation at soft X-ray energies (e.g. PSR J0633+1746, PSR B1055-52, PSR J0821-4300, PSR B0656+14, PSR J0205+6449, PSR J2021+3651). However, the sample of pulsars is not sufficient to unambiguously identify the cooling scenario. The second type is associated with observations of the warm spot area that is larger than the conventional polar cap area but still significantly less than the area of the star ($b\lesssim1$). The age of pulsars in this group varies from very young ($\tau\sim1\,{\rm kyr}$) to middle-aged ($\tau\sim100\,{\rm kyr}$) neutron stars. There is one exception, namely PSR J1210-5226, which is very old ($\tau=105\,{\rm Myr}$) and can still be classified as a pulsar with the large warm spot component. Note, however, that the age of this pulsar is estimated using a characteristic value and if the pulsar period at birth is comparable with the current period then the age is highly overestimated (see, e.g. PSR J0821-4300). Furthermore, the fit to the X-ray spectrum was performed using only one thermal component and assuming no nonthermal radiation (PL). We believe that in many cases the size of the warm spot component and its temperature are overestimated by neglecting other sources of X-ray radiation, i.e. the nonthermal component and the hot spot radiation. The small number of observed X-ray photons in some cases prevents a full spectrum fit with all thermal and nonthermal components. Therefore, we need observations with better statistics so that the spectrum fit can be extended using more spectral components. The non-dipolar structure of the surface magnetic field may cause significant deviations from the spherical symmetry of the transport processes in the crust. The magnetic field slightly enhances heat transport along the magnetic lines, but strongly suppresses it in the perpendicular direction [78]. Hence, the non-isothermality of the crust strongly depends on the geometry of the magnetic field [58]. The drastic difference of the crustal transport process causes significant differences in the surface temperature distribution [140]. Thus, the non-dipolar structure of the surface magnetic field can explain the existence of large warm spot components for young and middle-aged pulsars. We also suggested a mechanism of heating the surface adjacent to the polar cap [166]. The model of such heating is also based on the assumption that the pulsar magnetic field near the stellar surface differs significantly from the pure dipole one. The calculations show that it is natural to obtain such a geometry of the magnetic field lines that allows pair creation in the closed field line region (see Figure <ref>). [Cartoon of the magnetic field lines in the polar cap region]Cartoon of the magnetic field lines in the polar cap region. Red lines are open field lines and green dashed lines correspond to the dipole field. The blue arrows show the direction of the curvature photon emission. The pairs move along the closed magnetic field lines and heat the surface beyond the polar cap on the opposite side of the star. In such a scenario the heating energy is generated in IAR, and hence the luminosity of such a warm spot is limited by the power of the outflowing particles (for more details see Section <ref>). In most cases the large size of the emitting area and its high temperature make it unlikely that the warm spot is related to the particles accelerated in IAR and is rather connected with the non-isothermality of the crust (e.g. PSR J1210-5226, PSR J1119-6127). §.§.§ The hot spot component (b > 1) In many cases the observed hot spot area $A_{{\rm bb}}$ is less than the conventional polar cap area ($b>1$). The temperature of the emitting area of these pulsars is usually higher than the temperature of the emitting area of pulsars with a warm spot component ($b<1$). The hot spot component is a natural consequence of the non-dipolar structure of the surface magnetic field (see Figure <ref>). In order to define an actual polar cap we need to follow the open field lines from the light cylinder up to the stellar surface by taking into account the non-dipolar structure of the surface magnetic field (see Figure <ref>), which can be estimated by the magnetic flux conservation law as $b=A_{{\rm dp}}/A_{{\rm bb}}$ = $B_{{\rm s}}/B_{{\rm d}}$. Thus, if $b\gg1$ then $B_{{\rm s}}\gg B_{{\rm d}}$. In neutron stars with positively charged polar caps (${\bf \Omega}\cdot{\bf B}<0$), the outflow of iron ions depends on the surface temperature and the surface binding energy (the so-called cohesive energy) [34, 98, 2, 65]. The cohesive energy of condensed matter increases with magnetic field strength [122]. If for a given strength of the surface magnetic field the temperature is below the so-called critical temperature $T_{{\rm crit}}$ the ions can tightly bind to the condensed surface and a polar gap can form (see Chapter <ref> for details). 123 calculated the dependence of the critical temperature (for a vacuum gap formation) on the strength of the surface magnetic field. In Figure <ref> we present the positions of pulsars with derived surface temperature $T_{{\rm s}}$ and hot spot area $A_{{\rm bb}}$ on the $B_{{\rm s}}-T_{{\rm s}}$ diagram, where $B_{{\rm s}}$ is estimated as $B_{{\rm s}}=bB_{{\rm d}}$. The red line represents the dependence of the critical temperature $T_{{\rm crit}}$ on $B_{{\rm s}}$. We can see that in most cases the pulsars' positions follow the $B_{{\rm s}}-T_{{\rm crit}}$ theoretical curve. Note that the Figure includes only pulsars with a visible hot spot component (old pulsars). For younger pulsars (with warm spot components) it is not possible to estimate the surface magnetic field. There are a few cases which do not coincide with the theoretical curve. We believe that they correspond to the observations of warm spot component but with the area of radiation smaller than the conventional polar cap area (e.g. due to reheating of the surface beyond the polar cap, see Section <ref>). According to our model the actual surface temperature is almost equal to the critical value $T_{{\rm s}}\approx T_{{\rm crit}}$, which leads to the formation of the Partially Screened Gap (PSG) above the polar caps of a neutron star [65]. The hot spot parameters derived from X-ray observations of isolated neutron stars are presented in Table <ref>. http://localhost:9090/pulsars/graphs/ [~/Html/pulsars/data/models.py cp ~/Html/pulsar/media/images/t6_b14_log_zoom.svg [Diagram of the surface temperature vs. the surface magnetic field]Diagram of the surface temperature ($T_{6}=T_{{\rm s}}/\left(10^{6}\,{\rm K}\right)$) vs. the surface magnetic field ($B_{14}=B_{{\rm s}}/\left(10^{14}\,{\rm G}\right)$). The red line represents the dependence of $T_{{\rm crit}}$ on $B_{14}$ according to 123 and the dashed lines correspond to uncertainties in the calculations. The diagram includes all pulsars with $b>1$ with the exception of PSR J2043+2740, for which the blackbody fit was performed using a fixed radius (estimation of the surface magnetic field is not possible). Error bars correspond to $1\sigma$. http://localhost:9090/pulsars/table_bb_age/ (PL instead of age in ~/Html/pulsar/download/data/table_bb_age.tex (import in lyx and replace citet with citetalias) fancy [Observed X-ray spectral properties of rotation-powered pulsars [thermal]]Spectral properties of rotation-powered pulsars with detected blackbody X-ray components. The individual columns are as follows: (1) Pulsar name, (2) Spectral components required to fit the observed spectra, PL: power law, BB: blackbody, (3) Radius of the spot obtained from the blackbody fit $R_{{\rm bb}}$, (4) Surface temperature $T_{{\rm s}}$, (5) Surface magnetic field strength $B_{{\rm s}}$, (6) $b=A_{{\rm dp}}/A_{{\rm bb}}=B_{{\rm s}}/B_{{\rm d}}$, $A_{{\rm dp}}$ - conventional polar cap area, $A_{{\rm bb}}$ - actual polar cap area, (7) Bolometric luminosity of blackbody component $L_{{\rm BB}}$, (8) Bolometric efficiency $\xi_{_{{\rm BB}}}$, (9) Maximum nonthermal luminosity $L_{{\rm NT}}^{^{{\rm max}}}$, (10) Maximum nonthermal X-ray efficiency $\xi_{_{{\rm NT}}}^{^{{\rm max}}}$, (11) Best estimate of pulsar age or spin down age, (12) References, (13) Number of the pulsar. Nonthermal luminosity and efficiency were calculated in the $0.1-10\,{\rm keV}$ band. The maximum value was calculated with the assumption that the X-ray nonthermal radiation is isotropic. Pulsars are sorted by $b$ parameter (6). Name Spectrum $R_{{\rm bb}}$ $T_{{\rm s}}$ $B_{{\rm s}}$ $b$ $\log L_{{\rm BB}}$ $\log\xi_{_{{\rm BB}}}$ $\log L_{{\rm X}}$ $\log\xi_{_{{\rm NT}}}^{^{{\rm max}}}$ $\tau$ Ref. No. $\left(10^{6}{\rm K}\right)$ $\left(10^{14}{\rm G}\right)$ $\left({\rm erg\, s^{-1}}\right)$ $\left({\rm erg\, s^{-1}}\right)$ B1451–68 BB + PL $14_{-12.3}^{+24.2}$ m $4.1_{-0.81}^{+1.39}$ $1.36_{-1.18}^{+114}$ $418$ $29.27$ $-3.06$ $29.77$ $-2.56$ $42.5$ Myr [147] 27 B0943+10 BB, PL $12_{-7.7}^{+41.2}$ m $3.1_{-1.07}^{+1.08}$ $4.99_{-4.72}^{+30.45}$ $126$ $28.40$ $-3.62$ $29.38$ $-2.64$ $4.98$ Myr [191],[102] 15 B1929+10 BB + PL $28_{-3.8}^{+4.9}$ m $4.5_{-0.45}^{+0.30}$ $1.26_{-0.35}^{+0.44}$ $122$ $30.06$ $-3.53$ $30.23$ $-3.36$ $3.10$ Myr [132] 43 B1133+16 BB, PL $14_{-9.0}^{+10.5}$ m $3.2_{-0.35}^{+0.46}$ $4.06_{-2.77}^{+31.79}$ $95.5$ $28.56$ $-3.38$ $29.52$ $-2.42$ $5.04$ Myr [102] 22 B0950+08 BB + PL $42_{-26.6}^{+26.6}$ m $2.3_{-0.29}^{+0.29}$ $0.23_{-0.15}^{+1.57}$ $47.9$ $28.92$ $-3.82$ $29.99$ $-2.76$ $17.5$ Myr [187] 16 B2224+65 PL, BB $28_{-18.0}^{+5.6}$ m $5.8_{-1.16}^{+1.16}$ $2.00_{-0.61}^{+13.31}$ $38.6$ $30.51$ $-2.57$ $31.21$ $-1.87$ $1.12$ Myr [95], [94] 47 J0633+1746 BB+BB+PL $62_{-34.0}^{+34.0}$ m $1.7_{-0.23}^{+0.23}$ $0.75_{-0.44}^{+2.92}$ $23.0$ $29.07$ $-5.44$ $30.24$ $-4.27$ $342$ kyr [97] 9 —— $11.17_{-1}^{+1}$ km $0.5_{-0.1}^{+0.1}$ $31.67$ $-2.84$ B0834+06 BB + PL $30_{-15.3}^{+56.4}$ m $2.0_{-0.64}^{+0.75}$ $1.05_{-0.92}^{+3.19}$ $17.7$ $28.70$ $-3.41$ $28.70$ $-3.41$ $2.97$ Myr [61] 14 B0355+54 BB + PL $92_{-53.6}^{+122.5}$ m $3.0_{-1.06}^{+1.51}$ $0.27_{-0.22}^{+1.27}$ $15.9$ $30.40$ $-4.25$ $30.92$ $-3.73$ $564$ kyr [119],[161] 3 J0108–1431 BB + PL $43_{-14.0}^{+24.0}$ m $1.3_{-0.12}^{+0.35}$ $0.07_{-0.04}^{+0.08}$ $14.0$ $27.94$ $-2.82$ $28.57$ $-2.19$ $166$ Myr [147], [143] 1 13|r|Continued on next page Table <ref> - continued from previous Name Spectrum $R_{{\rm bb}}$ $T_{{\rm s}}$ $B_{{\rm s}}$ $b$ $\log L_{{\rm BB}}$ $\log\xi_{_{{\rm BB}}}$ $\log L_{{\rm X}}$ $\log\xi_{_{{\rm NT}}}^{^{{\rm max}}}$ $\tau$ Ref. No. $\left(10^{6}{\rm K}\right)$ $\left(10^{14}{\rm G}\right)$ $\left({\rm erg\, s^{-1}}\right)$ $\left({\rm erg\, s^{-1}}\right)$ B0628–28 BB + PL $64_{-49.7}^{+70.3}$ m $3.3_{-0.62}^{+1.31}$ $0.25_{-0.19}^{+4.88}$ $4.14$ $30.22$ $-1.94$ $30.22$ $-1.94$ $2.77$ Myr [169], [17] 8 J2043+2740 BB + PL $358_{-153.2}^{+153.2}$ m $1.9_{-0.45}^{+0.45}$ $0.01_{-0.01}^{+0.02}$ $1.70$ $30.77$ $-3.98$ $31.41$ $-3.34$ $1.20$ Myr [19] 46 B1719–37 BB $237_{-122.5}^{+390.6}$ m $3.5_{-0.76}^{+0.91}$ $0.05_{-0.04}^{+0.17}$ $1.57$ $31.19$ $-3.32$ – – $345$ kyr [137] 32 J1846–0258 BB + PL $306_{-153.2}^{+153.2}$ m $13.6_{-3.03}^{+3.03}$ – $0.686$ $34.06$ $-2.85$ $35.13$ $-1.78$ $0.73$ kyr [136], [85] 39 B1055–52 BB+BB+PL $460_{-60.0}^{+60.0}$ m $1.8_{-0.06}^{+0.06}$ – $0.503$ $30.89$ $-3.59$ $30.91$ $-3.57$ $535$ kyr [48] 18 $12.30_{-1}^{+2}$ km $0.8_{-0.03}^{+0.03}$ $32.62$ $-1.86$ J0538+2817 BB $666_{-38.3}^{+38.3}$ m $2.8_{-0.04}^{+0.05}$ – $0.330$ $31.97$ $-2.73$ – – $30.0$ kyr [118] 6 J1809–1917 BB + PL $951_{-693.3}^{+920.2}$ m $2.0_{-0.35}^{+0.35}$ – $0.280$ $31.69$ $-4.56$ $31.57$ $-4.68$ $51.3$ kyr [101] 36 J0821–4300 BB + BB $1.22_{-0.13}^{+0.13}$ km $6.3_{-0.19}^{+0.19}$ – $0.125$ $33.61$ $-0.91$ – – $3.70$ kyr [77] 11 —— $6.02_{-0.4}^{+0.4}$ km $3.2_{-0.10}^{+0.10}$ $33.86$ $-0.66$ B1951+32 BB + PL $2.20_{-0.80}^{+1.40}$ km $1.5_{-0.23}^{+0.23}$ – $0.110$ $31.95$ $-4.62$ $33.22$ $-3.35$ $107$ kyr [113] 44 B0833–45 BB + PL $1.61_{-0.15}^{+0.15}$ km $1.9_{-0.05}^{+0.05}$ – $0.091$ $32.12$ $-4.72$ $32.62$ $-4.22$ $11.3$ kyr [186] 13 J1357–6429 BB + PL $1.91_{-0.38}^{+0.38}$ km $2.2_{-0.26}^{+0.26}$ – $0.034$ $32.50$ $-3.99$ $32.15$ $-4.35$ $7.31$ kyr [185] 25 J1210–5226 BB $1.23$ km $3.8$ – $0.033$ $33.04$ $1.51$ – – $102$ Myr [145] 23 B1823–13 BB + PL $2.52_{-0.00}^{+0.00}$ km $1.6_{-0.07}^{+0.10}$ – $0.032$ $32.19$ $-4.27$ $31.78$ $-4.67$ $21.4$ kyr [142] 38 B1916+14 BB, PL $800_{-100.0}^{+100.0}$ m $1.5_{-0.12}^{+0.12}$ – $0.028$ $31.07$ $-2.63$ $32.00$ $-1.71$ $88.1$ kyr [194] 41 B1706–44 BB + PL $2.76_{-0.69}^{+0.69}$ km $2.2_{-0.20}^{+0.22}$ – $0.027$ $32.78$ $-3.76$ $32.16$ $-4.37$ $17.5$ kyr [75] 31 Table <ref> - continued from previous Name Spectrum $R_{{\rm bb}}$ $T_{{\rm s}}$ $B_{{\rm s}}$ $b$ $\log L_{{\rm BB}}$ $\log\xi_{_{{\rm BB}}}$ $\log L_{{\rm X}}$ $\log\xi_{_{{\rm NT}}}^{^{{\rm max}}}$ $\tau$ Ref. No. $\left(10^{6}{\rm K}\right)$ $\left(10^{14}{\rm G}\right)$ $\left({\rm erg\, s^{-1}}\right)$ $\left({\rm erg\, s^{-1}}\right)$ B2334+61 BB + PL $1.27_{-0.30}^{+0.45}$ km $2.1_{-0.76}^{+0.46}$ – $0.026$ $32.06$ $-2.73$ $31.55$ $-3.24$ $40.9$ kyr [120] 48 B0656+14 BB+BB+PL $1.80_{-0.15}^{+0.15}$ km $1.2_{-0.03}^{+0.03}$ – $0.017$ $31.45$ $-3.13$ $30.26$ $-4.33$ $111$ kyr [48] 10 —— $20.90_{-4}^{+3}$ km $0.7_{-0.01}^{+0.01}$ $32.74$ $-1.84$ J1119–6127 BB + PL $2.60_{-0.23}^{+1.38}$ km $3.1_{-0.26}^{+0.39}$ – $0.008$ $33.37$ $-3.00$ $32.95$ $-3.42$ $1.61$ kyr [73], [135] 20 J0205+6449 BB + PL $8.1$ km $1.7$ – $0.005$ $33.60$ $-3.83$ $33.10$ $-4.33$ $5.37$ kyr [162] 2 J2021+3651 PL, BB $7.00_{-1.70}^{+4.00}$ km $2.4_{-0.30}^{+0.30}$ – $0.004$ $33.78$ $-2.75$ $34.36$ $-2.17$ $17.2$ kyr [177],[89] 45 CHAPTER: MODEL OF A NON-DIPOLAR SURFACE MAGNETIC FIELD § THE MAGNETIC FIELD OF NEUTRON STARS Generally, the properties of pulsar radio emission support the assumption that the magnetic field of pulsars is purely dipolar at least in the radio emission region [148]. However, radio emission is generated at altitudes $R_{{\rm em}}$ of more than several stellar radii (e.g. 106, 107, 109 and references therein). Thus, radio observations do not provide information about the structure of the magnetic field at the surface of the neutron star. On the other hand, strong non-dipolar surface magnetic fields have long been thought to be a necessary condition for pulsar activities, e.g. the vacuum gap model proposed by 156 implicitly assumes that the radius of curvature of field lines above the polar cap should be about $10^{6}\,{\rm cm}$ in order to sustain pair production. This curvature is approximately $100$ times higher than that expected from a global dipolar magnetic field. Furthermore, to explain radiation from the Crab Nebula, the Crab pulsar should provide quite a dense stellar wind, as such a high particle multiplicity is not possible in a purely dipolar magnetic field. There are several theoretical studies concerning the formation and evolution of the non-dipolar magnetic fields of neutron stars (e.g. 23, 108, 155, 5, 33, 59, 133, 140). According to 182, the magnetic field in neutron stars results from the fossil field of the progenitor stars which is amplified during the collapse and remains anchored in the superfluid core of the neutron star. Several authors also noted that during the collapse (or shortly after) there is possible magnetic field generation in the external crust, for instance, by a mechanism like thermomagnetic instabilities [23]. 175 also showed that it is possible to form small-scale magnetic field anomalies in the neutron star crust with a typical size of the order of $100$ The soft X-ray observations of pulsars presented in Chapter <ref> show non-uniform surface temperatures which can be attributed to small-scale magnetic anomalies in the crust. Further observational arguments in favour of the non-dipolar nature of the surface magnetic field can be found in many articles (e.g. 27, 170, 28, 141, 171, 18, 35, 154, 38, 134, 167, 115). § MODELLING OF THE SURFACE MAGNETIC FIELD In order to model a surface magnetic field we used the scenario proposed by 67. In this scenario the magnetic field at the neutron star's surface is non-dipolar in nature, which is due to superposition of the fossil field in the core and crustal field structures. To calculate the actual surface magnetic field described by superposition of the star-centred global dipole $\mathbf{d}$ and the crust-anchored dipole moment $\mathbf{m}$, let us consider the general situation presented in Figure <ref> [Model of a non-dipolar surface magnetic field]Superposition of the star-centred global magnetic dipole $\mathbf{d}$ and crust-anchored local dipole anomaly $\mathbf{m}$ located at $\mathbf{r_{s}}=(r_{s}\sim R,\,\theta=\theta_{r})$ and inclined to the $z$-axis by an angle $\theta_{m}$. The actual surface magnetic field at radius vector $\mathbf{r}=(r,\,\theta)$ is $\mathbf{B_{s}}=\mathbf{B_{d}}+\mathbf{B_{{\rm m}}}$, where $B_{d}=2d/r^{3}$, $B_{{\rm m}}=2m/|\mathbf{r}\mathbf{r_{s}}|^{3}$, $r$ is the radius and $\theta$ - is the polar angle. $R$ is the radius of the neutron star and L is the external crust thickness. 67 The actual surface magnetic field is a sum of the global magnetic dipole and crust-anchored local anomalies \begin{equation} \mathbf{B_{s}}=\mathbf{B_{d}}+\mathbf{B_{{\rm m}}}+...\label{eq:model.field} \end{equation} Using the star-centred spherical coordinates with the $z$-axis directed along the global magnetic dipole moment we obtain: \begin{equation} \mathbf{B_{d}}=\left(\frac{2d\cos\theta}{r^{3}},\,\frac{d\sin\theta}{r^{3}},\,0\right),\label{eq:model.b_d} \end{equation} \begin{equation} \mathbf{B_{{\rm m}}}=\frac{3(\mathbf{r}-\mathbf{r_{s}})(\mathbf{m}\cdot(\mathbf{r}-\mathbf{r_{s}}))-\mathbf{m}|\mathbf{r}-\mathbf{r_{s}}|^{2}}{|\mathbf{r}-\mathbf{r_{s}}|^{5}}. \end{equation} Here $\mathbf{r_{s}}=(r_{s},\,\theta_{r},\,\phi_{r})$, $\mathbf{m}=(m,\,\theta_{m},\,\phi_{m})$ and the spherical components of $\mathbf{B_{{\rm m}}}$ are explicitly given in Equation <ref>. The global magnetic moment can be written as \begin{equation} d=\frac{1}{2}B_{{\rm p}}R^{3}, \end{equation} where $B_{{\rm p}}=6.4\times10^{19}\left(P\dot{P}\right){}^{1/2}\,{\rm G}$ is the dipole component at the pole derived from pulsar spin-down energy loss. The crust-anchored local dipole moment is \begin{equation} m=\frac{1}{2}B_{{\rm m}}\Delta R^{3}, \end{equation} where $\Delta R\sim0.05R<L$ and $L\sim10^{5}\,{\rm cm}$ is the characteristic crust dimension (for $R=10^{6}\,{\rm cm}$). For these values a local anomaly can significantly influence the surface magnetic field ($B_{{\rm m}}>B_{{\rm d}}$) if $m/d>10^{-4}$. The system of differential equations for a field line of the vector field $\mathbf{B=}\left(B_{r},\, B_{\theta},\, B_{\phi}\right)$ in spherical coordinates can be written as \begin{equation} \begin{cases} \frac{{\rm d}\theta}{{\rm d}r} & =\frac{B_{\theta}}{rB_{r}}\\ \frac{{\rm d}\phi}{{\rm d}r} & =\frac{B_{\phi}}{r\sin(\theta)B_{r}}. \end{cases}\label{eq:model.diff_eqs} \end{equation} The solution of these equations, with the initial conditions $\theta_{0}=\theta(r=R)$ and $\mbox{\ensuremath{\phi_{0}}=\ensuremath{\phi}(r=R)}$ determining a given field line at the stellar surface, describes the parametric equation of the magnetic field lines. The spherical components of $\mathbf{B_{{\rm m}}}$ can be written in the following form \begin{equation} \begin{split}B_{r}^{m} & =-\frac{1}{D^{2.5}}\left(3Tr_{r}^{s}-3Tr+Dm_{r}\right),\\ B_{\theta}^{m} & =-\frac{1}{D^{2.5}}\left(3Tr_{\theta}^{s}+Dm_{\theta}\right),\\ B_{\phi}^{m} & =-\frac{1}{D^{2.5}}\left(3Tr_{\phi}^{s}+Dm_{\phi}\right). \end{split} \label{eq:model.b_m} \end{equation} \begin{equation} \end{equation} \begin{equation} \end{equation} According to the geometry presented in Figure <ref>, the components of the radius vector of the origin of the crust-anchored local dipole anomaly can be written as \begin{equation} \begin{split}r_{r}^{s} & =r_{s}\left(\sin\theta_{r}\sin\theta\cos\left(\phi-\phi_{r}\right)+\cos\theta_{r}\cos\theta\right),\\ r_{\theta}^{s} & =r_{s}\left(\sin\theta_{r}\cos\theta\cos\left(\phi-\phi_{r}\right)+\cos\theta_{r}\sin\theta\right),\\ r_{\phi}^{s} & -r_{s}\sin\theta_{r}\sin\left(\phi-\phi_{r}\right). \end{split} \end{equation} The components of the local dipole anomaly are \begin{equation} \begin{split}m_{r} & =m\left(\sin\theta_{m}\sin\theta\cos\left(\phi-\phi_{m}\right)+\cos\theta_{m}\cos\theta\right),\\ m_{\theta} & =m\left(\sin\theta_{m}\cos\theta\cos\left(\phi-\phi_{m}\right)+\cos\theta_{m}\sin\theta\right),\\ m_{\phi} & =-m\sin\theta_{m}\sin\left(\phi-\phi_{m}\right). \end{split} \end{equation} Finally, we obtain the system of differential equations from Equation <ref> by substitutions $B_{r}=B_{r}^{d}+B_{r}^{m}$, $B_{\theta}=B_{\theta}^{d}+B_{\theta}^{m}$ and $B_{\phi}=B_{\phi}^{d}+B_{\phi}^{m}$ (Equations <ref> and <ref>) \begin{equation} \frac{{\rm d}\theta}{{\rm d}r}=\frac{B_{\theta}^{d}+B_{\theta}^{m}}{r\left(B_{r}^{d}+B_{r}^{m}\right)}\equiv\Theta_{1},\label{model.line_diff} \end{equation} \begin{equation} \frac{{\rm d}\phi}{{\rm d}r}=\frac{B_{\phi}^{m}}{r\left(B_{r}^{d}+B-r^{m}\right)\sin\theta}\equiv\Phi_{1}.\label{model.line_diff2} \end{equation} § CURVATURE OF MAGNETIC FIELD LINES As Curvature Radiation (CR) may play a decisive role in radiation processes, it is important to calculate the curvature (or curvature radius) for each field line. The curvature $\rho_{c}=1/\Re$ of field lines (where $\Re$ is the radius of curvature) is calculated as [67] \begin{equation} \rho_{c}=\left(\frac{{\rm d}s}{{\rm d}r}\right)^{-3}\left|\left(\frac{{\rm d}^{2}\mathbf{r}}{{\rm d}r^{2}}\frac{{\rm d}s}{{\rm d}r}-\frac{{\rm d}\mathbf{r}}{{\rm d}r}\frac{{\rm d}^{2}s}{{\rm d}r^{2}}\right)\right|, \end{equation} \begin{equation} \frac{{\rm d}s}{{\rm d}r}=\sqrt{\left[1+r^{2}\Theta_{1}^{2}+r^{2}\Phi_{1}^{2}\sin^{2}(\theta)\right]}. \end{equation} Thus, the curvature can be written in the form \begin{equation} \rho_{c}=\left(S_{1}\right)^{-3}\left(J_{1}^{2}+J_{2}^{2}+J_{3}^{2}\right)^{1/2}, \end{equation} \begin{equation} \begin{split}J_{1}= & X_{2}S_{1}-X_{1}S_{2},\\ J_{2}= & Y_{2}S_{1}-Y_{1}S_{2},\\ J_{3}= & Z_{2}S_{1}-Z_{1}S_{2},\\ X_{1}= & \sin\theta\cos\phi+r\Theta_{1}\cos\theta\cos\phi-r\Phi_{1}\sin\theta\sin\phi,\\ Y_{1}= & \sin\theta\sin\phi+r\Theta_{1}\cos\theta\sin\phi-r\Phi_{1}\sin\theta\cos\phi,\\ Z_{1}= & \cos\theta-r\Theta_{1}\sin\theta,\\ X_{2}= & \left(2\Theta_{1}+r\Theta_{2}\right)\cos\theta\cos\phi-\left(2\Phi_{1}+r\Phi_{2}\right)\sin\theta\sin\phi-\\ & r\left(\Theta_{1}^{2}+\Phi_{1}^{2}\right)\sin\theta\cos\phi+2r\Theta_{1}\Phi_{1}\cos\theta\sin\phi,\\ Y_{2}= & \left(2\Theta_{1}+r\Theta_{2}\right)\cos\theta\sin\phi+\left(2\Phi_{1}+r\Phi_{2}\right)\sin\theta\cos\phi-\\ & r\left(\Theta_{1}^{2}+\Phi_{1}^{2}\right)\sin\theta\sin\phi+2r\Theta_{1}\Phi_{1}\cos\theta\cos\phi,\\ Z_{2}= & -\Theta_{1}\sin\theta-\Theta_{1}\sin\theta-r\Theta_{2}\sin\theta-r\Theta_{1}^{2}\cos\theta,\\ S_{1}= & \sqrt{1+r^{2}\Theta_{1}^{2}+r^{2}\Phi_{1}^{2}\sin^{2}\theta},\\ S_{2}= & S_{1}^{-1}\left(t\Theta_{1}^{2}+r^{2}\Theta_{1}\Theta_{2}+r\Phi_{1}^{2}\sin^{2}\theta+r^{2}\Phi_{1}\Phi_{2}\sin^{2}\theta+r^{2}\Theta_{1}\Phi_{1}^{2}\sin\theta\cos\theta\right),\\ \Theta_{2}\equiv & \frac{{\rm d}\Theta_{1}}{{\rm d}r},\\ \Phi_{2}\equiv & \frac{{\rm d}\Phi_{1}}{{\rm d}r}. \end{split} \end{equation} §.§ Numerical calculation of the curvature Let us note that when evaluating Equation <ref> it was assumed that $\sin\theta\neq0$. Thus $\Phi_{1}$ and $\Phi_{2}$ are undefined for $\theta=0$. Figure <ref> presents the first and second derivative ($\Phi_{1}$, $\Phi_{2}$) of the $\phi$-coordinate of a magnetic field line with respect to the $r$-coordinate for a magnetic field structure with $B_{\phi}\neq0$. The singularity in Equation <ref> may result in an overestimation of curvature of field lines that cross the $\theta=0$ plane for a complex structure of the surface magnetic field. To solve this problem, and in addition to the analytical approach, the numerical calculation of the curvature of magnetic field lines was implemented. Let us consider three consecutive points of the given magnetic field line $A$, $B$, $C$ (see Figure <ref>). ~/Programs/studies/phd/curvature/curvature.py (show_angles) with 99 data set [First and second derivative of the $\phi$-coordinate of the magnetic field line]Plot of the first and second derivative of the $\phi$-coordinate of the magnetic field line with respect to the $r$-coordinate vs. the distance from the stellar surface. Values were calculated using the approach described in Section <ref>. Panels (a) and (b) show the first and second derivative of the $\phi$-coordinate while panel (c) shows the $\theta$-coordinate of the magnetic field [Curvature of magnetic field lines (numerical approach)]For any given three points ($A$, $B$, $C$) we can always find a common plane. We use the following transformations to achieve this: (I) shift the origin of the system to point $A$ (prime), (II) rotate the shifted system by an angle $\varsigma_{y}$ around the $y^{\prime}$–axis and by an angle $\varsigma_{x}$ around the $x^{\prime\prime}$-axis (double prime). After these transformations the $z^{\prime\prime}$-axis will be aligned with normal vector $\hat{{\bf N}}$ and all points will lie in the $x^{\prime\prime}y^{\prime\prime}$-plane of such a system of coordinates. To calculate curvature (or radius of curvature) in point $B$ we can use the following procedure: * simplify the 3-D problem to 2-D by finding a common plane for all three points * move the origin of the coordinate system to point $A$ * rotate the coordinate system to align the z-axis with the normal vector to the common plane of all three points ($A$, $B$, $C$) * calculate the radius of the circle passing through all three points (in a 2-D coordinate system) §.§.§ 3-D to 2-D transition To simplify the calculations we shift the origin of the coordinate system so that point $A$ will be the origin of the new system: \begin{eqnarray} A^{\prime} & = & \left(0,\,0,\,0\right);\nonumber \\ B^{\prime} & = & \left(B_{1}-A_{1},\, B_{2}-A_{2},\, B_{3}-A_{3}\right);\\ C^{\prime} & = & \left(C_{1}-A_{1},\, C_{2}-A_{2},\, C_{3}-A_{3}\right).\nonumber \end{eqnarray} The unit normal vector to the plane enclosing all three points ($A^{\prime}$, $B^{\prime}$, $C^{\prime}$) can be calculated as \begin{equation} \hat{{\bf N}}=\frac{{\bf b}\times{\bf c}}{\left|{\bf b}\times{\bf c}\right|}=\left(N_{1},\, N_{2},\, N_{3}\right), \end{equation} where ${\bf b}=\left(B_{1}^{\prime},\, B_{2}^{\prime},\, B_{3}^{\prime}\right)$ and ${\bf c}=\left(C_{1}^{\prime},\, C_{2}^{\prime},\, C_{3}^{\prime}\right)$. The next step is to rotate the shifted coordinate system to align the $z^{\prime}$-axis with normal vector $\hat{{\bf N}}$. In the new system all three points will lie in the $x^{\prime\prime}y^{\prime\prime}$-plane. In our calculations we rotate the shifted system by an angle $\varsigma_{y}$ around the $y^{\prime}$-axis, $R_{y}\left(\varsigma_{y}\right)$, and a rotation by an angle $\varsigma_{x}$ around the $x^{\prime\prime}$-axis, $R_{x}\left(\varsigma_{x}\right)$. The final rotation matrix can be written as \begin{equation} \cos\varsigma_{y} & \sin\varsigma_{x}\sin\varsigma_{y} & \sin\varsigma_{y}\cos\varsigma_{x}\\ 0 & \cos\varsigma_{x} & -\sin\varsigma_{x}\\ -\sin\varsigma_{y} & \cos\varsigma_{y}\sin\varsigma_{x} & \cos\varsigma_{y}\cos\varsigma_{x} \end{array}\right] \end{equation} The Euler angles for these rotations can be calculated as $\varsigma_{x}={\rm atan2}\left(N_{2},N_{3}\right).$ [where ${\rm atan2}\left(y,\, x\right)$ equals: (1) $\arctan\left(y/x\right)$ if $x>0$; (2) $\arctan\left(y/x\right)+\pi$ if $y\ge0$ and $x<0$; (3) $\arctan\left(y/x\right)-\pi$ if $y<0$ and $x<0$; (4) $\pi/2$ if $y>0$ and $x=0$; (5) $-\pi/2$ if $y<0$ and $x=0$; (6) is undefined if $y=0$ and $x=0$. This function is available in many programming \begin{equation} \begin{array}{c} \varsigma_{y}=\begin{cases} \arctan\left(-\frac{N_{1}}{N_{3}}\cos\varsigma_{x}\right) & {\rm if\ }N_{3}\neq0\\ \arctan\left(-\frac{N_{1}}{N_{2}}\sin\varsigma_{x}\right) & {\rm if\ }N_{2}\neq0\\ \frac{\pi}{2} & {\rm if\ }N_{2}=0\ {\rm and}\ N_{3}=0 \end{cases}\end{array} \end{equation} where $\arctan2\left(x,\, y\right)$ is the arc tangent of the two variables $x$ and $y$. It is similar to calculating the arc tangent of $x/y$, except that the signs of both arguments are used to determine the quadrant of the result, which lies in the range $\left[-\pi,\,\pi\right]$. This function is available in many programming languages and often is called atan2. Finally, we can write the components of all three points in our new (shifted and double-rotated) system of coordinates as follows \begin{eqnarray} A^{\prime\prime} & = & R_{yx}A^{\prime}=\left(0,\,0,\,0\right);\nonumber \\ B^{\prime\prime} & = & R_{yx}B^{\prime}=\left(B_{1}^{\prime\prime},\, B_{2}^{\prime\prime},\,0\right);\\ C^{\prime\prime} & = & R_{yx}C^{\prime}=\left(C_{1}^{\prime\prime},\, C_{2}^{\prime\prime},\,0\right).\nonumber \end{eqnarray} §.§.§ Circle passing through 3 points [25] Finding the radius of the circle passing through three consecutive points of a given magnetic field line ($A=\left(0,\,0\right)$, $B=\left(B_{1},\, B_{2}\right)$, $C=\left(C_{1},\, C_{2}\right)$) is an exact method for finding the radius of curvature $\Re$ and hence the curvature $\rho=1/\Re$ of this line. Note that for simplicity's sake we hereafter describe points without double prime notation but they refer to coordinates in the shifted and double-rotated system of coordinates (e.g. $B=\left(B_{1},\, B_{2}\right)=\left(B_{1}^{\prime\prime},\, B_{2}^{\prime\prime}\right)$). Slope $m_{1}$ of the line joining $A$ to $B$ and slope $m_{2}$ of the line joining $B$ to $C$ (see Figure <ref>) are given by \begin{equation} \begin{split}m_{1}= & \frac{\Delta y}{\Delta x}=\frac{B_{2}}{B_{1}},\\ m_{2}= & \frac{\Delta y}{\Delta x}=\frac{C_{2}-B_{2}}{C_{1}-B_{1}}. \end{split} \label{eq:model.slopes} \end{equation} In general, the centre of the circle passing through our points is given by \begin{equation} \begin{split}x_{c}= & \frac{m_{1}m_{2}\left(A_{2}-C_{2}\right)+m_{2}\left(A_{1}-B_{1}\right)-m_{1}\left(B_{1}-C_{1}\right)}{2\left(m_{2}-m_{1}\right)},\\ y_{c}= & \frac{1}{m_{1}}\left(x_{c}-\frac{A_{1}+B_{1}}{2}\right)+\frac{A_{2}+B_{2}}{2}. \end{split} \end{equation} cp ~/Programs/magnetic/magnetic/src/model/curvature_circle.pdf [The radius of curvature of the magnetic field line] The radius of curvature $\Re$ of the magnetic field line at a given point $B$ can be calculated as the radius of the circle passing through this and the neighbouring two points ($A$, $C$). The system of coordinates was moved and double-rotated so that $A$ is in its origin and all points lie in the $x^{\prime\prime}y^{\prime\prime}$-plane. The slopes of the lines joining $A$ to $B$ and $B$ to $C$ are described by Equation <ref>. Since point $A$ is in the centre of the coordinate system we can simplify these formulas as follows \begin{equation} \begin{split}x_{c}= & \frac{2\, B_{1}^{2}B_{2}-2\, B_{1}B_{2}C_{1}+B_{2}C_{1}^{2}-B_{2}C_{2}^{2}-\left(B_{1}^{2}-B_{2}^{2}\right)C_{2}}{2\,\left(B_{1}C_{2}-B_{2}C_{1}\right)},\\ y_{c}= & \frac{B_{2}^{2}-\left(B_{2}-2\, x_{c}\right)B_{1}}{2\, B_{2}}. \end{split} \end{equation} Finally, we can calculate the radius of curvature simply by finding the distance between the centre of the circle and any of the points on the circle (we have chosen point $A$) \begin{equation} \Re=\frac{1}{\rho}=\sqrt{x_{c}^{2}+y_{c}^{2}}. \end{equation} In this thesis we consider complex structures of the surface magnetic field, thus the numerical method presented above was used in all the calculations of curvature. The analytical approach may result in an overestimation of curvature for points with $\theta\approx0$ (see Figure <ref>). ~/Programs/studies/phd/curvature/curvature.py (show_curva) with 99 data set [Curvature of the magnetic field lines vs. the height above the stellar surface]Curvature of the magnetic field lines vs. the height above the stellar surface calculated using the analytical approach described in Section [<ref>] (green lines) and the numerical approach presented above (red lines). Panel (a) corresponds to the magnetic field line which has no $\phi$ component, while panel (b) corresponds to a more general scenario i.e. the nonzero $\phi$ component of the magnetic field line. As can be seen, the analytical approach is not valid for every case. This is caused by the undefined value of the $\phi$ derivative for $\theta=0$ (see Equation [<ref>]). Here $\rho_{-6}=1/\Re_{6}=\rho/\left(10^{-6}\,{\rm cm}^{-1}\right)$ and $\Re_{6}=\Re/\left(10^{6}\,{\rm cm}\right)$. § SIMULATION RESULTS In this section we model the surface non-dipolar magnetic field structure for some pulsars. Note that we can estimate the size of the polar cap and the strength of the surface magnetic field only for pulsars with an observed hot spot (see Section <ref>). Here we present only pulsars listed in Table <ref>. We use spherical coordinates $\left(r,\,\theta,\,\phi\right)$ to describe the location and orientation of crust-anchored local anomalies. The parameters of anomalies are as follows: ${\bf r_{a}}=\left(r_{a},\,\theta_{a},\,\phi_{a}\right)$ is a radius vector which points to the location of the anomaly and ${\bf m_{a}}=\left(m_{a},\,\theta_{a}\,,\phi_{a}\right)$ is its dipole moment. The value of $m_{a}$ is measured in units of the global dipole moment $d$, i.e. the moment which corresponds to the pulsar's global magnetic field. In the Figures showing a possible non-dipolar structure (e.g. Figure <ref>, <ref>, <ref>) the dashed lines correspond to the dipolar configuration of the magnetic field lines, while the solid lines correspond to the actual magnetic field lines (taking into account the crust-anchored anomalies). Green and red lines represent the open magnetic field lines for dipolar and non-dipolar structures, respectively. §.§ PSR B0628-28 Pulsar B0628-28, a bright radio pulsar, was discovered by 111 during a pulsar search at 408 MHz. The pulsar period $P\approx1.24\,{\rm s}$ and its first derivative $\dot{P}_{-15}\approx7.1$ result in a dipolar component of magnetic field $B_{{\rm d}}=6\times10^{12}\,{\rm G}$ and a characteristic age $\tau_{c}\approx2.8\,{\rm Myr}$, which makes it a typical, old pulsar. The large distance to this pulsar $D=1.44\,{\rm kpc}$ (evaluated using the Galactic free electron density model of 42) makes it impossible to use the parallax method to determine the distance with better accuracy. PSR B0628-28 is one of the longest period pulsars among those detected in X-rays. The pulsar was first detected in the X-ray band by ROSAT and then later observed with both the Chandra and XMM-Newton. Observations with the Chandra revealed no pulsations, while the XMM-Newton observations revealed pulsations with a period consistent with the period of radio emission [169]. The inconsistency of the observations is a reflection of the fact that the pulsar is detectable just at the threshold of sensitivity of both the observatories. The two-component spectral fit (BB+PL) shows that both the nonthermal and thermal components have a comparable luminosity (at least if we assume that the nonthermal radiation is isotropic, see Table <ref>). PSR $\mbox{B0628-28}$ is characterised by one of the largest X-ray efficiencies among the observed pulsars $\xi_{{\rm BB}}\approx\xi_{{\rm NT}}^{^{{\rm max}}}\approx10^{-2}$. ~/Programs/studies/phd/lines/lines.py (plot_b0628), 400, 401, data sets [Possible non-dipolar structure of the magnetic field lines [PSR B0628-28]]Possible non-dipolar structure of the magnetic field lines of PSR The structure was obtained using two crust anchored anomalies located ${\bf r_{1}}=\left(0.95R,\,4^{\circ},\,0^{\circ}\right)$, ${\bf r_{2}}=\left(0.95R,\,5^{\circ},\,180^{\circ}\right)$, with the dipole moments ${\bf m_{1}}=\left(4.5\times10^{-3}d,\,5^{\circ},\,0^{\circ}\right)$, ${\bf m_{2}}=\left(4.5\times10^{-3}d,\,170^{\circ},\,180^{\circ}\right)$ respectively (blue arrows). The influence of the anomalies is negligible at distances $D\gtrsim2R$, where $B_{{\rm m}}/B_{{\rm d}}\approx m/d=4.5\times10^{-3}$ (top panel). For more details on the polar cap region see Figure <ref>. ~/Programs/studies/phd/lines/lines.py (plot_b0628_zoom), 400 data set [Zoom of the polar cap region [PSR B0628-28]]Zoom of the polar cap region of PSR B0628-28. See Figure <ref> for a description. ~/Programs/studies/phd/lines/lines.py (curvature_b0628), 403 data set [Curvature of the open magnetic field lines [PSR B0628-28]]Dependence of a curvature of the open magnetic field lines on the distance from the stellar surface for PSR B0628-28. The distance is in units of the stellar radius $z_{6}=z/R$ and the curvature of the magnetic field lines is $\rho_{-6}=1/\Re_{6}=\rho/\left(10^{-6}\,{\rm cm}^{-1}\right)$. §.§ PSR J0633+1746 Geminga was discovered in 1972 as a $\gamma$-ray source by 56. The visual magnitude of the pulsar was estimated by 22 to be of the order of $\sim25.5^{^{{\rm mag}}}$. The pulse modulation was discovered in X-rays [79], in $\gamma$-rays, and at optical wavelengths [160]. Geminga has been determined to be a relatively old ($\tau=342\,{\rm kyr}$) radio-quiet pulsar with a period $P=237\,{\rm ms}$. The distance to the pulsar $D=0.16\,{\rm kpc}$, evaluated using the parallax method, makes it the closest pulsar with available X-ray data. The pulsar exhibits one of the weakest radio luminosities known and a cutoff at frequencies higher than about $100\,{\rm MHz}$. The model presented by 66 explains this weak radio emission with absorption by the magnetised relativistic plasma inside the light cylinder. As the exact model of radio emission is still unknown (see Section <ref>), it is difficult to verify if this weak radio emission is a result of absorption or the absence of coherent radio emission. The three-component fit to the X-ray spectrum (PL+BB+BB, see Table <ref>) reveals the hot spot component with a size that is considerably smaller than the conventional polar cap size ($b\approx23$). The entire surface temperature $T_{{\rm s}}=0.5\,{\rm MK}$ is consistent with the theoretical value predicted by the cooling ~/Programs/studies/phd/lines/lines.py (plot_j0633), 370, 371data sets [Possible non-dipolar structure of the magnetic field lines [PSR J0633+1746]]Possible non-dipolar structure of the magnetic field lines of PSR The structure was obtained using two crust anchored anomalies located ${\bf r_{1}}=\left(0.95R,\,3^{\circ},\,0^{\circ}\right)$, ${\bf r_{2}}=\left(0.95R,\,6^{\circ},\,180^{\circ}\right)$, with the dipole moments ${\bf m_{1}}=\left(5.5\times10^{-3}d,\,10^{\circ},\,0^{\circ}\right)$, ${\bf m_{2}}=\left(5.5\times10^{-3}d,\,160^{\circ},\,0^{\circ}\right)$ respectively (blue arrows). The influence of the anomalies is negligible at distances $D\gtrsim3.1R$, where $B_{{\rm m}}/B_{{\rm d}}\approx m/d=5.5\times10^{-3}$ (top panel). For more details on the polar cap region see Figure <ref>. ~/Programs/studies/phd/lines/lines.py (plot_j0633_zoom), 373 data set [Zoom of the polar cap region [PSR J0633+1746]]Zoom of the polar cap region of PSR J0633+1746. See Figure <ref> for a description. ~/Programs/studies/phd/lines/lines.py (curvature_0633), data set [Curvature of the open magnetic field lines [PSR J0633+1746]]Dependence of a curvature of the open magnetic field lines on the distance from the stellar surface for PSR J0633+1746. The distance is in units of the stellar radius $z_{6}=z/R$ and the curvature of the magnetic field lines is $\rho_{-6}=1/\Re_{6}=\rho/\left(10^{-6}\,{\rm cm}^{-1}\right)$. §.§ PSR B0834+06 The bright radio emission of PSR B0834+06 shows frequent nulls (nearly $9\%$ of the pulses is absent, see 150) . With a relatively long rotational period $P=1.27\,{\rm s}$ and $\dot{P}_{-15}\approx7.1$ [168], its inferred physical properties, e.g. $B_{{\rm d}}=3\times10^{12}\,{\rm G}$, are close to the average. The characteristic age $\tau_{c}=2.97\,{\rm Myr}$ implies that the pulsar should be categorised as an old pulsar. The distance to the pulsar, estimated as $D=0.64\,{\rm kc}$, was derived from its dispersion measure using the Galactic free-electron density model of 42. 180 suggest a drift of subpulses, but the estimated value of a subpulse separation is larger than the pulse width. Despite the fact that the geometry based on the carousel model could be fitted to the observations, there is no clear evidence for a drift of emission between the components of the pulsar [149]. The pulsar was detected in X-ray by 61 with a total of $70$ counts from over $50\,{\rm ks}$ exposure time. Because of the low statistical quality of the X-ray data, it was not possible to constrain the absorbing column density $N_{H}$. The two-component spectral fit (BB + PL), as presented in this thesis, was performed using the assumption that both the thermal and nonthermal fluxes are of the same order. ~/Programs/studies/phd/lines/lines.py (plot_b0834), 380, 381 data sets [Possible non-dipolar structure of the magnetic field lines [PSR B0834+06]]Possible non-dipolar structure of the magnetic field lines of PSR The structure was obtained using two crust anchored anomalies located ${\bf r_{1}}=\left(0.95R,\,2^{\circ},\,0^{\circ}\right)$, ${\bf r_{2}}=\left(0.95R,\,5^{\circ},\,180^{\circ}\right)$, with the dipole moments ${\bf m_{1}}=\left(3\times10^{-3}d,\,15^{\circ},\,0^{\circ}\right)$, ${\bf m_{2}}=\left(3\times10^{-3}d,\,150^{\circ},\,0^{\circ}\right)$ respectively (blue arrows). The influence of the anomalies is negligible at distances $D\gtrsim3.2R$, where $B_{{\rm m}}/B_{{\rm d}}\approx m/d=3\times10^{-3}$ (top panel). For more details on the polar cap region see Figure <ref>. ~/Programs/studies/phd/lines/lines.py (plot_b0834_zoom), 380 set [Zoom of the polar cap region [PSR B0834+06]]Zoom of the polar cap region of PSR B0834+06. See Figure <ref> for a description. ~/Programs/studies/phd/lines/lines.py (curvature_b0834), data set [Curvature of the open magnetic field lines [PSR B0834+06]]Dependence of a curvature of the open magnetic field lines on the distance from the stellar surface for PSR B0834+06. The distance is in units of stellar radius ($z_{6}=z/R$) and the curvature of the magnetic field lines is $\rho_{-6}=1/\Re_{6}=\rho/\left(10^{-6}\,{\rm cm}^{-1}\right)$. §.§ PSR B0943+10 Pulsar B0943+10 is a relatively old pulsar with a characteristic age of $\tau_{c}=4.98\,{\rm Myr}$. The pulsar period $P=1.1\,{\rm s}$ and its first derivative $\dot{P}_{-15}\approx3.5$ result in the dipolar component of a magnetic field $B_{{\rm d}}=4.0\times10^{12}\,{\rm G}$. Using the Galactic free-electron density model of 42, we can estimate the distance to the pulsar $D=0.63\,{\rm kpc}$. PSR B0943+10 is a well-known example of a pulsar exhibiting both the mode changing and subpulse drifting phenomenon. Strong, regular subpulse drifting is observed only in radio-bright mode, and only hints of the modulation feature have been found in the radio-quiescent mode. Very recent results presented by 87 show synchronous switching in the radio and X-ray emission properties. When the pulsar is in a radio-bright mode, the X-rays exhibit only an unpulsed component. On the other hand, when the pulsar is in a radio-quiet mode, the flux of X-rays is doubled and a pulsed component is also visible. ~/Programs/studies/phd/lines/lines.py (plot_0943), 910 data sets [Possible non-dipolar structure of the magnetic field lines [PSR B0943+10]]Possible non-dipolar structure of the magnetic field lines of PSR The structure was obtained using two crust anchored anomalies located ${\bf r_{1}}=\left(0.96R,\,0^{\circ},\,0^{\circ}\right)$, ${\bf r_{2}}=\left(0.96R,\,15^{\circ},\,0^{\circ}\right)$, with the dipole moments ${\bf m_{1}}=\left(2.0\times10^{-2}d,\,180^{\circ},\,0^{\circ}\right)$, ${\bf m_{2}}=\left(6\times10^{-3}d,\,20^{\circ},\,180^{\circ}\right)$ respectively (blue arrows). The influence of the anomalies is negligible at distances $D\gtrsim4.5R$, where $B_{{\rm m}}/B_{{\rm d}}\approx m/d=2\times10^{-2}$ (top panel). For more details on the polar cap region see Figure <ref>. ~/Programs/studies/phd/lines/lines.py (plot_0943), 910 data sets [Zoom of the polar cap region [PSR B0943+10]]Zoom of the polar cap region of PSR B0943+10. See Figure <ref> for a description. ~/Programs/studies/phd/lines/lines.py (curvature_0943), 912 data set [Curvature of the open magnetic field lines [PSR B0943+10]]Dependence of a curvature of the open magnetic field lines on the distance from the stellar surface for PSR B0943+10. The distance is in units of stellar radius ($z_{6}=z/R$) and the curvature of the magnetic field lines is $\rho_{-6}=1/\Re_{6}=\rho/\left(10^{-6}\,{\rm cm}^{-1}\right)$. §.§ PSR B0950+08 Pulsar B0950+08 is one of the strongest pulsed radio sources in the metre wavelength range. The pulsar radiation also exhibits an interpulse located at $152^{\circ}$ from the main pulse [163]. Based on the period $P=1.1\,{\rm s}$ and its first derivative $\dot{P}_{-15}\approx3.5$, we can estimate the pulsar's characteristic age $\tau_{c}=17.5\,{\rm Myr}$. PSR B0950+08 has a relatively weak dipolar component of magnetic field $B_{{\rm d}}=0.5\times10^{12}$. For this pulsar the distance $D=0.26\,{\rm kpc}$ was estimated using the parallax method. PSR B0950+08 was detected in the ultraviolet-optical range ($2400-4600\,\AA$) by 144 with the Hubble Space Telescope. Further observations suggest that the optical radiation of the pulsar is most likely of a nonthermal origin [130, 193]. X-rays from PSR B0950+08 were first detected with the ROSAT by 116 ($\sim55$ source counts). Further X-ray observations revealed pulsations of the X-ray flux at the radio period of the pulsar [187]. The X-ray spectrum manifests two components (thermal and nonthermal). Which of the two components dominates the spectrum depends on the radiation pattern of the nonthermal component (isotropic or anisotropic). Due to the poor quality of the X-ray data, the connection of the optical and X-ray spectra remained unclear. ~/Programs/studies/phd/lines/lines.py (plot_b0950), 355, 356 data sets [Possible non-dipolar structure of the magnetic field lines [PSR B0950+08]]Possible non-dipolar structure of the magnetic field lines of PSR B0950+08. The structure was obtained using two crust anchored anomalies located at: ${\bf r_{1}}=\left(0.95R,\,4^{\circ},\,0^{\circ}\right)$, ${\bf r_{2}}=\left(0.95R,\,5^{\circ},\,180^{\circ}\right)$, with the dipole moments ${\bf m_{1}}=\left(5.9\times10^{-2}d,\,15^{\circ},\,0^{\circ}\right)$, ${\bf m_{2}}=\left(5.9\times10^{-2}d,\,140^{\circ},\,0^{\circ}\right)$ respectively (blue arrows). The influence of the anomalies is negligible at distances $D\gtrsim5.0R$, where $B_{{\rm m}}/B_{{\rm d}}\approx m/d=5.9\times10^{-2}$ (top panel). For more details on the polar cap region see Figure <ref>. ~/Programs/studies/phd/lines/lines.py (plot_b0950_zoom), 355 data set [Zoom of the polar cap region [PSR B0950+08]]Zoom of the polar cap region of PSR B0950+08. See Figure <ref> for a description. ~/Programs/studies/phd/lines/lines.py (curvature_b0959), 357 data set [Curvature of the open magnetic field lines [PSR B0950+08]]Dependence of a curvature of the open magnetic field lines on the distance from the stellar surface for PSR B0950+08. The distance is in units of stellar radius ($z_{6}=z/R$) and the curvature of the magnetic field lines is $\rho_{-6}=1/\Re_{6}=\rho/\left(10^{-6}\,{\rm cm}^{-1}\right)$. §.§ PSR B1133+16 Pulsar B1133+16 is one of the brightest pulsating radio sources in the Northern hemisphere [117]. The relatively long pulse period $P=1.19\,{\rm s}$ and its first derivative $\dot{P}_{-15}\approx3.5$ result in the following inferred physical properties: $B_{{\rm d}}=4.3\times10^{12}\,{\rm G}$, $\tau_{c}=5.04\,{\rm Myr}$. The pulsar profile exhibits a classic double peak along with the usual S-shaped polarisation-angle traverse. The pulsar also shows the phenomenon of drifting subpulses but only for some finite time-spans, outside of which the behaviour of individual pulses is chaotic [91]. PSR B1133+16 is located at a high galactic latitude, thus implying a low interstellar extinction [159]. 192 suggested a possible optical counterpart with brightness $B=28^{^{{\rm mag}}}$. X-ray observations performed by 104 with the Chandra result in a small number of counts ($33$ counts from over $17\,{\rm ks}$), thus the X-ray spectrum can be described by various models. The photon statistics are so low that they allowed only separate fits for the thermal (BB) and nonthermal (PL) components. ~/Programs/studies/phd/lines/lines.py (plot_1133), 340, 341 data sets [Possible non-dipolar structure of the magnetic field lines [PSR B1133+16]]Possible non-dipolar structure of the magnetic field lines of PSR The structure was obtained using two crust anchored anomalies located ${\bf r_{1}}=\left(0.95R,\,2^{\circ},\,0^{\circ}\right)$, ${\bf r_{2}}=\left(0.95R,\,5^{\circ},\,180^{\circ}\right)$, with the dipole moments ${\bf m_{1}}=\left(8\times10^{-3}d,\,20^{\circ},\,0^{\circ}\right)$, ${\bf m_{2}}=\left(8\times10^{-3}d,\,170^{\circ},\,0^{\circ}\right)$ respectively (blue arrows). The influence of the anomalies is negligible at distances $D\gtrsim4.2R$, where $B_{{\rm m}}/B_{{\rm d}}\approx m/d=5\times10^{-2}$ (top panel). For more details on the polar cap region see Figure <ref>. ~/Programs/studies/phd/lines/lines.py (plot_1133_zoom), 340 data set [Zoom of the polar cap region [PSR B1133+16]]Zoom of the polar cap region of PSR B1133+16. See Figure <ref> for a description. ~/Programs/studies/phd/lines/lines.py (curvature_1133), 343 data set [Curvature of the open magnetic field lines [PSR B1133+16]]Dependence of a curvature of the open magnetic field lines on the distance from the stellar surface for PSR B1133+16. The distance is in units of stellar radius ($z_{6}=z/R$) and the curvature of the magnetic field lines is $\rho_{-6}=1/\Re_{6}=\rho/\left(10^{-6}\,{\rm cm}^{-1}\right)$. §.§ PSR B1929+10 With a pulse period of $P=0.23\,{\rm s}$ and a period derivative of $\dot{P}_{-15}\approx1.2$, the pulsar's characteristic age is determined to be $\tau_{c}=3.1\,{\rm Myr}$. These spin parameters imply a dipolar component of the magnetic field at the neutron star magnetic poles $B_{{\rm d}}=1.0\times10^{12}$. The distance to the pulsar $D=0.36\,{\rm kpc}$ was estimated using the parallax. 144 identified a candidate optical counterpart of PSR B1929+10 with brightness $U\sim25.7^{^{{\rm mag}}}$, which was later confirmed by proper motion measurements performed by 130. The X-ray pulse profile of PSR B1929+10 consists of a single, broad peak which is in contrast with the sharp radio one of 132. The two-component spectral fit (BB+PL) suggests that both the thermal and nonthermal luminosities are of the same order. The derived surface temperature $T_{{\rm s}}=4.5\,{\rm MK}$ and the surface magnetic field $B_{{\rm s}}=1.3\times10^{14}\,{\rm G}$ do not coincide with the theoretical curve $T_{{\rm s}}-B_{{\rm s}}$ of the critical temperature calculated by 123. We believe that this inconsistency can be removed by adding an additional blackbody component (the whole surface or the warm spot radiation). ~/Programs/studies/phd/lines/lines.py (plot_1929), 322 +324 data sets [Possible non-dipolar structure of the magnetic field lines [PSR B1929+10]]Possible non-dipolar structure of the magnetic field lines of PSR The structure was obtained using two crust anchored anomalies located ${\bf r_{1}}=\left(0.95R,\,14^{\circ},\,180^{\circ}\right)$, ${\bf r_{2}}=\left(0.95R,\,0^{\circ},\,0^{\circ}\right)$, ${\bf r_{3}}=\left(0.95R,\,14^{\circ},\,0^{\circ}\right)$, with the dipole moments ${\bf m_{1}}=\left(1\times10^{-2}d,\,20^{\circ},\,180^{\circ}\right)$, ${\bf m_{2}}=\left(2\times10^{-2}d,\,180^{\circ},\,0^{\circ}\right)$, ${\bf m_{3}}=\left(3\times10^{-2}d,\,10^{\circ},\,0^{\circ}\right)$ respectively (blue arrows). The influence of the anomalies is negligible at distances $D\gtrsim4.5R$, where $B_{{\rm m}}/B_{{\rm d}}\approx m/d=3\times10^{-2}$ (top panel). For more details on the polar cap region see Figure <ref>. ~/Programs/studies/phd/lines/lines.py (plot_1929_zoom), 315 data sets [Zoom of the polar cap region [PSR B1929+10]]Zoom of the polar cap region of PSR B1929+10. See Figure <ref> for a description. ~/Programs/studies/phd/lines/lines.py (curvature_1929), 315 data set [Dependence of the curvature of open magnetic field lines [PSR B1929+10]]Dependence of a curvature of the open magnetic field lines on the distance from the stellar surface for PSR B1929+10. The distance is in units of stellar radius ($z_{6}=z/R$) and the curvature of the magnetic field lines is $\rho_{-6}=1/\Re_{6}=\rho/\left(10^{-6}\,{\rm cm}^{-1}\right)$. CHAPTER: PARTIALLY SCREENED GAP The charge-depleted inner acceleration region above the polar cap can be formed if a local charge density differs from the co-rotational charge density [70]. We assume that the crust of the neutron stars mainly consists of iron $\left({\rm _{26}^{56}Fe}\right)$ formed at the neutron star’s birth (e.g. 110). Depending on the mutual orientation of ${\bf \Omega}$ and $\boldsymbol{\mu}$, the stellar surface at the polar caps is either positively (${\bf \Omega}\cdot\boldsymbol{\mu}<0$) or negatively (${\bf \Omega}\cdot\boldsymbol{\mu}>0$) charged. Therefore, the charge depletion above the polar cap depends on the binding energy of either the positive ${\rm _{26}^{56}Fe}$ ions or electrons. In this thesis we consider the case of positively charged polar caps (${\bf \Omega}\cdot\boldsymbol{\mu}<0$). We assume that due to the high cohesive energy of iron ions, the positive charges cannot be supplied at a rate that would compensate for the inertial outflow through the light cylinder (see 121, 122, 64). This is actually possible if the surface temperature $T_{{\rm s}}$ is below the critical value $T_{{\rm crit}}$. Since the number density of the iron ions in the neutron star crust is many orders of magnitude larger than the co-rotational charge density (the so-called Goldreich-Julian density) $\rho_{{\rm GJ}}={\bf \Omega}\cdot{\bf B}/\left(2\pi c\right)$, then a thermionic emission from the polar cap surface is not simply described by the usual condition $\epsilon_{{\rm i}}\approx kT_{{\rm s}}$ , where $\epsilon_{i}$ is the cohesive energy and/or work function, $T_{{\rm s}}$ is the actual surface temperature, and $k$ is the Boltzman constant. The outflow of iron ions can be described in the form (65 and references therein) \begin{equation} \frac{\rho_{{\rm i}}}{\rho_{{\rm GJ}}}\approx\left(C_{{\rm i}}-\frac{\epsilon_{i}}{kT_{{\rm s}}}\right), \end{equation} where $\rho_{{\rm i}}\leq\rho_{{\rm GJ}}$ is the charge density of the outflowing ions. As soon as the surface temperature $T_{{\rm s}}$ reaches the critical value \begin{equation} T_{{\rm crit}}=\frac{\epsilon_{i}}{C_{{\rm i}}k}, \end{equation} the ion outflow reaches the maximum value $\rho_{{\rm i}}=\rho_{{\rm GJ}}$. The numerical coefficient $C_{{\rm i}}=30\pm3$ is determined from the tail of the exponential function with an accuracy of about 10%. Thus, for a given value of the cohesive energy, the critical temperature $T_{{\rm crit}}$ is also estimated within an accuracy of about 10%. The cohesive energy is mainly defined by the strength of the magnetic field and was calculated by 121, 122. § THE MODEL As it follows from the X-ray observations (see Section <ref>), the temperature of the hot spot (which is associated with the actual polar cap) is more than $10^{6}\,{\rm K}$. As we mentioned above, in order to sustain such a high temperature bombardment by the backstreaming particles is required. But particle acceleration (and therefore the surface heating) is possible only if $T_{{\rm s}}<T_{{\rm crit}}$. 65 introduced the model of the Partially Screened Gap to describe the polar gap sparking discharge specifically under such The PSG model assumes the existence of heavy iron ions (${\rm _{26}^{56}Fe}$) with a density near but still below the co-rotational charge density ($\rho_{{\rm GJ}}$), thus the actual charge density causes partial screening of the potential drop just above the polar cap. The degree of screening can be described by screening factor \begin{equation} \eta=1-\rho_{{\rm i}}/\rho_{{\rm GJ}}. \end{equation} where $\rho_{{\rm i}}$ is the charge density of the heavy ions in the gap. The thermal ejection of ions from the surface causes partial screening of the acceleration potential drop \begin{equation} \Delta V=\eta\Delta V_{{\rm max}},\label{eq:psg.d_v1} \end{equation} where $\Delta V_{{\rm max}}$ is the potential drop in a vacuum gap. We can express the dependence of the critical temperature on the pulsar parameters by fitting to the numerical calculations of 122 \begin{equation} T_{{\rm crit}}=1.6\times10^{4}\left\{ \left[\left(P\dot{P}_{-15}\right)^{0.5}b\right]^{1.1}+17.7\right\} ,\label{eq:psg.t_s} \end{equation} or $T_{{\rm crit}}=1.1\times10^{6}\left(B_{14}^{1.1}+0.3\right)$, where $B_{14}=B_{{\rm s}}/\left(10^{14}\,{\rm G}\right)$ , $B_{{\rm s}}=bB_{{\rm d}}$ is a surface magnetic field (applicable only if hot spot components are observed, i.e. $b>1$). The actual potential drop $\Delta V$ should be thermostatically regulated and a quasi-equilibrium state should be established in which heating due to the electron/positron bombardment is balanced by cooling due to thermal radiation (see 65 for more details). The necessary condition for this quasi-equilibrium state is \begin{equation} \sigma T_{{\rm s}}^{4}=\eta e\Delta Vcn_{{\rm GJ}},\label{eq:psg.heating_condition} \end{equation} where $\sigma$ is the Stefan-Boltzmann constant, $e$ - the electron charge, and $n_{{\rm GJ}}=\rho_{{\rm GJ}}/e=1.4\times10^{11}b\dot{P}_{-15}^{0.5}P^{-0.5}$ is the co-rotational number density. The Goldreich-Julian co-rotational number density can be expressed in terms of $B_{14}$ as \begin{equation} n_{{\rm GJ}}=6.93\times10^{12}B_{14}P^{-1}.\label{eq:psg.n_gj} \end{equation} Here we assume that the density of backstreaming relativistic electrons is $\eta n_{{\rm GJ}}$. By using Equations <ref>, <ref> and <ref> we can express the acceleration potential drop that satisfies the heating condition (Equation <ref>) as follows \begin{equation} \Delta V=7.3\times10^{5}\frac{\left(B_{14}^{1.1}+0.3\right)^{4}P}{\eta B_{14}}.\label{eq:psg.potential_heating} \end{equation} The above equation may suggest that the acceleration potential drop is inversely proportional to the screening factor. In fact, it is just the opposite (see Equations <ref> and <ref>). Knowing that $\Delta V=\gamma_{{\rm max}}mc^{2}/e$, where $m$ is the mass of a particle (electron or positron), we can calculate the maximum Lorentz factor of the primary particles in PSG as \begin{equation} \gamma_{{\rm max}}=450\frac{\left(B_{14}^{1.1}+0.3\right)^{4}P}{\eta B_{14}}. \end{equation} §.§ Acceleration potential drop As the actual polar cap is much smaller than the conventional polar cap (see section <ref>), we cannot use the approximation proposed by 156 that the gap height is of the same order as the gap width ($h\approx h_{\perp}$). On the contrary, the small polar cap size and subpulse phenomenon suggest that in the PSG model the spark half-width is considerably smaller than the gap height ($h_{\perp}<h$). For such a regime we need to recalculate a formula for the acceleration potential drop $\Delta V$. Let us consider a reference frame co-rotating with a star and with the z-axis aligned with the star's angular velocity ${\bf \Omega}$ (see Figure <ref>). [Co-rotating frame of reference (acceleration potential drop)]Co-rotating frame of reference with the z-axis aligned with the angular velocity ${\bf \Omega}$. The magnetic dipole moment $\boldsymbol{\mu}$ is constant in this frame of reference, thus $\partial{\bf B}/\partial t=0$. Let us underline that we will neglect the effects of non-inertiality of the co-rotating system. Thus, we assume that in any given moment we have a system moving with a constant velocity. In this co-rotating frame of reference we can write the spherical components of an angular velocity as follows \begin{equation} {\bf \Omega}=\left(\Omega\cos\theta,\,-\Omega\sin\theta,\,0\right). \end{equation} Gauss's law in the co-rotating frame (after Lorentz transformations) takes the form \begin{equation} \nabla\cdot{\bf E}=4\pi\rho\left({\bf r}\right)-4\pi\left(\frac{{\bf \Omega}\cdot{\bf B}}{2\pi c}\right).\label{eq:psg.divergence} \end{equation} While Faraday's law of induction can be written as \begin{equation} \nabla\times{\bf E}=0.\label{eq:psg.curl} \end{equation} Note that if we consider a drift of plasma in the Inner Acceleration Region (IAR), we should expect temporal variations of the magnetic field ($\nabla\times{\bf E}=-\partial{\bf B}/\left(c\partial t\right)$) [158], but as was shown by 178, even if we consider fluctuations of the electric current of the order of the Goldreich-Julian current $\rho_{{\rm GJ}}c$, the resulting variation of the magnetic field is so small that $\nabla\times{\bf E}=0$ with a high accuracy, and circulation of the non-co-rotational electric field along a closed path is zero. Equation <ref> in the spherical system of coordinates has the following form \begin{equation} \frac{2}{r}E_{r}+\frac{\partial E_{r}}{\partial r}+\frac{\cos\theta}{r\sin\theta}E_{\theta}+\frac{1}{r}\frac{\partial E_{\theta}}{\partial\theta}+\frac{1}{r\sin\theta}\frac{\partial E_{\phi}}{\partial\phi}=4\pi\rho\left(r,\theta,\phi\right)-4\pi\left(\frac{{\bf \Omega}\cdot{\bf B}}{2\pi c}\right). \end{equation} The PSG model assumes the existence of ions in the IAR region that affects the charge density. Using the screening factor, $\eta$, we can write that \[ \rho\left(r,\theta,\phi\right)=\left(1-\eta\right)\rho_{{\rm GJ}}\left(r,\theta,\phi\right)=\left(1-\eta\right)\frac{{\bf \Omega}\cdot{\bf B}}{2\pi c}. \] In general, $\eta$ depends on the curvature and strength of the magnetic field, thus it varies across the polar cap, but we can still assume that $\eta$ is approximately constant at least for a given spark. \begin{equation} \frac{2}{r}E_{r}+\frac{\partial E_{r}}{\partial r}+\frac{\cos\theta}{r\sin\theta}E_{\theta}+\frac{1}{r}\frac{\partial E_{\theta}}{\partial\theta}+\frac{1}{r\sin\theta}\frac{\partial E_{\phi}}{\partial\phi}=-4\pi\eta\left(\frac{B_{r}\Omega\cos\theta-B_{\theta}\Omega\sin\theta}{2\pi c}\right). \end{equation} Let us change the variables as follows: $r=R+z$ and $\theta=\alpha+\vartheta$. Here $R$ is the stellar radius and $\alpha$ is the inclination angle between the rotation and the magnetic axis. \begin{multline} \frac{2}{R+z}E_{r}+\frac{\partial E_{r}}{\partial z}+\frac{\cos\left(\alpha+\vartheta\right)}{\left(R+z\right)\sin\left(\alpha+\vartheta\right)}E_{\theta}+\frac{1}{R+z}\frac{\partial E_{\theta}}{\partial\vartheta}+\frac{1}{\left(R+z\right)\sin\left(\alpha+\vartheta\right)}\frac{\partial E_{\phi}}{\partial\phi}=\\ =-4\pi\eta\left(\frac{\left(B_{r}\Omega\cos\theta-B_{\theta}\Omega\sin\theta\right)}{2\pi c}\right).\label{eq:psg.potential_long} \end{multline} Assuming that $R\gg z$, which is correct as the gap height is less than the stellar radius ($h\ll R$), $\alpha\gg\vartheta$, and $B_{r}\gg B_{\theta}$, which is correct for the polar cap region, we can write Equation <ref> in the first approximation ($R\rightarrow\infty$) as follows \begin{equation} \frac{\partial E_{r}}{\partial z}+\frac{1}{R}\frac{\partial E_{\theta}}{\partial\vartheta}=-4\pi\eta\left(\frac{B_{r}\Omega\cos\theta}{2\pi c}\right).\label{eq:psg.potential_estiamte} \end{equation} Note that for spark widths considerably smaller than the stellar radius $h_{\perp}\ll R$ ($\Delta\vartheta\approx h_{\perp}/R$) we can write that $\frac{1}{R}\frac{\partial E_{\theta}}{\partial\vartheta}\gg\frac{\cot\left(\alpha+\vartheta\right)}{R}E_{\theta}$. Let us now consider Faraday's law (Equation <ref>). The curl of an electric field in spherical coordinates can be written \begin{equation} \begin{split}\left({\bf \nabla}\times{\bf E}\right)_{r}= & \frac{1}{r\sin\theta}\left(\frac{\partial}{\partial\theta}\left(E_{\phi}\sin\theta\right)-\frac{\partial E_{\phi}}{\partial\phi}\right)=0,\\ \left({\bf \nabla}\times{\bf E}\right)_{\theta}= & \frac{1}{r}\left(\frac{1}{\sin\theta}\frac{\partial E_{r}}{\partial\phi}-\frac{\partial}{\partial r}\left(rE_{\phi}\right)\right)=0,\\ \left({\bf \nabla}\times{\bf E}\right)_{\phi}= & \frac{1}{r}\left(\frac{\partial}{\partial r}\left(rE_{\theta}\right)-\frac{\partial E{}_{r}}{\partial\theta}\right)=0. \end{split} \label{eq:psg.curl_system} \end{equation} Using the same change of variables we performed above ($r=R+z$ and $\theta=\alpha+\vartheta$), the third equation of System <ref> can be written as \begin{equation} R\frac{\partial E_{\theta}}{\partial z}=\frac{\partial E_{r}}{\partial\vartheta}. \end{equation} From this equation in the zeroth approximation we can estimate the variations of the electric field components as \begin{equation} R\Delta E_{\theta}\Delta\vartheta\approx\Delta E_{r}\Delta z. \end{equation} Since $h_{\perp}\ll R$ we can write that \begin{equation} \left\langle h_{\perp}E_{\theta}\right\rangle =\left\langle hE_{r}\right\rangle =\Delta V.\label{eq:psg.potential_est2} \end{equation} From Equation <ref> we can also briefly estimate that \begin{equation} \frac{\Delta E_{r}}{h}+\frac{\Delta E_{\theta}}{h_{\perp}}=-4\pi\eta\left(\frac{B_{r}\Omega\cos\theta}{2\pi c}\right). \end{equation} Using Equations <ref> and <ref> we can write that \begin{equation} \frac{\left\langle hE_{r}\right\rangle }{h^{2}}+\frac{\left\langle h_{\perp}E_{\theta}\right\rangle }{h_{\perp}^{2}}=\frac{\Delta V}{h^{2}}+\frac{\Delta V}{h_{\perp}^{2}}. \end{equation} Finally, we can estimate the potential drop in a spark region \begin{equation} \frac{\Delta V}{h^{2}}+\frac{\Delta V}{h_{\perp}^{2}}=\frac{2\eta B_{r}\Omega\cos\left(\alpha+\vartheta\right)}{c}.\label{eq:psg.delta_v_h_hperp} \end{equation} If we use the same assumption as 156, i.e.: (1) the spark half-width is of the same order as the gap height $h_{\perp}=h$, (2) there is no ion extraction from the stellar surface ($\eta=1$), and (3) the pulsar magnetic and rotation axes are aligned ($\alpha=0^{\circ}$), we get: \begin{equation} \Delta V_{{\rm RS}}=\frac{B_{r}\Omega}{c}h^{2}. \end{equation} Note that the potential drop defined by Equation <ref> differs from that used in the Standard Model by the screening factor (as the presence of ions screens the gap) and by the factor of $\cos\left(\alpha+\vartheta\right)$ which also takes into account non-aligned pulsars. In our case the polar cap size is much smaller than the conventional polar cap size. It seems reasonable to also consider sparks with widths much smaller than the gap height ($h_{\perp}\ll h$), in that case the potential drop can be calculated as \begin{equation} \Delta V=\frac{2\eta B_{r}\Omega\cos\left(\alpha+\vartheta\right)}{c}h_{\perp}^{2}. \end{equation} Even for a relatively small inclination angle between the rotation and magnetic axis, we can still write $\vartheta\ll\alpha$, thus \begin{equation} \Delta V=\frac{4\pi\eta B_{r}\cos\alpha}{cP}h_{\perp}^{2}.\label{eq:psg.potential_drop} \end{equation} §.§ Acceleration path Since the exact dependence of the electric field on $z$ is unknown we use the same linear approximation that 156 used. In the frame of the PSG model as $h_{\perp}<h$ or even $h_{\perp}\ll h$, we can use Equations <ref> and <ref> to describe the component of the electric field along the magnetic field line: \begin{equation} E\approx\frac{8\pi\eta B_{{\rm s}}\cos\alpha}{cP}\frac{h_{\perp}^{2}}{h^{2}}\left(h-z\right),\label{eq:psg.acceleration_field} \end{equation} which vanishes at the top $z=h$. The Lorentz factor of particles after passing distance $l_{{\rm acc}}$ can be calculated as follows \begin{equation} \gamma_{{\rm acc}}=\frac{e}{mc^{2}}\int_{z_{1}}^{z_{2}}Edz\approx\frac{8\pi\eta B_{{\rm s}}e\cos\alpha}{mc^{3}P}\frac{h_{\perp}^{2}}{h^{2}}\left(z_{2}-z_{1}\right)\left(h-\frac{z_{1}+z_{2}}{2}\right), \end{equation} where $m$ is the mass of a particle (electron or positron) and $z_{2}-z_{1}=l_{{\rm acc}}$. Then we can approximate $z_{1}+z_{2}\approx h$, thus \begin{equation} l_{{\rm acc,ap}}=\frac{\gamma_{{\rm acc}}mc^{3}P}{4\pi\eta B_{{\rm s}}e\cos\alpha}\frac{h}{h_{\perp}^{2}}.\label{eq:psg.acceleration} \end{equation} Assuming that a non-relativistic particle is accelerated from the stellar surface ($z_{1}=0$, $\gamma_{0}=1$) we can calculate the distance $l_{{\rm acc}}$ which it should pass to gain a Lorentz factor $\gamma_{{\rm acc}}$: \begin{equation} l_{{\rm acc}}=h\left(1-\sqrt{1-\frac{2\gamma}{\ell}}\right),\label{eq:psg.acceleration-1} \end{equation} where $\ell=8\pi\eta B_{{\rm s}}eh_{\perp}^{2}\cos\left(\alpha\right)/\left(Pc^{3}m\right)$. Although the approximate formula <ref> is much more readable, in the calculations we use the exact value (see Equation <ref>) as for Lorentz factors that are considerably smaller than the maximum value, the discrepancy is about a factor of two, $l_{{\rm acc,ap}}\approx2l_{{\rm acc}}$. §.§ Electron/positron mean free path The mean free path of a particle (electron and/or positron) $l_{{\rm p}}$ can be defined as the mean length that a particle passes until a $\gamma$-photon is emitted. In the case of the CR particle, mean free path can be estimated as a distance that a particle with a Lorentz factor $\gamma$ travels during the time which is necessary to emit a curvature photon (see 190) \begin{equation} l_{{\rm CR}}\sim c\left(\frac{P_{{\rm CR}}}{E_{\gamma,{\rm CR}}}\right)^{-1}=\frac{9}{4}\frac{\hbar\Re c}{\gamma e^{2}},\label{eq:psg.le_cr} \end{equation} where $P_{{\rm CR}}=2\gamma^{4}e^{2}c/3\Re^{2}$ is the power of CR, $E_{\gamma,{\rm CR}}=3\hbar\gamma^{3}c/2\Re$ is the photon characteristic energy, and $\Re$ is the curvature radius of the magnetic field lines. For the ICS process calculation of the particle mean free path $l_{{\rm ICS}}$ is not as simple as that of the CR process. Although we can define $l_{{\rm ICS}}$ in the same way that we defined $l_{{\rm CR}}$, it is difficult to estimate the characteristic frequency of emitted photons. We have to take into account photons of various frequencies with various incident angles. An estimation of the mean free path of an electron (or positron) to produce a photon is in 184 \begin{equation} l_{{\rm ICS}}\sim\left[\int_{\mu_{0}}^{\mu_{1}}\int_{0}^{\infty}\sigma^{\prime}\left(\epsilon,\mu\right)\left(1-\beta\mu_{i}\right)n_{{\rm ph}}\left(\epsilon\right)d\epsilon d\mu\right]^{-1}.\label{eq:psg.le_ics} \end{equation} Here $\epsilon$ is the incident photon energy in units of $mc^{2}$, $\mu=\cos\psi$ is the cosine of the photon incident angle, $\beta=v/c$ is the velocity in terms of speed of light, $\sigma^{\prime}$ is the cross section of ICS in the particle rest frame, \begin{equation} n_{{\rm ph}}\left(\epsilon,\, T\right)d\epsilon=\frac{4\pi}{\lambda_{c}^{3}}\frac{\epsilon^{2}}{\exp\left(\epsilon/\mho\right)-1}d\epsilon\label{eq:psg.nph} \end{equation} represents the photon number density distribution of semi-isotropic blackbody radiation, $\mho=kT/mc^{2}$, $k$ is the Boltzmann constant, and $\lambda_{c}=h/mc=2.424\times10^{-10}$ cm is the electron Compton wavelength. A detailed description of how to calculate $\sigma^{\prime}$ can be found in Section <ref>. We should expect two modes of ICS: resonant and thermal-peak (see Section <ref> for more details). The Resonant ICS (RICS) takes place if the photon frequency in the particle rest frame is equal to the electron cyclotron frequency. As shown in Section <ref>, the particle mean free path strongly depends on the distance from the polar cap. Both the photon density and incident angles ($\mu_{0}$ and $\mu_{1}$) change with increasing altitude. In our calculations we take into account both of those effects, thus we replace $n_{{\rm ph}}\left(\epsilon,\, T\right)$, $\mu_{0}$ and $\mu_{1}$ with $n_{{\rm sp}}\left(\epsilon,\, T,\, L\right)$, $\mu_{{\rm min}}$$\left(L\right)$ and $\mu_{{\rm max}}\left(L\right)$, respectively (for more details see Section <ref>). Here, $L$ is the location of the particle, $n_{{\rm sp}}\left(\epsilon,\, T,\, L\right)$ is the photon density at location $L$, and $\mu_{{\rm min}}\left(L\right)$ and $\mu_{{\rm max}}$$\left(L\right)$ correspond to the highest and lowest angle between the photons and particle at a given location $L$. Thus, just above the polar cap for RICS the mean free path of outflowing positrons is: \begin{equation} l_{{\rm RICS}}\approx\left[\int_{\mu_{{\rm min}}\left(L\right)}^{\mu_{{\rm max}}\left(L\right)}\int_{\epsilon_{_{{\rm res}}}^{{\rm ^{min}}}}^{\epsilon_{_{{\rm res}}}^{{\rm ^{max}}}}\left(1-\beta\mu\right)\sigma^{\prime}\left(\epsilon,\mu\right)n_{{\rm sp}}\left(\epsilon,\, T,\, L\right)d\epsilon d\mu\right]^{-1},\label{eq:cascade.ics_free_path-1} \end{equation} where the limits of integration over energy, $\epsilon_{{\rm _{res}}}^{{\rm ^{min}}}$ and $\epsilon_{{\rm _{res}}}^{^{{\rm max}}}$, are chosen to cover the resonant energy (for more details see Section <ref>). The thermal-peak ICS (TICS) includes all scattering processes of photons with frequencies around the maximum of the thermal spectrum. As an example we adopt $\epsilon_{_{{\rm th}}}^{{\rm ^{min}}}\approx0.05\epsilon_{{\rm _{th}}}$, and $\epsilon_{_{{\rm th}}}^{{\rm ^{{\rm max}}}}\approx2\epsilon_{_{{\rm th}}}$ where $\epsilon_{_{{\rm th}}}=2.82kT/\left(mc^{2}\right)$ is the energy, in units of $mc^{2}$, at which blackbody radiation with temperature $T$ has the largest photon number density. The electron/positron mean free path for the TICS process is \begin{equation} l_{{\rm TICS}}\approx\left[\int_{\mu_{{\rm min}}\left(L\right)}^{\mu_{{\rm max}}\left(L\right)}\int_{\epsilon_{_{{\rm th}}}^{{\rm ^{min}}}}^{\epsilon_{_{{\rm th}}}^{{\rm {\rm ^{max}}}}}\left(1-\beta\mu\right)\sigma^{\prime}\left(\epsilon,\mu\right)n_{{\rm ph}}\left(\epsilon,\, T,\, L\right)d\epsilon d\mu\right]^{-1}.\label{eq:cascade.t_ics-1} \end{equation} §.§ Photon mean free path The photons with energy $E_{\gamma}>2mc^{2}$ propagating obliquely to the magnetic field lines can be absorbed by the field, and as a result, an electron-positron pair is created. To describe the strength of the magnetic field we use $\beta_{q}=B/B_{q}$, where $B_{q}=m^{2}c^{3}/e\hbar=4.413\times10^{13}\,{\rm G}$ is the critical magnetic field strength. For strong magnetic fields ($\beta_{q}\gtrsim0.2$, see Section <ref>) the photon mean free path can be calculated as (see Section <ref> for more details) \begin{equation} l_{{\rm ph}}\approx\Re\frac{2mc^{2}}{E_{\gamma}},\label{eq:psg.l_ph} \end{equation} while for weaker magnetic fields ($\beta_{q}\lesssim0.2$) we can use an asymptotic approximation derived by 55 \begin{equation} l_{{\rm ph}}=\frac{4.4}{(e^{2}/\hbar c)}\frac{\hbar}{mc}\frac{B_{q}}{B\sin\Psi}\exp\left(\frac{4}{3\chi}\right),\label{eq:psg.l_ph2} \end{equation} \begin{equation} \chi\equiv\frac{E_{\gamma}}{2mc^{2}}\frac{B\sin\Psi}{B_{q}}\hspace{1cm}(\chi\ll1), \end{equation} where $\Psi$ is the angle of intersection between the photon and the local magnetic field. § GAP HEIGHT By knowing the acceleration potential drop in PSG $\Delta V$ we can evaluate the gap height $h$ and the screening factor $\eta$, which actually depends on the details of the avalanche pair production in the gap. First, we need to determine which process, Curvature Radiation (CR) or Inverse Compton Scattering (ICS), is responsible for the $\gamma$-photon generation in the gap region. In order to identify the proper process we need the following parameters: $l_{{\rm acc}}$ - the distance which a particle should pass to gain the Lorentz factor $\gamma_{{\rm acc}}$, $l_{{\rm p}}$ - the mean length a particle (electron and/or positron) travels before a $\gamma$-photon is emitted, and $l_{{\rm ph}}$ - the mean free path of the $\gamma$-photon before being absorbed by the magnetic field. As mentioned above, PSG can exist if Equation <ref> is satisfied. On the other hand, in order to heat the polar cap surface to high enough temperatures the high enough flux of back-streaming particles is required. By using Equations <ref> and <ref> we can find the relationship between the screening factor, the spark half-width and pulsar parameters \begin{equation} \eta h_{\perp}=4.17\frac{\left(B_{14}^{1.1}+0.3\right)^{2}P}{B_{14}\sqrt{\left|\cos\alpha\right|}}.\label{eq:psg.eta_hperp} \end{equation} Thus, for specific pulsar parameters we can define a product of the two main parameters of PSG, namely the screening factor $\eta$ and the spark half-width $h_{\perp}$. §.§ Particle mean free paths, CR vs. ICS gap The Figure <ref> shows the dependence of particle mean free paths on the Lorentz factor $\gamma$ for some pulsar parameters (the dependence on pulsar parameters will be discussed in Section <ref>). Let us note that these free paths do not depend on the gap height $h$ (see Equations <ref>, <ref> and <ref>). The results presented in the Figure do not allow to define the gap height unambiguously. However, we can find which process is responsible for generation of the $\gamma$-photon in PSG. For narrow sparks the acceleration potential drop decreases, and as a result the Lorentz factor of the primary particles is about $\gamma\sim10^{3}-10^{4}$. In this regime $l_{{\rm ICS}}\ll l_{{\rm CR}}$, so the gap will be dominated by ICS. Thus, ICS will dominate the gap if deceleration due to Inverse Compton Scattering prevents further acceleration by the electric field. Let us remember that ICS is not efficient for particles with the Lorentz factor $\gamma\gtrsim10^{5}$. If the sparks are wider or $\eta\approx1$, the acceleration potential drop increases and the Lorentz factors of primary particles reach values about $\gamma\sim10^{5}-10^{6}$. In this regime the $\gamma$-photon emission is dominated by CR. Let us note that the condition $l_{{\rm ICS}}\ll l_{{\rm CR}}$ is satisfied for particles with $\gamma\sim10^{3}-10^{4}$, as one can see from Figure <ref> (panel a), but this does not mean that the ICS event happens. Since $l_{{\rm acc}}\ll l_{{\rm ICS}}$, the particles will be accelerated to higher energies ($\gamma\sim10^{5}-10^{6}$) before they upscatter the X-ray photons. Thus, the particles start emission of $\gamma$-photons (via CR) as soon as condition $l_{{\rm acc}}\approx l_{{\rm CR}}$ is met. ~Programs/magnetic/magnetic/src/radiation/gap.py (le_gamma_phd) [Dependence of the mean free path of the primary particle [CR + ICS]]Dependence of the mean free path of the primary particle on Lorentz factor $\gamma$ for both the CR and ICS processes. Panel (a) corresponds to calculations for a relatively higher potential drop (e.g. a wider spark with $h_{\perp}=3\,{\rm m}$ and $\eta=1$), while panel (b) corresponds to calculations for a relatively lower potential drop (e.g. a narrow spark with $h_{\perp}=1\,{\rm m}$ and $\eta=0.1$). The acceleration paths on both panels were calculated for the same pulsar parameters ($B_{14}=3.5$, $T_{6}=4.4$, $\Re_{6}=1$, $P=1$, $\alpha=10^{\circ}$). Note that for the RICS process the particle mean free paths were calculated for optimal conditions (just above the polar cap). §.§ Possible scenarios of the gap breakdown: PSG-on and PSG-off modes As is seen from Figures <ref> and <ref>, in the CR-dominated gap the primary particle should travel a distance comparable with gap height $l_{{\rm acc}}\approx h/2$ in order to gain an energy corresponding to the characteristic Lorentz factor $\gamma_{{\rm c}}^{{\rm ^{CR}}}$. On the other hand, the primary particles in the ICS-dominated gap reach a characteristic value $\gamma_{{\rm c}}^{{\rm ^{ICS}}}$ at altitudes that are considerably smaller than gap height $l_{{\rm acc}}\ll h$ (see Figures <ref> and <ref>). Thus, $\gamma_{{\rm c}}^{{\rm ^{CR}}}\approx10^{6}\approx\gamma_{{\rm max}}$ is about three orders of magnitude higher than $\gamma_{{\rm c}}^{^{{\rm ICS}}}\approx10^{3}\ll\gamma_{{\rm max}}$, here $\gamma_{{\rm max}}$ is the value of the Lorentz factor after the particle travels a distance $h$. Furthermore, the characteristic energy of CR photons is considerably smaller than the energy of emitting (primary) particles, e.g. for $\gamma=10^{6}$, $\Re_{6}=1$, $\gamma_{{\rm sec}}\approx10^{2}$. On the other hand, RICS photons upscattered in an ultrastrong ($B>B_{{\rm crit}}$) magnetic field gain a significant part of the energy of the scattering (primary) particle. Therefore, the electron/positron pair created by the RICS photon has energies comparable with the energy of the scattering (primary) particle. This will essentially influence the multiplicity $M_{{\rm pr}}$ in the ICS gap, as all the newly created particles will participate in further cascade pair-production. Additionally, RICS in ultrastrong magnetic fields produces approximately the same amount of photons with $\parallel$ and $\perp$ polarisation (see Section <ref>), while most of the photons produced by CR are $\parallel$-polarised (see Section <ref>). Splitting of the $\perp$-polarised photons will increase the photon mean free path, but it will also increase the multiplicity in the ICS gaps. Figure <ref> presents a sketch of a cascade formation for CR- and ICS-dominated gaps. The CR photons are emitted in the upper half of the gap. Most of these photons produce pairs at about the same height, in the region where the acceleration potential is almost equal to zero, hereinafter we will call this region the Zero-Potential Front (ZPF). The newly created particles have much lower Lorentz factors as compared with the primary particle, thus they are not able to emit CR photons. [Sketch of the differences in a cascade formation [CR- and ICS-dominated gaps]]Sketch of differences in a cascade formation for the CR-dominated gap (left panel) and the ICS-dominated gap (right panel). In order to increase readability, only a few points (filled circles) are shown which correspond to altitudes where $\gamma$-photons are emitted. The unfilled circles correspond to places where $\gamma$-photons are also emitted, but those photons (and their evolution) are not included in the diagram. Note that for the ICS-dominated gap we plot only the bottom (active) part of the gap ($z\ll h_{{\rm ICS}}$), furthermore, points of radiation are tracked only for the first population of newly created particles. The avalanche nature of the ICS-dominated gap will result in a much higher multiplicity and continuous backflow of relativistic particles. Figure <ref> presents the primary particle evolution and photon mean free paths of $\gamma$-rays produced in the CR-dominated gap. As can be seen, the first $\gamma$-photon produces a pair approximately at the same time (and same place) as the primary particle reaches ZPF. Thus, the multiplicity in a gap region (the number of particles created by a single primary particle) in the CR scenario is strictly related to the number of photons produced by the primary particle $M_{{\rm CR}}\approx2\times N_{{\rm ph}}^{{\rm ^{CR}}}$. (find_solution_cr_psgoff_plot ,plot_solution_cr, plot_solution_acr, $n_{end}=50$ $B_{14}=2.3$, $B_{{\rm d}}=0.02978$, $T_{6}=3.0$, $P=1.273768291578$, $\Re_{6}=0.5$, $\alpha=60.7^{\circ}$ [Cascade formation for a CR-dominated gap]Cascade formation for a CR-dominated gap. Blue lines represent the mean free path of $\gamma$-photons. The filled circles correspond to places of $\gamma$-photon emission. Panel (a) includes the free paths of $\gamma$-photons which produce pairs below ZPF (red circles) while panel (b) includes the free paths of $\gamma$-photons which produce pairs above the acceleration gap (blue circles). The results were obtained using the following parameters: $N_{{\rm ph}}^{^{{\rm CR}}}=50$, $B_{{\rm s}}=2.3\times10^{14}\,{\rm G}$, $B_{{\rm d}}=2.9\times10^{14}\,{\rm G}$, $T_{}=3\,{\rm MK}$, $P=1.3\,{\rm s}$, $\Re_{6}=0.5$, and $\alpha=60.7^{\circ}$. The energy of $\gamma$-photons produced by ICS depends on the Lorentz factor of the primary particles and on the strength of the magnetic field. In ultrastrong magnetic fields the energy of newly created particles is comparable with the energy of the scattering particle $\gamma_{{\rm new}}\approx\gamma_{{\rm c}}/2$. Figure <ref> shows schematically the locations at which $\gamma$-photons are emitted by ICS. The first $\gamma$-photon is produced already at altitudes of about a few metres and then converted to an electron-positron pair well below ZPF. Note that already at relatively low altitudes ($z\gtrsim100\,{\rm m}$) the photon density decreases rapidly (see Section <ref>), furthermore, the small size of the polar cap entails a rapid change of the particle-photon incident angles (see Section <ref>). Those two effects make the ICS process significant only in the lower parts of the gap ($z\lesssim20\,{\rm m}$). On the other hand, the multiplicity in the ICS-dominated gap is enhanced by all newly created particles which are created in the lower part of the gap. Furthermore, the ICS is more effective for backstreaming particles (see Figure <ref>), thus most of the $\gamma$-photons in the gap region will be created by scatterings on electrons. For the ICS scenario it is not possible to evaluate a simple expression for the multiplicity produced by a single primary particle in a gap region. Furthermore, it is not possible to determine the actual value of $N_{{\rm ph}}$ required to break the gap (both for CR and ICS) without a full cascade (read_data(910), find_solution_hperp(200.), plot_solution() [Cascade formation for an ICS-dominated gap]Cascade formation for an ICS-dominated gap. Blue lines represent the mean free path of $\gamma$-photons. The filled circles correspond to places of $\gamma$-photon emission. The results were obtained using the following parameters: $N_{{\rm ph}}^{^{{\rm ICS}}}=15$, $B_{{\rm s}}=2.3\times10^{14}\,{\rm G}$, $B_{{\rm d}}=2.9\times10^{14}\,{\rm G}$, $T_{{\rm s}}=3\,{\rm MK}$, $P=1.3\,{\rm s}$, $\Re_{6}=0.5$, and The differences between the CR and ICS gaps that we mention above have drastic consequences on the cascade formation process. Since the cooling time of the hot spot is very short ($\tau_{{\rm cool}}\lesssim10^{-8}\,{\rm s}$ , see 65), to sustain the hot spot temperature just below the critical temperature a continuous backflow of relativistic particles is required. An energetic enough flux of backstreaming particles can be produced only in ICS-dominated gaps. The heating of the surface will sustain the outflow of iron ions from the crust, maintaining $\eta<1$, hence we call this mode the PSG-on mode. As the temperature of the polar cap is in quasi equilibrium with the backstreaming particles (temperature is close to the critical value) the gap can break only due to production of a dense enough plasma $n_{p}\gg\eta n_{{\rm GJ}}$ in the gap region. The multiplicity in the PSG-on mode is much higher than the multiplicity of CR-dominated gaps. Moreover, in the gap dominated by CR the particles are created in a cloud-like fashion (see Figure <ref>). The successive clouds heat up the surface once per $\tau_{{\rm 0}}\approx2h/c$, which for a typical gap height $h\approx100\,{\rm m}$ is much longer than the time needed for the surface to cool down $\tau_{{\rm 0}}\approx6\times10^{-7}\gg\tau_{{\rm cool}}$. Therefore, in the CR-dominated gaps the backstreaming particles cannot sustain the temperature that is close to the critical value during $\tau_{{\rm 1}}\gg\tau_{0}\gg\tau_{{\rm cool}}$, thus for most of the time the screening factor is $\eta\approx1$ and we call this mode the PSG-off mode. The low multiplicity of a cascade in the PSG-off mode can cause that the gap to breakdown only due to overheating of the surface, but not due to production of a dense enough plasma. The growth of particle density will continue to the point when the backstreaming particles heat up the surface to a temperature equal to or higher than the critical temperature, $\tau_{{\rm heat}}\gg\tau_{0}$. Let us note that the primary particles in the PSG-off mode are very energetic $\gamma\approx10^{6}$, and hence the density of particles required to close gap $\rho_{c}$ is much lower than the Goldreich-Julian density. To describe this difference we use the overheating parameter $\kappa=\rho_{c}/\rho_{{\rm GJ}}$. Knowing that in the PSG-off mode $\eta\approx1$, we use Equation <ref> and the relation $\Delta V=\gamma_{{\rm acc}}mc^{2}/e$ to calculate the overheating parameter: \begin{equation} \kappa=\frac{\sigma\, T^{4}}{n_{{\rm GJ}}\,\gamma_{{\rm max}}\, mc^{3}}.\label{eq:psg.overheating_parameter} \end{equation} §.§ PSG-off mode Curvature emission by a primary particle is effective for Lorentz factors $\gamma\gtrsim10^{5}$ (when $l_{{\rm CR}}\leq l_{{\rm acc}}$). An equilibrium between acceleration and deceleration (by reaction force) would be established if the CR power were equal to the ”electric power”. In our case ($\Re_{6}\approx1$, $\gamma_{{\rm c}}\approx10^{6}$), the reaction force is not high enough to stop acceleration by the electric field. In the PSG-off mode the spark region is free from ions ($\eta\approx1$), thus the heating condition (Equations <ref> and <ref>) is no longer satisfied. Taking into account the curvature of magnetic field lines just above the stellar surface, we can estimate the dependence of the minimum spark half-width on the gap height (see Figure <ref>): \begin{equation} h_{\perp}^{{\rm ^{min}}}=\Re-\sqrt{\Re^{2}-h^{2}}.\label{eq:psg.hperp_min} \end{equation} Figure <ref> presents the minimum spark half-width for three different radii of curvature: $\Re_{6}=0.1$, $\Re_{6}=0.5$, $\Re_{6}=1$. Note that as long as the gap height does not exceed some specific value ($h\approx40\,{\rm m}$, $h\approx100\,{\rm m}$, $h\approx140\,{\rm m}$, respectively for the given curvature radii) the minimum spark half-width is well below $1\,{\rm m}$. [Diagram of the minimum spark half-width]Diagram of the minimum spark half-width $h_{\perp}^{{\rm ^{min}}}$ for a given gap height $h$ and a radius of curvature $\Re$. [Minimum spark half-width vs. the gap height]Minimum spark half-width vs. gap height calculated for three different radii of curvature: $\Re_{6}=0.1$ - red solid line, $\Re_{6}=0.5$ - green dashed line, and $\Re_{6}=1$ - blue dotted line. On the other hand, we can estimate the acceleration potential $\Delta V$ (and thus the spark half-width $h_{\perp}^{^{{\rm N_{{\rm ph}}}}}$) required to produce a specified number of photons $N_{{\rm ph}}^{^{{\rm CR}}}$ within a gap. Figure <ref> presents the dependence of both $h_{\perp}^{^{{\rm min}}}$ and $h_{\perp}^{{\rm ^{N_{{\rm ph}}}}}$ on the gap height. As results from the Figure, the gap height in PSG-off does not change drastically with $N_{{\rm ph}}^{^{{\rm CR}}}$, and for these specific parameters of a pulsar it is $h\approx240\,{\rm m}$. For historical reasons, hereafter unless stated otherwise, we will use $N_{{\rm ph}}^{^{{\rm CR}}}=50$ to calculate the gap parameters of the PSG-off mode. Note that in order to find the gap height, we assume $h_{\perp}^{^{{\rm min}}}=h_{\perp}^{^{N_{{\rm ph}}}}$, which results in a gap that allows both overheating of the entire spark surface by backstreaming particles and the creation of the required number of photons $N_{{\rm ph}}^{^{{\rm CR}}}$. (show_solution_cr_psgoff, plot_psgoff_cr (or just this to use files) $B_{14}=2.3$, $B_{{\rm d}}=0.02978$, $T_{6}=3.0$, $P=1.291578$, $\Re_{6}=1.0$, $\alpha=60.7^{\circ}$) [Dependence of a spark half-width on the gap height [PSG-off mode]]Dependence of a spark half-width on the gap height for the PSG-off mode. The results were obtained using the following pulsar parameters: $B_{14}=2.3$, $T_{6}=3.0$, $P=1.3\,{\rm s}$, $\Re_{6}=1.0$, $\alpha=60.7^{\circ}$. In our calculations we use the algorithm presented in Figure <ref> to find the gap height in the PSG-off mode for given pulsar parameters: a pulsar period $P$, a pulsar inclination angle $\alpha$, a surface magnetic field strength $B_{{\rm s}}$, and a curvature radius of field lines $\Re$. [Flowchart of the algorithm used to estimate the gap height [PSG-off mode]]Flowchart of the algorithm used to estimate the gap height in the PSG-off mode. The initial gap height from which we begin our calculations is an arbitrary set to $h_{{\rm init.}}=10\,{\rm m}$, while the step $\Delta h$ depends on the required accuracy. The number of $\gamma$-ray photons created in a spark by a single primary particle is set to $N_{{\rm ph}}^{{\rm ^{CR}}}=50$ (see text for more details). Figure <ref> presents the result of finding the gap height in the PSG-off mode for PSR B0943+10. The presented solution corresponds to the magnetic field structure presented in Section <ref>. The average radius of curvature in the gap region is relatively high, $\Re_{6}=0.7$, hence the inclination of the gap region. The polar gap conditions, the strength of magnetic field $B_{14}=2.4$ ($R_{{\rm bb}}=17\,{\rm m}$) and the polar cap temperature $T_{6}=3.0$ were restrained to follow the observed values (see Table <ref>). The presented solution corresponds to the following PSG parameters: gap height $h=166\,{\rm m}$, spark half-width $h_{\perp}=1.9\,{\rm m}$, $\eta=1$ (fixed), $\kappa=7\times10^{-3}$, $\gamma_{{\rm c}}=1.4\times10^{6}$. Note that the primary particles will gain $\gamma_{{\rm max}}=1.9\times10^{6}$ as the CR efficiency is not high enough to stop the acceleration. (plot_cr), set_=318, ds=1e2 [Gap structure in the PSG-off mode [PSR B0943+10]]Gap structure in the PSG-off mode for PSR B0943+10. Filled columns represent the locations and sizes of the active regions of sparks. Here we assumed that the active region of a spark (the place where acceleration is high enough to produce a cascade) has a size comparable with the spark half-width. The iron ions extracted from the surface (due to a high surface temperature) are represented by circle-plus §.§ PSG-on mode In the PSG-on mode, radiation of the surface just below the spark is in quasi-equilibrium with the flux of backstreaming particles. When the surface temperature rises, the density of iron ions increases, thus resulting in a decrease in the potential drop, which in turn, reduces the flux of backstreaming particles. On the other hand, when the surface temperature decreases it entails the drop of iron ion density and, consequently, an increase in the flux of backstreaming particles. Thus the polar cap temperature is maintained slightly below the critical value. This quasi-equilibrium state prevents the gap breakdown due to surface overheating. However, a high multiplicity in the PSG-on mode leads to a production of dense plasma. When the density of the plasma $n_{p}\gg\eta n_{{\rm GJ}}$, the acceleration potential drop will be completely screened due to charge separation. Alongside the pulsar parameters the gap height in the PSG-on mode also depends on the spark half-width $h_{\perp}$ and on the number of scatterings by the first population of newly created particles $N_{{\rm ph}}^{{\rm ^{ICS}}}$. For a sample of pulsars we can use drift information to put constraints on the spark half-width (see Section <ref>). Figure <ref> presents the procedure of finding the gap height in the PSG-on mode for the following pulsar parameters: a pulsar period $P$, a pulsar inclination angle $\alpha$, a surface magnetic field strength $B_{{\rm s}}$, a surface temperature $T_{{\rm s}}$, a curvature radius of magnetic field lines $\Re$, and a spark half-width $h_{\perp}$. First we use Equation <ref> to estimate the screening factor $\eta$ which defines the electric field, and thus the particle acceleration. Then we estimate the number of scatterings for a single outflowing particle $N_{{\rm ph}}^{{\rm ^{pr}}}$ for the initial gap height. The initial gap height from which we begin our calculations is an arbitrary set to $h_{{\rm init.}}=10\,{\rm m}$. We track the propagation of $\gamma$-photons produced by ICS on a primary particle to find the location $L_{{\rm new}}$ where pairs are created. Then we calculate their propagation through the acceleration region and we estimate the number of scatterings by every newly created particle of the first population $N_{{\rm ph}}^{{\rm ^{new}}}$. If the total number of scatterings by the first population (including the primary particle) is $N_{{\rm ph}}<N_{{\rm ph}}^{{\rm ^{ICS}}}$ , we resume our calculations assuming a higher gap until the $N_{{\rm ph}}\geq N_{{\rm ph}}^{{\rm ^{ICS}}}$ is met. [Flowchart of the algorithm used to estimate the gap height [PSG-on mode]]Flowchart of algorithm used to estimate the gap height in PSG-on mode for a given spark half-width (see text for more details). As a result we obtain the gap parameters: the gap height $h$, the screening factor $\eta$, the characteristic Lorentz factor of a particle at the moment of ICS photon emission $\gamma_{{\rm c}}$, the maximum value of the Lorentz factor $\gamma_{{\rm max}}$, and the characteristic Lorentz factor of iron ions $\gamma_{{\rm i}}$. In our calculations, if not stated otherwise, we use $N_{{\rm ph}}^{^{{\rm ICS}}}=25$ to calculate the gap parameters of the PSG-on mode. Note that in this approximation we take into account only the first population of newly created particles. In fact, the avalanche nature of the ICS-dominated gap will result in a much higher multiplicity than in the PSG-off mode $M_{{\rm ICS}}\gg M_{{\rm CR}}$. For details of particle/photon propagation, see Chapter <ref>. Subpulse drift observations are available only for a few X-ray pulsars with the hot spot component. Thus, to find the approximate gap parameters for pulsars without the predicted spark half-width we use $h_{\perp}=2\,{\rm {\rm m}}$. Figure <ref> presents the result of finding the gap height in the PSG-on mode for PSR B0943+10. In this model the gap parameters, such as the magnetic field strength $B_{{\rm s}}$ and the surface temperature $T_{{\rm s}}$, were restrained to follow the observed values (see Table <ref>). The result was obtained for the non-dipolar structure of a surface magnetic field presented in Section <ref> and for the predicted value of a spark half-width $h_{\perp}\approx2\,{\rm m}$ (see Table <ref>). The height required to produce $N_{{\rm ph}}^{{\rm ^{ICS}}}=25$ photons by the first population of particles was estimated as $h\approx92\,{\rm m}$. Other gap parameters for this solution can be found in Table <ref>. (plot_ics, 2, old in 0) [Gap structure in the PSG-on mode [PSR B0943+10]]Gap structure in the PSG-on mode for PSR B0943+10. Filled columns represent the locations and sizes of the active regions of sparks. Here we assumed that the active region of a spark (the place where acceleration is high enough to produce a cascade) has a size comparable with the spark half-width. The iron ions extracted from the surface (due to a high surface temperature) are represented by circle-plus symbols. Note that iron ions are present in both the non-active and active regions. The density of ions in the non-active regions is so high that it prevents cascade formation of pairs. §.§ Results In Table <ref> we present the results of finding the gap height for the sample of pulsars. For the PSG-on mode we show the estimated PSG parameters found using the predicted spark half-width and the spark half-width $h_{\perp}=2\,{\rm m}$. The only exception is Geminga (PSR J0633+1746), for which drift information is not available and we can only present calculations for $h_{\perp}=2\,{\rm m}$. For PSR B0628-28 the predicted spark half-width is large ($h_{\perp}=3.9\,{\rm m}$), which entails a high acceleration potential. For such wide sparks it is not possible to find the PSG-on solution with the required number of scatterings $N_{{\rm ph}}^{^{{\rm ICS}}}$. We believe that for this specific pulsar the predicted spark half-width is overestimated. Actually, if a spark is narrower ($h_{\perp}=2\,{\rm m}$), it can operate in the PSG-on mode (see Table <ref>). This result may suggest that for this specific pulsar the parameters of the subpulse phenomenon could be overestimated (e.g. due to aliasing). On the other hand, X-ray observations of Geminga suggest a relatively low temperature of the hot spot ($T_{{\rm s}}\approx1.9\,{\rm MK}$). The low density of the background photons requires the formation of narrow sparks ($h_{{\rm \perp}}=1\,{\rm m}$) to allow the gap to operate in the PSG-on mode. We believe that the relatively large hot spot ($R_{{\rm pc}}=44.5\,{\rm m}$) of Geminga causes the width of the sparks to grow so fast that it can operate only in the PSG-off mode. We believe that this can explain the very weak radio luminosity of the Geminga pulsar. Results from results.log. files in: 403 (PSR B0628-28), 373 (PSR J0633+1746), 383 (PSR B0834+06), 315 (PSR B0943+10), 350 (PSR B0950+08), 341 (PSR B1133+16), 322 (PSR B1929+10) [Estimated parameters of PSG for the sample of pulsars]Estimated parameters of PSG for the sample of pulsars. The conditions in the polar cap region: surface temperature, magnetic field strength, polar cap radius, and curvature radius of the field lines are given the in headers next to the pulsar name. The individual columns are as follows: (1) PSG mode (see Section <ref>), (2) Gap height, (3) Spark half-width, (4) Screening factor, (5) Overheating parameter, (6) Characteristic Lorentz factor of scattering particles , (7) Maximum Lorentz factor of primary particles, (8) Lorentz factor of iron ions (if they are relativistic), (9) Particle mean free path, and (10) Photon mean free path. The results are presented for two different gap breakdown scenarios: the PSG-off and PSG-on modes (see Section <ref> for more details). $^{a}$ The modes correspond to calculations using the predicted spark half-width (see Table <ref>) $^{b}$ The modes correspond to calculations with a spark half-width $h_{\perp}=2\,{\rm m}$ mode $h$ $h_{\perp}$ $\eta$ $\kappa$ $\gamma_{{\rm c}}$ $\gamma_{{\rm max}}$ $\gamma_{{\rm i}}$ $l_{{\rm p}}$ $l_{{\rm ph}}$$\left(N_{{\rm ph}}\right)$ $\left({\rm m}\right)$ $\left({\rm m}\right)$ $\left({\rm m}\right)$ $\left({\rm m}\right)$10|c|10|c|PSR B0628-28$T_{6}=2.8$ $B_{14}=2.2$ $R_{{\rm pc}}=21.3\,{\rm m}$ $\Re_{6}=0.6$1|c 1c 1c 1c 1c 1c 1c 1c 1c off $198.3$ $3.2$ – $0.007$ $1.3\times10^{6}$ $1.6\times10^{6}$ – $1.4$ $58.9$on$^{a}$ – $3.6$ – – – – – – –on$^{b}$ $78.6$ $2.0$ $0.15$ – $6.1\times10^{3}$ $8.9\times10^{4}$ $23$ $1.9$ $1.3$10|r|Continued on next page Table <ref> - continued from previous page mode $h$ $h_{\perp}$ $\eta$ $\kappa$ $\gamma_{{\rm c}}$ $\gamma_{{\rm max}}$ $\gamma_{{\rm i}}$ $l_{{\rm p}}$ $l_{{\rm ph}}$ $\left({\rm m}\right)$ $\left({\rm m}\right)$ $\left({\rm m}\right)$ $\left({\rm m}\right)$10|c|10|c|PSR B0628-28$T_{6}=2.8$ $B_{14}=2.2$ $R_{{\rm pc}}=21.3\,{\rm m}$ $\Re_{6}=0.6$1|c 1c 1c 1c 1c 1c 1c 1c 1c off $198.3$ $3.2$ – $0.007$ $1.3\times10^{6}$ $1.6\times10^{6}$ – $1.4$ $58.9$on$^{a}$ – $3.6$ – – – – – – –on$^{b}$ $78.6$ $2.0$ $0.15$ – $6.1\times10^{3}$ $8.9\times10^{4}$ $23$ $1.9$ $1.3$ 1|c 1c 1c 1c 1c 1c 1c 1c 1c 10|c|PSR J0633+1746$T_{6}=1.9$ $B_{14}=1.5$ $R_{{\rm pc}}=44.5\,{\rm m}$ $\Re_{6}=2.1$1|c 1c 1c 1c 1c 1c 1c 1c 1c off $252.1$ $1.5$ – $0.0002$ $2.9\times10^{6}$ $3.5\times10^{6}$ – $2.2$ $66.6$on$^{b}$ – $2.0$ – – – – – – – 1|c 1c 1c 1c 1c 1c 1c 1c 1c 10|c|PSR B0834+06$T_{6}=2.4$ $B_{14}=1.9$ $R_{{\rm pc}}=22.7\,{\rm m}$ $\Re_{6}=0.6$1|c 1c 1c 1c 1c 1c 1c 1c 1c off $172.5$ $3.2$ – $0.0027$ $1.2\times10^{6}$ $1.4\times10^{6}$ – $1.3$ $52.1$on$^{a}$ $82.0$ $1.8$ $0.12$ – $5.3\times10^{3}$ $7.0\times10^{4}$ $18$ $2.3$ $1.5$on$^{b}$ $102.9$ $2.0$ $0.11$ – $4.9\times10^{3}$ $7.8\times10^{4}$ $20$ $2.4$ $1.8$ 1|c 1c 1c 1c 1c 1c 1c 1c 1c 10|c|PSR B0943+10$T_{6}=3.1$ $B_{14}=2.4$ $R_{{\rm pc}}=17.6\,{\rm m}$ $\Re_{6}=0.7$1|c 1c 1c 1c 1c 1c 1c 1c 1c off $168.3$ $1.9$ – $0.0068$ $1.6\times10^{6}$ $2.0\times10^{6}$ – $1.4$ $46.5$on$^{a,b}$ $71.6$ $2.0$ $0.1$ – $8.8\times10^{3}$ $2.5\times10^{5}$ $63$ $1.1$ $1.1$ 10|r|Continued on next page Table <ref> - continued from previous page mode $h$ $h_{\perp}$ $\eta$ $\kappa$ $\gamma_{{\rm c}}$ $\gamma_{{\rm max}}$ $\gamma_{{\rm i}}$ $l_{{\rm p}}$ $l_{{\rm ph}}$ $\left({\rm m}\right)$ $\left({\rm m}\right)$ $\left({\rm m}\right)$ $\left({\rm m}\right)$1|c 1c 1c 1c 1c 1c 1c 1c 1c 10|c|PSR B0950+08 $T_{6}=2.6$ $B_{14}=2.0$ $R_{{\rm pc}}=14.0\,{\rm m}$ $\Re_{6}=0.8$1|c 1c 1c 1c 1c 1c 1c 1c 1c off $172.8$ $1.9$ – $0.0009$ $1.7\times10^{6}$ $2.0\times10^{6}$ – $1.6$ $47.9$on$^{a}$ $16.9$ $0.7$ $0.09$ – $3.9\times10^{3}$ $2.3\times10^{4}$ $6$ $1.4$ $0.6$on$^{b}$ $61.7$ $2.0$ $0.03$ – $5.1\times10^{3}$ $6.6\times10^{4}$ $17$ $1.8$ $1.6$ 1|c 1c 1c 1c 1c 1c 1c 1c 1c 10|c|PSR B1133+16$T_{6}=2.9$ $B_{14}=2.3$ $R_{{\rm pc}}=17.9\,{\rm m}$ $\Re_{6}=0.6$1|c 1c 1c 1c 1c 1c 1c 1c 1c off $167.4$ $2.4$ – $0.0076$ $1.4\times10^{6}$ $1.7\times10^{6}$ – $1.3$ $48.4$on$^{a}$ $95.9$ $2.9$ $0.08$ – $7.0\times10^{3}$ $1.9\times10^{5}$ $47$ $1.2$ $1.3$on$^{b}$ $54.3$ $2.0$ $0.11$ – $7.9\times10^{3}$ $1.3\times10^{5}$ $33$ $1.4$ $1.1$ 1|c 1c 1c 1c 1c 1c 1c 1c 1c 10|c|PSR B1929+10$T_{6}=3.0$ $B_{14}=2.4$ $R_{{\rm pc}}=20\,{\rm m}$ $\Re_{6}=0.6$1|c 1c 1c 1c 1c 1c 1c 1c 1c off $112.7$ $1.0$ – $0.0012$ $1.8\times10^{6}$ $2.1\times10^{6}$ – $1.1$ $28.0$on$^{a}$ $50.5$ $1.6$ $0.02$ – $9.8\times10^{3}$ $1.2\times10^{5}$ $31$ $1.6$ $1.0$on$^{b}$ $75.1$ $2.0$ $0.02$ – $8.4\times10^{3}$ $1.5\times10^{5}$ $39$ $1.5$ $1.5$ § PSG MODEL PARAMETERS We can distinguish two types of PSG parameters: observed and derived. As we have mentioned above, in some cases when X-ray observations are available we can directly estimate the surface magnetic field $B_{{\rm s}}$. On the one hand, $B_{{\rm s}}$ can be calculated using the size of the hot spot $A_{{\rm bb}}$, and on the other hand we can find $B_{{\rm s}}$ by using the estimation of the critical temperature and the assumption that $T_{{\rm s}}=T_{{\rm crit}}$. One of the most important requirements for the PSG model is that these two estimations should coincide with each other. As is clear from Figure <ref>, in most cases when the hot spot parameters are available this requirement is fulfilled. Thus, we can assume that the characteristic values of $B_{{\rm s}}$ vary in the range of $(1-4)\times10^{14}\,{\rm G}$, which corresponds to the critical surface temperature in the range of $(1.3-5)\times10^{6}\,{\rm K}$ (see Table <ref>). By using these values we can estimate the derived parameters of PSG, such as the gap height $h$, the screening factor $\eta$ (or the overheating parameter $\kappa$ in the PSG-off mode) and the characteristic Lorentz factor of primary particles $\gamma_{{\rm c}}$. Let us note that these parameters also depend on the curvature radius of the magnetic field lines $\Re$. The curvature can be neither observed nor derived, but modelling of the surface magnetic field (see Chapter <ref>) indicates that the curvature radius varies in the range of $(0.1-10)\times10^{6}$ cm. Below we will discuss the influence of pulsar parameters, such as the magnetic field, the curvature of field lines and the period on derived PSG parameters. §.§ Influence of the magnetic field The conditions in PSG are mainly defined by the surface magnetic field. In Figure <ref>, panel (a) we present the dependence of the gap height on the surface magnetic field calculated according to the approach described in Section <ref>. It is clear that in the PSG-off mode the gap height decreases as the surface magnetic field increases. In the PSG-on mode, on the other hand, the gap height shows a minimum at a specific value of the magnetic field strength (for a given pulsar's parameters it is $B_{14}\approx3$). This behaviour is the result of an increasing potential acceleration drop with an increasing surface magnetic field. When the magnetic field strength exceeds the optimal value, which corresponds to acceleration when ICS is more effective, the increase in the acceleration potential results in less effective scattering. Panel (b) shows the dependence of the screening factor (or the overheating parameter $\kappa$ in the PSG-off mode) on the surface magnetic field. We can see that for stronger magnetic fields both $\eta$ and $\kappa$ increase, which means that: (1) the density of heavy ions above the polar cap in the PSG-on mode decreases, (2) the density of particles required to overheat (and thus to close) the polar cap increases. Let us note that the surface temperature $T_{{\rm s}}$ stays very near to the critical temperature $T_{{\rm crit}}$, which is shown on the top axis of the Figures. In panel (c) the red, solid and dotted lines correspond to characteristic and maximum Lorentz factors ($\gamma_{{\rm c}}$, $\gamma_{{\rm max}}$) in the PSG-on mode, while the blue, dashed and dashed-dotted lines correspond to $\gamma_{{\rm c}}$ and $\gamma_{{\rm max}}$ in the PSG-off mode. We see that especially for the PSG-off mode $\gamma_{{\rm c}}$ does not depend on the magnetic field strength. Note also that in the PSG-off mode (CR-dominated gap), the characteristic Lorentz factor (the Lorentz factor for which most of the gamma photons are produced) slightly differs from the maximum value, $\gamma_{{\rm c}}\approx\gamma_{{\rm max}}$. On the other hand, in the PSG-on mode $\gamma_{{\rm c}}\ll\gamma_{{\rm max}}$, which reflects the fact that most of the scatterings take place in the bottom part of the gap. (show_b14, show_b14_cr) [Dependence of the PSG model parameters on the surface magnetic field.]Dependence of the gap height (panel a), the screening factor or the overheating parameter (panel b), and the particle Lorentz factor (panel c) on the surface magnetic field. Solid red lines correspond to the PSG-on mode (ICS-dominated gaps) while dashed blue lines correspond to the PSG-off mode (CR-dominated gaps). Calculations were performed using the following parameters: $P=0.23$, $\Re_{6}=0.6$, $B_{{\rm d}}=1.2\times10^{12}\,{\rm G}$, and $\alpha=36^{\circ}$. The actual polar cap radius was calculated separately for a given surface magnetic field as $R_{{\rm pc}}=R_{{\rm dp}}\sqrt{B_{{\rm d}}/B_{{\rm s}}}$. In panel (c) the red solid and dotted lines correspond to characteristic and maximum Lorentz factors ($\gamma_{{\rm c}}$, $\gamma_{{\rm max}}$) in the PSG-on mode while blue dashed and dashed-dotted lines correspond to $\gamma_{{\rm c}}$ and $\gamma_{{\rm max}}$ in the PSG-off mode. Corresponding critical temperature is shown on top axis of the figures. §.§ Influence of the curvature radius The curvature of the magnetic field lines significantly affects the gap height in the PSG-off mode (see Figure <ref>, panel a). In the case of the CR-dominated gap, the curvature of the magnetic field lines affects not only the photons' mean free path (for higher curvature the magnetic field will absorb photons faster), but also the particle mean free path and, more importantly, the energy of photons generated in the gap region. The higher energy of photons further reduces the photon mean free path, thus resulting in lower heights of the PSG. In contrast, the gap height in the PSG-on mode is only slightly affected by changes in the curvature of the magnetic field lines. In this case the most important parameter which determines the cascade properties is the primary particle mean free path which does not depend on the curvature of the magnetic field lines. The overheating parameter in the PSG-off mode inversely depends on the radius of curvature of the magnetic field lines (see Figure <ref>, panel b). The higher the curvature, the higher the overheating parameter, which means that the sparks are narrower. This is consistent with the expectation that for a higher curvature of the magnetic field lines, the gap breakdown is easier to develop and takes place before the sparks manage to grow in width. On the other hand, the screening factor in the PSG-off mode does not depend on the curvature of the magnetic field lines. With an increasing radius of curvature the Lorentz factor of primary particles (both $\gamma_{{\rm c}}$ and $\gamma_{{\rm max}}$) required to close the gap in the PSG-off mode also increases. This reflects the fact that in order to produce a sufficient number of photons in the gap region, the primary particles should be accelerated to higher energies (if the curvature is lower). Higher energies of the primary particles will increase the emitted $\gamma$-photon energy, thereby they will partly inhibit the growth of the photon mean free path due to the lower curvature. As mentioned above, the gap height in the PSG-on mode very weakly depends on the photon mean free path, thus both $\gamma_{{\rm c}}$ and $\gamma_{{\rm max}}$ are not affected by the increase in the radius of curvature. [Dependence of the PSG model parameters on the curvature radius of magnetic field lines.]Dependence of the gap height (panel a), the screening factor or the overheating parameter (panel b), and the particle Lorentz factor (panel c) on the curvature radius of magnetic field lines. Calculations were performed using the following parameters: $P=0.23$, $B_{{\rm d}}=1.2\times10^{12}\,{\rm G}$, $B_{{\rm s}}=2.4\times10^{14}\,{\rm G}$, $\alpha=36^{\circ}$. For a more detailed description see Figure <ref>. §.§ Influence of the pulsar period As we can see from Figure <ref>, panel (a) and panel (c), in the PSG-on mode the gap height and the Lorentz factor of primary particles do not depend on the pulsar period. The increase in the screening factor (see Figure <ref>b) compensates the increase in the acceleration potential drop (see Equation <ref>). Thus the particles in the gap region are accelerated in the same way independently of the pulsar period. On the other hand, the gap height in the PSG-off mode increases with the increasing pulsar period. This reflects the fact that in the PSG-off mode the acceleration potential, and hence $\gamma_{{\rm c}}$ and $\gamma_{{\rm max}}$, decreases with longer periods (see Equation <ref>). Longer pulsar periods entail an increase in the screening factor (in the PSG-on mode, see Equation <ref>) and in the overheating parameter (in the PSG-off mode). Note that for periods longer than some specific value (for a given pulsar's parameters it is $P_{{\rm max}}\approx9\,{\rm s}$), the screening factor in the PSG-on mode would exceed unity. This means that the PSG-on mode cannot be responsible for the gap breakdown for pulsars with such long periods. [Dependence of the PSG model parameters on the pulsar period.]Dependence of the gap height (panel a), the screening factor or a overheating parameter (panel b), and the particle Lorentz factor (panel c) on the pulsar period. Calculations were performed using the following parameters: $P=0.23$, $B_{{\rm d}}=1.2\times10^{12}\,{\rm G}$, $B_{{\rm s}}=2.4\times10^{14}\,{\rm G}$, $\alpha=36^{\circ}$, $\Re_{6}=0.6$. The actual polar cap radius was calculated separately for a given pulsar period as $R_{{\rm pc}}=R_{{\rm dp}}\sqrt{B_{{\rm d}}/B_{{\rm s}}}$, where $R_{{\rm dp}}=\sqrt{2\pi R^{3}/\left(cP\right)}$. For a more detailed description see Figure <ref>. § DRIFT MODEL The existence of IAR in general causes a rotation of the plasma relative to the NS, as the charge density differs from the Goldreich-Julian co-rotational density. The power spectrum of radio emission must have a feature due to this plasma rotation. This feature is indeed observed and is called the drifting subpulse phenomenon. §.§ Aligned pulsars An explanation for drifting subpulses was offered by 156 as being due to a rotating carousel of sub-beams within a hollow emission cone. According to this model a pair cascades may not occur simultaneously across the whole polar cap but is localised in the form of discharges of small regions in the polar gap. Such sparks may produce plasma columns that stream into the magnetosphere to produce the observed radio emission. The location of the discharges on the polar cap determines the geometrical pattern of instantaneous subpulses within a pulsar's integrated pulse profile. In the PSG model the stable pattern of subpulses is due to heating of the inactive part of the spark (the place where no cascade forms due to a low acceleration potential) by all the neighbouring discharges. The lifetime of a single spark is very short. On the other hand, an inactive region is continuously heated by all the neighbouring sparks. Even when one of them dies, the temperature is still high enough (high ion density) to prevent spark formation in this region. As the discharges do not exchange information (they are not synchronised) and their lifetime is very small, the geometrical pattern of sparks on the polar cap should be stable. For pulsars with an aligned magnetic and rotation axis the sparks circulate around the rotation axis. Note that this circulation is not related with the magnetic axis but with the direction of the co-rotational velocity. Namely, the drift velocity is opposed to the co-rotational We can calculate the drift velocity of an aligned pulsar using the following approximation (see Figure <ref>) \begin{equation} v_{{\rm dr}}\approx\frac{2\pi R_{{\rm pc}}}{PP_{3}}\frac{\beta}{\rho}\frac{P_{2}^{\circ}}{360^{\circ}}, \end{equation} where $R_{{\rm pc}}$ is the actual polar cap size, $P_{2}^{\circ}$ is the characteristic spacing between subpulses in the pulse longitude, $P_{3}$ is the period at which a pattern of subpulses crosses the pulse window (in units of the pulsar period), $\beta$ is the impact angle, and $\rho$ is the opening angle. [Top view of a polar cap region of an aligned pulsar]Top view of a polar cap region of an aligned pulsar. Small circles represent sparks, while the red line corresponds to the line of sight. If we neglect the transition from a non-dipolar structure of the magnetic field on the stellar surface to a dipolar structure in the region where radio emission is produced, we can assume that the observed subpulse separation $P_{2}^{\circ}$ also describes spark separation $\varrho_{s}$ (angular separation between the adjacent sparks on the polar cap). In such an approximation the assumption that only half of the spark is active can be written as \begin{equation} \frac{P_{2}^{\circ}}{360^{\circ}}\approx\frac{2h_{\perp}}{2\pi R_{{\rm pc}}\frac{\beta}{\rho}}. \end{equation} Finally, we can define the observed drift velocity of aligned pulsars \begin{equation} \end{equation} §.§ Non-aligned pulsars Most observed pulsars are non-aligned rotators. It is very common to apply the carousel model to interpret observations of the drifting subpulses of non-aligned pulsars [156]. Despite the fact that the carousel model can explain some properties of subpulses (for example the change in intensity), we believe that this model is not suitable for describing the spark's behaviour on the polar cap. There is no physical reason for a spark to circulate around the magnetic axis. The circulation in aligned pulsars is caused by a lack of coronation with respect to the rotation axis. For non-aligned pulsars, the co-rotation velocity in the polar cap region has more or less the same direction: what is more, if we assume circulation around the magnetic axis we will get plasma with a velocity that is higher than the co-rotational velocity, which is difficult to explain in a region where the charge density is lower than the co-rotational As in our model, the drift is caused by a lack of charge in IAR, thus the plasma should drift in approximately the same direction, i.e. in the direction opposite to the co-rotation velocity. We believe that the change in subpulse intensity is caused by the observation of a different part of a spark and/or different conditions across the polar cap at which the spark is formed (e.g. magnetic field strength, curvature of the magnetic field lines, background photon flux). For pulsars with a relatively high inclination angle $\alpha$ we can calculate the drift velocity using the following approximation \begin{equation} v_{dr}\approx\frac{2R_{{\rm pc}}\frac{W}{W_{\beta0}}}{PP_{3}}\frac{P_{2}^{\circ}}{W}\approx\frac{2R_{{\rm pc}}}{PP_{3}}\frac{P_{2}^{\circ}}{W_{\beta0}},\label{eq:psg.vdr_nona_approx} \end{equation} where $W$ is the profile width and $W_{\beta0}\approx W/\sqrt{1-\left(\frac{\beta}{\rho}\right)^{2}}$ is the profile width calculated assuming $\beta=0$ (see Figure <ref>). Using the assumption that only half of the spark is active, we can write that \begin{equation} \frac{P_{2}^{\circ}}{W}\approx\frac{2h_{\perp}}{2R_{{\rm pc}}\frac{W}{W_{\beta0}}}\longrightarrow\frac{P_{2}^{\circ}}{W_{\beta0}}\approx\frac{h_{\perp}}{R_{{\rm pc}}},\label{eq:psg.hperp_wb0} \end{equation} and the drift velocity \begin{equation} \end{equation} The spark half-width can be calculated using Equation <ref> as follows \begin{equation} h_{\perp}=R_{{\rm pc}}\frac{P_{2}^{\circ}}{W_{\beta0}}.\label{eq:psg.hperp_p2} \end{equation} [Top view of the polar cap region in the case of a non-aligned pulsar]Top view of the polar cap region in the case of a non-aligned pulsar. Small circles represent sparks, the red line corresponds to the line of sight. In general, the observed subpulse separation $P_{2}^{\circ}$ does not describe the actual spark separation $\varrho_{s}$ (the angular separation between the adjacent sparks on the polar cap). In order to calculate the distance between the sparks we use an approximation from Equation <ref>. §.§ Screening factor In our model the drift is caused by a lack of charge in IAR, thus we can write the equation for the drift velocity as follows \begin{equation} {\bf v_{\perp}={\bf v}}_{{\rm dr}}=\frac{c{\bf \Delta E}\times{\bf B}}{B^{2}}, \end{equation} where $\Delta{\bf E}$ is the electric field caused by the difference of an actual charge density from the Goldreich-Julian co-rotational density. We can a use calculation of the circulation of an electric field, Equations <ref> and <ref>, to find the dependence of the drift velocity on the screening factor: \begin{equation} v_{{\rm dr}}=c\frac{E_{\theta}B_{r}}{B_{r}^{2}}=\frac{4\pi\eta h_{\perp}\cos\alpha}{P}.\label{eq:psg.vdr_shielding} \end{equation} Finally, by using Equations <ref> and <ref> we can find the dependence of the screening factor on the observed drift parameters \begin{equation} \eta=\frac{1}{2\pi P_{3}\cos\alpha}.\label{eq:psg.eta_p3} \end{equation} §.§ Profile width and subpulse separation The key parameters in the above calculations are the pulse width $W$ (or $W_{\beta0}$), the characteristic spacing between subpulses $P_{2}^{\circ}$, and the period at which a pattern of subpulses crosses the pulse window $P_{3}$. Of these three only $P_{3}$ is easy to apply, both $W$ and $P_{2}^{\circ}$ need serious study before they can be used. In general, the profile width depends on the frequency at which we observe the pulsar, and most normal pulsars show a systematic increase in pulse width and the separation of profile components when observed at lower frequencies. The model known as radius-to-frequency mapping explains this effect as a direct consequence of the emission at higher frequencies being produced closer to the neutron star surface than at lower frequencies. For this reason both the pulse width and the spacing between subpulses should be measured at the same frequency. Note that $P_{3}$ is not affected by this effect since its determination involves analyses of many pulses and does not depend on the pulse width. The observed pulse width $W$, measured in longitude of rotation, can be calculated by applying simple spherical geometry [60]: \begin{equation} \sin^{2}\frac{W}{4}=\frac{\sin^{2}\left(\rho/2\right)-\sin^{2}\left(\beta/2\right)}{\sin\alpha\sin\left(\alpha+\beta\right)}. \end{equation} In the above calculations we are using the $W_{\beta0}\approx W/\sqrt{1-\left(\frac{\beta}{\rho}\right)^{2}}$approximation, where $W_{\beta0}$ is the pulse width calculated assuming $\beta=0$. In the first approximation we can assume that $W_{\beta0}$ corresponds to the distance $2R_{{\rm pc}}$ at the polar cap which, is valid for non-aligned pulsars with a relatively high inclination angle. A more accurate value can be calculated using formulas presented in 60. The running polar coordinates along the line of sight trajectory can be expressed in the form \begin{equation} \rho\left(\varphi\right)=2\arcsin\left(\sqrt{\sin^{2}\frac{\varphi}{2}\sin\alpha\sin\left(\alpha+\beta\right)+\sin^{2}\frac{\beta}{2}}\right), \end{equation} \begin{equation} \sigma\left(\varphi\right)=\arctan\left(\frac{\sin\varphi\sin\alpha\sin\left(\alpha+\beta\right)}{\cos\left(\alpha+\beta\right)-\cos\alpha\cos\rho\left(\varphi\right)}\right). \end{equation} In numerical calculations of $\sigma\left(\varphi\right)$ it is convenient to use the “${\rm atan2}$” function which takes into account the signs of both components and places the angle in the correct quadrant (see the footnote on page fn:model.atan2). Figure <ref> presents the geometry of the emission region for pulsars with available radio observations of the subpulse drift and X-ray observations of the hot spot. By knowing the actual polar cap radius $R_{{\rm pc}}$ we can determine the transverse size of the region responsible for the generation of plasma clouds in IAR (the spark half-width). [Top view of the polar cap region of pulsars with radio and X-ray observations]Top view of the polar cap region of pulsars with radio drift observations and X-ray hot spot radiation. Red lines correspond to the line of sight while green dashed lines correspond to the theoretical lines of sight calculated with an assumption that $\beta=0^{\circ}$. The geometry of pulsars can be found in Table <ref>. In our model the motion of sparks and the progressively different positions of the associated plasma columns are responsible for the observed drift of subpulses. For some pulsars it is possible to measure directly the subpulse separation using a single pulse. In most calculations it is assumed that the observed subpulses correspond to the adjacent sparks. In general, this is not necessarily true. The distribution of sparks on the polar cap is unknown and it is very likely that the line of sight does not cross the adjacent sparks but it omits some sparks in between. Therefore, the observed value of $P_{2}^{\circ}$ should be considered rather as an upper limit for spark separation. Furthermore, for many pulsars the observed value $P_{2}^{\circ}>W$, which means that it is not related to any structure at the polar cap but that it corresponds to some other periodicity. We can use Equations <ref> and <ref> to calculate the spark half-width as follows \begin{equation} \end{equation} Finally, using Equation <ref> we can determine the predicted value of the subpulse separation \begin{equation} \tilde{P}_{2}^{\circ}\approx\frac{26.2\left(B_{14}^{1.1}+0.3\right)^{2}PP_{3}\sqrt{\left|\cos\alpha\right|}}{B_{14}R_{{\rm pc}}}W_{\beta0}. \end{equation} §.§ Heating efficiency The spin-down energy loss is \begin{equation} L_{{\rm SD}}=3.9\times10^{31}\frac{\dot{P}_{-15}}{P^{3}}. \end{equation} We can use Equations <ref>, <ref> and <ref> to calculate the dependence of the acceleration potential drop on the parameters of drifting subpulses: \begin{equation} \Delta V\approx2.824\times10^{10}\left(\frac{\dot{P}_{-15}}{P^{3}}\right)^{0.5}\frac{1}{P_{3}}\left(\frac{P_{2}^{\circ}}{W_{\beta0}}\right)^{2}.\label{eq:psg.potential_drop_radio} \end{equation} The power of heating by backstreaming particles can be calculated as follows \begin{equation} L_{{\rm heat}}=\eta n_{{\rm GJ}}c\left(\Delta Ve\right)\pi R_{{\rm pc}}^{2}.\label{eq:psg.l_heat} \end{equation} The number density of the Goldreich-Julian co-rotational charge can be calculated using \begin{equation} n_{{\rm GJ}}=\frac{{\bf \Omega}\cdot{\bf B_{{\rm s}}}}{2\pi ce}, \end{equation} where $\Omega=2\pi/P$ is an angular velocity, $B_{{\rm s}}=bB_{{\rm d}}$ is the surface magnetic field, $b=R_{dp}^{2}/R_{pc}^{2}$, $B_{{\rm d}}=2.02\times10^{12}\sqrt{P\dot{P}_{-15}}\,{\rm G}$, and $R_{{\rm dp}}=\sqrt{2\pi R^{3}/\left(cP\right)}\approx1.45\times10^{4}P^{-0.5}$. The Goldreich-Julian density in terms of observed parameters can be written as \begin{equation} n_{{\rm GJ}}=2.9\times10^{19}\left(P^{-3}\dot{P}_{-15}\right)^{1/2}\frac{\cos\alpha}{R_{{\rm pc}}^{2}}.\label{eq:psg.ngj_radio} \end{equation} Finally, using Equations <ref>, <ref> and <ref> we can estimate the dependence of the heating power and thus the X-ray luminosity of the hot spot radiation on the parameters of radio observations as follows \begin{equation} L_{{\rm heat}}=L_{{\rm X}}=6\times10^{30}\left(\frac{\dot{P}_{-15}}{P^{3}}\right)\left(\frac{1}{P_{3}}\frac{P_{2}^{\circ}}{W_{\beta0}}\right)^{2}. \end{equation} The heating efficiency by the backstreaming particles can be calculated \begin{equation} \xi_{_{{\rm heat}}}=\frac{L_{{\rm heat}}}{L_{{\rm SD}}}=0.15\left(\frac{1}{P_{3}}\frac{P_{2}^{\circ}}{W_{\beta0}}\right)^{2}. \end{equation} §.§ Ion luminosity In the PSG-on mode the bulk of energy is transferred to the iron ions which shield the acceleration potential drop. Similar as for the backstreaming particles, we can estimate the power of ion acceleration as \begin{equation} L_{{\rm ion}}=\left(1-\eta\right)n_{{\rm GJ}}c\left(\Delta Vq_{{\rm ion}}\right)\pi R_{{\rm pc}}^{2},\label{eq:psg.l_ion} \end{equation} where $q_{{\rm ion}}=26e=1.25\times10^{-8}\,{\rm erg^{0.5}cm^{0.5}}$ is the ion charge. Using the same approach as for electron, we can calculate the dependence of energy transformed to the ions per second on the parameters of the radio observations as follows \begin{equation} L_{{\rm ion}}=9.75\times10^{32}\left(1-\eta\right)\frac{\dot{P}_{-15}}{P^{3}P_{3}}\left(\frac{P_{2}^{\circ}}{W_{\beta0}}\right)^{2}\cos\alpha. \end{equation} It is clearly visible that if the screening factor is low $\eta\ll1$, most of the energy in IAR is transferred to the iron ions. Using Equations <ref> and <ref> we can show that \begin{equation} \frac{L_{{\rm ion}}}{L_{{\rm heat}}}=\frac{26\left(1-\eta\right)}{\eta}\approx\frac{26}{\eta}. \end{equation} Finally, the ion acceleration efficiency can be calculated as \begin{equation} \xi_{{\rm _{ion}}}=\frac{L_{{\rm ion}}}{L_{{\rm SD}}}\approx25\frac{1}{P_{3}}\left(\frac{P_{2}^{\circ}}{W_{\beta0}}\right)^{2}\cos\alpha. \end{equation} It may seem that ion luminosity exceeds the spin-down luminosity, but note that both $P_{3}>1$ and $P_{2}^{\circ}<W_{\beta0}$. The predicted values of heating efficiency $\xi_{{\rm heat}}$ and ion acceleration efficiency $\xi_{{\rm ion}}$ are presented in the next §.§ Observations In this section we confront the values of the subpulse drift and X-ray radiation as estimated by other authors with predicted values estimated using the approach presented above. In Table <ref>, alongside our predicted value of $\tilde{P}_{2}^{\circ}$ we present two other estimates: (1) the subpulse separation estimated using the carousel model developed by 156, $P_{2,{\rm RS}}^{\circ}$; (2) the subpulse separation found using the analysis of the Longitude-Resolved Fluctuation Spectrum [8] and the integrated Two-Dimensional Fluctuation Spectrum [54], performed by 180, $P_{2,{\rm W}}^{\circ}$. We have found that the subpulse separation estimated using the fluctuations spectra is overestimated (in most cases $P_{2,{\rm W}}^{\circ}>W$). By definition $P_{2}^{\circ}$ should correspond to the structure within a single pulse, thus if the geometry is not extreme ($\varrho>1^{\circ}$) it should comply with $P_{2}^{\circ}\leq W$. For this specific sample of pulsars $P_{2,{\rm W}}^{\circ}$ should not be interpreted as the actual subpulse separation. On the other hand, $\tilde{P}_{2}^{\circ}$ is in good agreement with $P_{2,{\rm RS}}^{\circ}$. The predicted values $\tilde{P}_{2}^{\circ}$ for B0834+06 and B0943+10 suggest that $P_{2,{\rm RS}}^{\circ}$ for those pulsars could be overestimated due to the aliasing phenomenon ($P_{2,{\rm RS}}^{\circ}\approx2\tilde{P}_{2}^{\circ}$). For B1929+10 we do not list $P_{2,{\rm RS}}^{\circ}$ as its value presented in 61 does not comply with the $P_{2,{\rm RS}}^{\circ}\leq W$ condition. We believe that the overestimated value of $P_{2,{\rm RS}}^{\circ}$ for B1929+10 is a result of using the fluctuations spectra presented in 180 to calculate the number of sparks in the carousel model. Note that the coincidence of $\tilde{P}_{2}^{\circ}$ and $P_{2,{\rm RS}}^{\circ}$ is yet to be clarified, as in our model there is no physical reason for sparks to circulate around the magnetic axis. In fact, the PSG model assumes the non-dipolar structure of the magnetic field lines in the gap region and the actual position of the polar cap is not necessarily coincident with the global dipole (e.g. see Figures <ref>, <ref>, [Details of a subpulse drift for pulsars with X-ray hot spot radiation]Details of a subpulse drift for pulsars with X-ray hot spot radiation. The individual columns are as follows: (1) Pulsar name, (2) Predicted characteristic spacing between subpulses in the pulse longitude, $\tilde{P}_{2}^{\circ}$; (3) Spacing between subpulses, found in the literature, estimated using the carousel model, $P_{2,{\rm RS}}^{\circ}$; (4) Spacing between subpulses estimated using fluctuations spectra, $P_{2,{\rm W}}^{\circ}$; (5) Period at which a pattern of subpulses crosses the pulse window (in units of the pulsar period), $P_{3}$; (6) Number of sparks estimated using the carousel model, $N$; (7) Profile width at 10%, $W$; (8) Profile width calculated assuming $\beta=0$, $W_{\beta0}$; (9) Angular width of the observed region on the polar cap $\varrho$ (see Figure <ref>); (10) References; (11) Number of the pulsar. Name $\tilde{P}_{2}^{\circ}$ $P_{2,{\rm RS}}^{\circ}$ $P_{2,{\rm W}}^{\circ}$ $P_{3}$ $N$ $W$ $W_{\beta0}$ $\varrho$ Ref. No. $\left({\rm deg}\right)$ $\left({\rm deg}\right)$ $\left({\rm deg}\right)$ $\left(P\right)$ $\left({\rm deg}\right)$ $\left({\rm deg}\right)$ $\left({\rm deg}\right)$ B0628–28 $8.4$ $6$ $30$ $7.0$ $24$ $38.1$ $48.2$ $98.0$ [64], [180] $8$B0834+06 $1.4$ $3$ $20$ $2.2$ $14$ $12.2$ $15.8$ $105.5$ [149], [180] $14$B0943+10 $9.8$ $17$ – $1.8$ $20$ $25.6$ $84.7$ $27.5$ [52], [53], [6] $15$B0950+08 $4.0$ – – $6.5$ – $32.2$ $63.7$ $55.1$ [181] $16$B1133+16 $3.2$ $4$ $130$ $3.0$ $11$ $14.4$ $18.1$ $107.9$ [62], [86], [180] $22$B1929+10 $5.8$ $?$ $90$ $9.8$ $?$ $24.5$ $80.8$ $43.6$ [61], [180] $42$ Table <ref> presents the observed and derived parameters of PSG for pulsars with available radio and X-ray observations. In the calculations we used the predicted value of subpulse separation $\tilde{P_{2}^{\circ}}$. Note that we consider only pulsars with a visible hot spot component since only for these pulsars we can estimate the size of the polar cap. The low value of the estimated screening factor ($\eta\ll1$) suggests that when the drift is visible, the pulsar operates in the PSG-on mode. If the pulsar operates in the PSG-off mode, $\eta\approx1$, the drift velocity is much higher (see Equation <ref>) and the drift phenomenon should be more chaotic and much difficult to identify. Observations of PSR 0943+10 show a strong, regular subpulse drifting in the radio-bright mode, with only a hint of modulation in the radio-quiescent mode. Based on this fact we believe that the two different scenarios of the gap breakdown (PSG-on and PSG-off modes) can explain the mode [Derived parameters of PSG for pulsars with available radio observations of the subpulse drift and X-ray hot spot radiation]Derived parameters of PSG for pulsars with available radio observations of the subpulse drift and X-ray hot spot radiation. The individual columns are as follows: (1) Pulsar name, (2) Screening factor, $\eta$; (3) Predicted heating efficiency, $\xi_{{\rm heat}}$; (4) Observed bolometric efficiency, $\xi_{_{{\rm BB}}}$; (5) Predicted ion acceleration efficiency, $\xi_{{\rm _{ion}}}$; (6) Surface temperature, $T_{{\rm s}}$; (7) Strength of the surface magnetic field, $B_{{\rm s}}$; (8) Observed polar cap radius, $R_{{\rm pc}}$; (9) Estimated spark half-width, $h_{\perp}$; (10) Number of the pulsar. $T_{{\rm s}}$, $R_{{\rm pc}}$, $b$ were chosen to fit $1\sigma$ uncertainty. Note that in the calculations $\tilde{P}_{2}^{\circ}$ was used. Name $\eta$ $\log\xi_{_{{\rm heat}}}$ $\log\xi_{_{{\rm BB}}}$ $\log\xi_{_{{\rm ion}}}$ $T_{{\rm s}}$ $B_{{\rm s}}$ $R_{{\rm pc}}$ $h_{\perp}$ No. $\left({\rm radio}\right)$ $\left({\rm x-ray}\right)$ $\left({\rm ions}\right)$ $\left(10^{6}{\rm K}\right)$ $\left(10^{14}{\rm G}\right)$ $\left({\rm m}\right)$ $\left({\rm m}\right)$ B0628–28 $0.07$ $-4.03$ $-3.61$ $-1.43$ $2.5$ $2.0$ $23$ $3.9$ $8$B0834+06 $0.15$ $-3.60$ $-3.34$ $-1.35$ $3.0$ $2.4$ $20$ $1.8$ $14$B0943+10 $0.09$ $-3.24$ $-3.27$ $-0.75$ $3.3$ $2.5$ $17$ $2.0$ $15$B0950+08 $0.09$ $-5.08$ $-4.54$ $-2.62$ $2.6$ $2.1$ $14$ $0.7$ $16$B1133+16 $0.09$ $-3.29$ $-3.13$ $-0.81$ $3.4$ $2.7$ $17$ $2.9$ $22$B1929+10 $0.02$ $-5.10$ $-4.17$ $-1.98$ $4.2$ $2.0$ $22$ $1.6$ $42$ CHAPTER: CASCADE SIMULATION In this chapter we present the approach of calculating the pair cascades developed by 124 which has been applied to cases with non-dipolar structure of magnetic field. The original approach was adapted to perform full three-dimensional calculations and extended with effects that may have a greater importance for non-dipolar configuration of surface magnetic fields (e.g. aberration). Additionally, to perform a thorough analysis of the Inverse Compton Scattering we present the detailed description of calculating the ICS cross section originally developed by 71. Following the approach presented by 124 we can divide the cascade simulation into three parts: * propagation of the primary particle (including photon emission), * photon propagation in strong magnetic field (pair production, photon * propagation and photon emission of the secondary [In this thesis the term ”secondary” refers to any newly created particle except for the primary particles accelerated in IAR, e.g. the third generation of electrons and positrons are all considered as ”secondary” particles. We use the ”co-rotating” frame of reference (the frame which rotates with the star) to track both photons and particles. In calculations we consider regions far inside the light cylinder. Thus, following 124, we ignore any bending of the photon path due to rotation of the star. Furthermore, we also ignore effects of general relativity on trajectories of photons and particles. Figure <ref> presents a summary flowchart of the algorithm used to calculate the properties of secondary plasma and the spectrum of radiation for a given structure of a neutron's star magnetic field and gap parameters. [Flowchart of the algorithm used to calculate a cascade simulation]Flowchart of algorithm used to calculate a cascade simulation. § CURVATURE RADIATION As we have shown in Chapter <ref>, an ultrastrong surface magnetic field ($B_{{\rm s}}>10^{14}\,{\rm G}$) is accompanied by high curvature (curvature radius $\Re_{6}\approx0.1-10$). This suggests that one of the important processes of radiation which should be considered is Curvature Radiation (CR). CR is quite similar to ordinary synchrotron radiation (radiation of ultrarelativistic particles in the magnetic field), the only difference being that the radius of circular motion (the gyroradius) is in fact the curvature radius of magnetic field lines. Due to beaming effects the radiation appears to be concentrated in a narrow set of directions about the velocity of the particle. The angular width of the cone of emission is of the order $\sim1/\gamma$, where $\gamma$ is a Lorentz factor of an emitting particle (for more details see 157). We track the primary particle above the acceleration zone (the gap region) as it moves along the magnetic field line. The length of the step $\Delta s$ is chosen so as to achieve sufficient accuracy even for large curvature of the magnetic field line, $\Delta s\approx0.01\Re_{{\rm min}}$, where $\Re_{{\rm min}}$ is the minimum radius of curvature. The distribution of CR photon energy can be written as (see Equation 14.93 in 96) \begin{equation} \frac{{\rm d}N}{{\rm d}\epsilon}=\frac{E}{\epsilon_{{\rm _{CR}}}}\frac{9\sqrt{3}}{8\pi}\int_{\epsilon/\epsilon_{_{{\rm CR}}}}^{\infty}K_{5/3}(t){\rm d}t,\label{eq:cascade.dn_deps} \end{equation} where $E=4\pi e^{2}\gamma^{4}/3\Re$ is the total energy radiated per revolution, $\epsilon_{_{{\rm CR}}}=3\gamma^{3}\hbar c/(2\Re)$ is the characteristic energy of curvature photons, and $K_{5/3}$ is the $n=5/3$ Bessel function of the second kind. The total energy radiated by a particle after it passes the length $\Delta s$, $E_{_{\Delta s}}$, can be written as \begin{equation} E_{_{\Delta s}}=E\frac{\Delta s}{2\pi\Re}.\label{eq:cascade.i_ds} \end{equation} Thus, by using Equations <ref> and <ref> we can write the formula for the distribution on CR photon energy after a particle passes length $\Delta s$ \begin{equation} \frac{{\rm d}N}{{\rm d}\epsilon}=\frac{\Delta s}{2\pi\Re}\frac{\sqrt{3}e^{2}\gamma}{\hbar c}\int_{\epsilon/\epsilon_{{\rm _{CR}}}}^{\infty}K_{5/3}(t){\rm d}t. \end{equation} It is convenient to divide the spectrum of photon energy into discrete bins. Then, the number of photons in each energy bin can be calculated \begin{equation} N_{\epsilon}=\int_{\epsilon_{_{i}}}^{\epsilon_{_{i}}+\Delta\epsilon}\frac{dN}{d\epsilon}{\rm d}\epsilon, \end{equation} where $\epsilon_{_{i}}$ is the lowest energy for the $i$-th bin and $\Delta\epsilon$ is the energy bin width. Our simulation uses $50$ bins with an energy range of $\epsilon_{_{0}}=4\times10^{-2}\,{\rm keV}$ (soft X-ray) to $\epsilon_{_{49}}=4\times10^{5}\,{\rm MeV}$ (hard $\gamma$-rays). Depending on the photon frequency the polarisation fraction of CR photons is between $50\%$ and $100\%$ polarised parallel to the magnetic field (see 96, 157). Therefore, using similar approach as 124 we randomly assign the polarisation in the ratio of one photon $\perp$-polarised to every seven $\parallel$-polarised photons, which corresponds to $75\%$ parallel polarisation. § PHOTON PROPAGATION To explain some of the properties of pulsars and their surroundings (e.g. nebulae radiation), large magnetospheric plasma densities exceeding the Goldreich-Julian density (see Equation <ref>) by many orders of magnitude are required. In order to simulate the process of generation of such a dense plasma it is necessary to check the conditions of photon decay into electron-positron pairs. A photon with energy $E_{\gamma}>2mc^{2}$ and propagating with a nonzero angle $\Psi$ with respect to an external magnetic field can be absorbed by the field and, as a result an electron-positron pair is created. The concurrent process is photon splitting $\gamma\rightarrow\gamma\gamma$, which may occur even if the photon energy is below the pair creation threshold ($E_{\gamma}<2mc^{2}$). In the cascade simulation the photon is emitted (or scattered in the case of ICS) from point $P_{{\rm ph}}$ in a direction tangent to the magnetic field line $\Delta\mathbf{s_{\parallel}}$. The direction vector is calculated as the value of the magnetic field at the point of photon creation (see Equations <ref>, <ref> and <ref>) normalised so that its length is equal to the desired step $\Delta\mathbf{s_{\parallel}}=\mathbf{B}\Delta s/B$. However, the direction of the magnetic field at the point of photon emission does not take into account the randomness of the emission direction due to the relativistic beaming effect. In Section <ref> we describe a procedure to include the beaming effect in the emission process which alters $\Delta\mathbf{s_{\parallel}}\rightarrow{\bf \Delta s_{ph}}$. Finally, we can write that at the point of curvature emission photons are created with energy $\epsilon_{{\rm ph}}$, polarisation $\parallel$ or $\perp$, weighting factor $N_{\epsilon}$ (number of photons), and with both optical depths (for pair production $\tau$ and for photon splitting $\tau_{{\rm sp}}$) set to zero. Since we neglect any banding of the photon path we assume that from the point of emission it travels in a straight line. In each following step the photon travels a distance ${\bf \Delta s_{ph}}$. In the co-rotating frame of reference in every step we need to take into the account aberration due to pulsar rotation. In order to do so, in every step we alter the photon position according to the procedure described in Section <ref>. As stated by 124 we can calculate the change in the pair production optical depth , $\Delta\tau$, and in the photon splitting optical depth $\Delta\tau_{{\rm sp}}$, at the new position as: \begin{equation} \Delta\tau\simeq\Delta s_{{\rm ph}}R_{\|,\perp}, \end{equation} \begin{equation} \Delta\tau_{{\rm sp}}\simeq\Delta s_{{\rm ph}}R_{\|,\perp}^{{\rm sp}}, \end{equation} where $R_{\|,\perp}$ and $R_{\|,\perp}^{{\rm sp}}$ are the attenuation coefficients for $\|$ or $\perp$ polarised photons for pair production and photon splitting, receptively. §.§ Relativistic beaming (emission direction) Due to relativistic beaming the emission direction should be modified by an additional emission angle of order $\sim1/\gamma$. We use the following steps to include the beaming effect in our simulation (see Figure <ref>). (I) The first step is rotation of the $xyz$ frame of reference in order to align the $z$-axis with $\mathbf{\Delta s_{\parallel}}$. In our calculations we used rotation by angle $\varsigma_{y}$ around the $y$-axis, $R_{y}\left(\varsigma_{y}\right)$, and rotation by angle $\varsigma_{x}$ around the $x$-axis, $R_{x}\left(\varsigma_{x}\right)$. The final rotation matrix can be written as \begin{equation} \cos\varsigma_{y} & \sin\varsigma_{x}\sin\varsigma_{y} & \sin\varsigma_{y}\cos\varsigma_{x}\\ 0 & \cos\alpha & -\sin\alpha\\ -\sin\varsigma_{y} & \cos\varsigma_{y}\sin\varsigma_{x} & \cos\varsigma_{y}\cos\varsigma_{x} \end{array}\right]. \end{equation} [Relativistic beaming effect of photon emission]Relativistic beaming effect of photon emission (for both CR and ICS). In the simulation we include the beaming effect by performing three steps: (I) rotation of the $xyz$ frame of reference in order to align the $z$-axis with $\mathbf{\Delta s_{\parallel}}$, (II) transformation of the step vector from a Cartesian to a spherical system of coordinates and alteration of the $\theta$ and $\phi$ components with random values $1/\gamma\cos\Lambda$ and $\Pi$, respectively, (III) transformation of the step vector from a spherical to a Cartesian system of coordinates and rotation back to the original system of reference. Note that after these steps we get a new vector ${\bf \Delta s_{ph}}$ inclined to the primary one, ${\bf \Delta s_{ph}}$, at an angle ranging from $0$ to $1/\gamma$. The Euler angles for rotations can be calculated as \begin{equation} \begin{array}{c} \varsigma_{x}={\rm atan2}\left(s_{y},s_{z}\right),\\ \varsigma_{y}=\begin{cases} \arctan\left(-\frac{s_{x}}{s_{z}}\cos\varsigma_{x}\right) & {\rm if\ }s_{z}\neq0\\ \arctan\left(-\frac{s_{x}}{s_{y}}\sin\varsigma_{x}\right) & {\rm if\ }s_{y}\neq0\\ \frac{\pi}{2} & {\rm if\ }s_{x}=0\ {\rm and}\ s_{y}=0. \end{cases} \end{array} \end{equation} Note that in order to increase readability, the $\Delta$ symbol and ${\rm \parallel}$ index were discarded (e.g. $s_{x}=\Delta s_{{\rm \parallel},x}$). (II) The second step is the transformation of the step vector's coordinates in the double rotated frame of reference ${\bf \Delta s_{{\rm ph}}^{\prime\prime}=}\left(s_{x}^{\prime\prime},\ s_{y}^{\prime\prime},\ s_{z}^{\prime\prime}\right)$ to spherical system of coordinates and alteration of the $\theta$ and $\phi$ components as follows \begin{eqnarray} s_{r}^{\prime\prime} & = & \sqrt{s_{x}^{\prime\prime2}+s_{y}^{\prime\prime2}+s_{z}^{\prime\prime2}},\nonumber \\ s_{\theta}^{\prime\prime} & = & \arccos\left(\frac{s_{z}^{\prime\prime}}{\sqrt{s_{x}^{\prime\prime2}+s_{y}^{\prime\prime2}+s_{z}^{\prime\prime2}}}\right)+\frac{1}{\gamma}\cos\Lambda,\nonumber \\ s_{\phi}^{\prime\prime} & = & \arctan\left(\frac{s_{y}^{\prime\prime}}{s_{x}^{\prime\prime}}\right)+\Pi, \end{eqnarray} where $\Lambda$ and $\Pi$ are random angles between $0$ and $2\pi$. The inverse tangent denoted in the $\phi$-coordinate must be suitably defined by taking into account the correct quadrant (see the “${\rm atan2}$” description in the footnote on page fn:model.atan2). (III) The last step is the transformation of vector components to the Cartesian system of coordinates, ${\bf s_{ph}^{\prime\prime}}=\left[s_{r}^{\prime\prime}\sin\left(s_{\theta}^{\prime\prime}\right)\cos\left(s_{\phi}^{\prime\prime}\right),\, s_{r}^{\prime\prime}\sin\left(s_{\theta}^{\prime\prime}\right)\sin\left(s_{\phi}^{\prime\prime}\right),\, s_{r}^{\prime\prime}\cos\left(s_{\theta}^{\prime\prime}\right)\right]$ and rotation back to the original coordinate system ${\bf \Delta s_{ph}}=\left(R_{yx}\right)^{-1}{\bf {\bf s_{ph}^{\prime\prime}}}$. The rotation matrix of this transformation can be written as \begin{equation} \left(R_{yx}\right)^{-1}=\left(R_{yx}\right)^{T}=\left[\begin{array}{ccc} \cos\varsigma_{y} & 0 & -\sin\varsigma_{y}\\ \sin\varsigma_{x}\sin\varsigma_{y} & \cos\varsigma_{x} & \sin\varsigma_{x}\cos\varsigma_{y}\\ \sin\varsigma_{y}\cos\varsigma_{x} & -\sin\varsigma_{x} & \cos\varsigma_{x}\cos\varsigma_{y} \end{array}\right]. \end{equation} §.§ Aberration due to pulsar rotation Note that in our frame of reference (co-rotating with a star) the path of the photon should be curved (see 84). In the dipolar case the angular deviation increases approximately as $s_{{\rm ph}}\Omega/c=s_{{\rm ph}}/R_{LC}$. When the configuration of magnetic field in non-dipolar inclusion of an aberration is even more important. Therefore, the location of photon decay should be modified to include the growth of the photon-magnetic field intersection In our simulation we include the aberration effect by alteration of photon position $P_{{\rm ph}}$ in every step ${\bf \Delta s_{ph}}$ (see Figure <ref>). [Aberration due to pulsar rotation] Aberration due to pulsar rotation. We use the following procedure to include the aberration effect: (I) rotation around the $y$-axis to align $\Omega$ with $\mu$, (II) rotation by angle $\omega=2\pi\Delta s_{{\rm bm}}/\left(cP\right)$ around the $z$-axis (which reflects the pulsar rotation), (III) rotation back to the original frame of reference (in which $\mu$ is aligned with the $z$-axis). We use the three-step procedure to alter the photon position. (I) Rotation of the $xyz$ frame of reference around the $y$-axis by angle $\alpha$, ${\bf P_{ph}^{\prime}}=R_{y}\left(\alpha\right){\bf P_{ph}}$. Note that here $\alpha$ refers to the inclination of the magnetic axis with respect to the rotation axis and we assume that the pulsar's angular velocity vector ${\bf \Omega}$ lies in the $xz$-plane. The rotation matrix of this transformation can be written as \begin{equation} \cos\alpha & 0 & \sin\alpha\\ 0 & 1 & 0\\ -\sin\alpha & 0 & \cos\alpha \end{array}\right]. \end{equation} (II) After step (I) the $z$-axis is aligned to $\Omega$, and in order to include the rotation of the pulsar we need to again rotate the frame of reverence by angle $\omega=2\pi\Delta s_{{\rm bm}}/\left(cP\right)$ around the $z$-axis, ${\bf P_{ph}^{\prime\prime}}=R_{z}\left(\omega\right){\bf P_{ph}^{\prime}}$. We use the following rotation matrix \begin{equation} \cos\omega & -\sin\omega & 0\\ \sin\omega & \cos\omega & 0\\ 0 & 0 & 1 \end{array}\right]. \end{equation} (III) The final step is a rotation back to the original frame of reference, ${\bf P_{ph}^{\prime\prime\prime}=}\left(R_{y}\left(\alpha\right)\right)^{-1}{\bf P_{ph}^{\prime\prime}}$, using the following rotation matrix \begin{equation} \left(R_{y}\left(\alpha\right)\right)^{-1}=\left(R_{y}\left(\alpha\right)\right)^{T}=\left[\begin{array}{ccc} \cos\alpha & 0 & -\sin\alpha\\ 0 & 1 & 0\\ \sin\alpha & 0 & \cos\alpha \end{array}\right]. \end{equation} §.§ Pair production attenuation coefficient The pair production attenuation coefficient can be written as [124] \begin{equation} \end{equation} where $R^{\prime}$ is the attenuation coefficient in the frame where the photon propagates perpendicular to the local magnetic field (the so-called ”perpendicular” frame), $\Psi$ is the intersection angle between the propagation direction of the photon and the local magnetic field. To increase readability we suppress the subscripts $\parallel$ and $\perp$, but english$R^{\prime}$ has to be calculated for both polarisations separately. As stated by 124 the total attenuation coefficient for pair production can be calculated as $R^{\prime}=\sum_{jk}R^{\prime}{}_{j,k}$, where $R{}_{j,k}^{\prime}$ is the attenuation coefficient for the process producing an electron in Landau level $j$ and a positron in Landau level $k$. For the electron-positron pair the sum is taken over all possible states ($j$ and $k$). Note that production of electron-positron pairs is symmetric $R{}_{jk}^{\prime}=R{}_{kj}^{\prime}$. Thus, to represent the pair creation probability in either the $\left(jk\right)$ or $\left(kj\right)$ state we will use $R{}_{jk}^{\prime}$. For a given Landau levels $j$ and $k$, the pair production threshold condition is [124] \begin{equation} \end{equation} where $E_{\gamma}^{\prime}=E_{\gamma}\sin\Psi$ is the photon energy in the perpendicular frame and $E_{n}^{\prime}=mc^{2}\sqrt{1+2\epsilon_{_{B}}n}$ is the minimum energy of a particle (electron or positron) in Landau Level $n$. This condition can be written in a dimensionless form as \begin{equation} \end{equation} where $\epsilon_{{\rm _{B}}}=\hbar eB/\left(mc\right)$ is the cyclotron energy of a particle (electron or positron) in magnetic field $B$ in units of $mc^{2}$. The first nonzero pair production attenuation coefficients for both polarisations ($\perp$ and $\parallel$) are [45, 124] \begin{equation} \end{equation} \begin{equation} \end{equation} \begin{equation} \end{equation} \begin{equation} \end{equation} \begin{equation} \end{equation} where $a_{0}$ is the Bohr radius (let us note that $R'_{\perp,00}=0$). In the above equations for all channels except $00$ the pair production attenuation coefficients are multiplied by a factor of two (see the text above Equation <ref>). The pair production optical depth is defined as [124]: \begin{equation} \tau=\int_{0}^{s_{{\rm ph}}}R(s){\rm d}s=\int_{0}^{s_{{\rm ph}}}R^{\prime}(s)\sin\Psi{\rm d}s.\label{eq:cascade.tau_in} \end{equation} We can assume $\Psi\ll1$, because all high-energy photons ($x>1$) will produce pairs much earlier than $\Psi$ reaches a value near unity. In this limit $\sin\Psi\simeq s_{{\rm ph}}/\Re$, so the relation between $x$ and $s_{{\rm ph}}$ can be expressed by \begin{equation} x\simeq\frac{s_{{\rm ph}}}{\Re}\frac{E_{\gamma}}{2mc^{2}}. \end{equation} Equation <ref> can be rewritten as \[ \tau=\tau_{1}+\tau_{\|,2}+\tau_{\perp,2}+...; \] \begin{equation} \tau_{1}=\int_{s_{0}}^{s_{1}}R_{\|,00}{\rm d}s,\hspace{0.5cm}\tau_{\|,2}=\int_{s_{1}}^{s_{2}}\left(R_{\|,00}+R_{\|,01}\right){\rm d}s,\hspace{0.5cm}\tau_{\perp,2}=\int_{s_{1}}^{s_{2}}R_{\perp,01}{\rm d}s, \end{equation} where $s_{0}$ and $s_{1}$ are distances which the photon should pass in order to have energy $x_{0}$ and $x_{1}$, respectively (in the perpendicular frame of reference). Let us note that $s_{0}$, $s_{1}$ and $s_{2}$ are of the same order, and if $s<s_{0}$ the attenuation coefficient is zero. The pair production optical depth to reach the second threshold is \begin{equation} \int_{s_{0}}^{s_{1}}{\rm d}sR_{\|,00}(s)=\frac{\epsilon_{{\rm _{B}}}}{2a_{0}}\left(\frac{2mc^{2}}{E_{\gamma}}\right)^{2}\Re\int_{x_{1}}^{x_{2}}\frac{{\rm d}x}{x\sqrt{x^{2}-1}}e^{-2x^{2}/\epsilon_{{\rm _{B}}}}, \end{equation} where $s_{0}$ is the distance travelled by the photon to reach the threshold $x_{0}\equiv1$, and $s_{1}$ is the distance travelled by the photon to reach the second threshold $x_{1}\equiv\left(1+\sqrt{1+2\epsilon_{{\rm _{B}}}}\right)/2$. (a - show_tau, 500 MeV, Re=1e6, size=1e2, b - show_tau_psi, 500 MeV, b=B_crit, Re=1e6, size=1e4, ) [Pair production optical depth ]Panel (a) presents the dependence of the pair production optical depth on the magnetic field strength ($\beta_{q}=B/B_{q}$). Panel (b) presents the dependence of the optical depth on photon energy in the perpendicular frame of reference ($x=\epsilon\sin\Psi/\left(2mc^{2}\right)$). On both panels the photon energy is $\epsilon=500\,{\rm MeV}$, while panel (b) was obtained for magnetic field strength $\beta_{q}=1$. §.§ Photon mean free path As was shown in the previous section (see Figure <ref>) for strong magnetic fields (e.g. $\beta_{q}\gtrsim0.2$), $\tau_{1}$, $\tau_{\|,2}$, and $\tau_{\perp,2}$ are much larger than one. Therefore, the pair production process takes place according to two scenarios (see also 124). If $\beta_{q}\gtrsim0.2$ pairs are produced by photons almost immediately upon reaching the first threshold, the created pairs will be in the low Landau levels ($n\lesssim2$). If $\beta_{q}\lesssim0.2$, the photons will travel longer distances to be absorbed and the created pairs will be in the higher Landau Thus, for strong magnetic fields ($\beta_{q}\gtrsim0.2$) the photon mean free path can be approximated as \begin{equation} l_{{\rm ph}}\approx s_{0}=\Re\frac{2mc^{2}}{E_{\gamma}},\label{eq:cascade.l_ph} \end{equation} while for relatively weak magnetic fields ($\beta_{q}\lesssim0.2$) we can use the asymptotic approximation derived by 55: \begin{equation} l_{{\rm ph}}\approx\frac{4.4}{(e^{2}/\hbar c)}\frac{\hbar}{mc}\frac{B_{q}}{B\sin\Psi}\exp\left(\frac{4}{3\chi}\right),\label{eq:cascade.l_ph2} \end{equation} \begin{equation} \chi\equiv\frac{E_{\gamma}}{2mc^{2}}\frac{B\sin\Psi}{B_{q}}\hspace{1cm}(\chi\ll1). \end{equation} §.§ Photon-splitting attenuation coefficient In our calculations we include photon splitting by following the approach presented by 124. Since only the $\perp\rightarrow\parallel\parallel$ process is allowed, for $\parallel$-polarised photons the photon splitting attenuation coefficient is zero $R_{\parallel}^{sp}=0$ (3, 176, 11). To calculate the splitting attenuation coefficient in the perpendicular frame for $\perp$-polarised photons we use the formula adopted from the numerical calculation of 10 : \begin{equation} R{}_{\perp}^{\prime{\rm sp}}\simeq\frac{\frac{\alpha_{f}^{2}}{60\pi^{2}}\left(\frac{26}{315}\right)^{2}\left(2x\right)^{5}\epsilon_{{\rm _{B}}}^{6}}{\left[\epsilon_{_{B}}^{3}\exp\left(-0.6x^{3}\right)+0.05\right]\left[0.25\epsilon_{{\rm _{B}}}^{3}\exp\left(-0.6x^{3}\right)+20\right]}. \end{equation} For photon energies $x\leq1$ this expression underestimates the results of 10 at $\beta_{q}=1$ by less than $30\%$, while at both $\beta_{q}\le0.5$ and $\beta_{q}\gg1$ the discrepancy is less than $10\%$. As can be seen from Figure <ref>, the attenuation coefficient $R{}_{\perp}^{\prime{\rm sp}}$ drops rapidly with the magnetic field strength for $\beta_{q}<1$, thus photon splitting is unimportant for $\beta_{q}\lesssim0.5$ (e.g. 11, 124). [Photon-splitting attenuation coefficient]Dependence of the photon-splitting attenuation coefficient on the energy of the photon in the perpendicular frame ($x=\epsilon\sin\Psi/\left(2mc^{2}\right)$, vertical axis) and on the strength of the magnetic field ($\beta_{q}=B/B_{q}$, horizontal axis). §.§ Pair creation vs photon splitting As noted by 124, even though the photon splitting attenuation coefficient above the first threshold ($x>x_{0}$) is much smaller than for pair production (see Figure <ref>), in ultrastrong magnetic fields ($\beta_{q}\gtrsim0.5$) the $\perp$-polarised photons split before reaching the first threshold (see Figure <ref>). On the other hand, the $\parallel$-polarised photons produce pairs in the zeroth Landau level. [Attenuation coefficients of pair production and photon splitting]Attenuation coefficients of pair production and photon splitting in the perpendicular frame of reference. Panel (a) was obtained using photon energy $E_{\gamma}=10^{3}\,{\rm MeV}$ and magnetic field strength $B=B_{q}=4.414\times10^{13}\,{\rm G}$ ($\beta_{q}=1$). Panel (b) presents calculations for photon energy $E_{\gamma}=10^{3}\,{\rm MeV}$ and magnetic field strength $B=2.5\times10^{14}\,{\rm G}$ ($\beta_{q}=5.7$). [Optical depth for pair production and photon splitting]Optical depth for pair production and photon splitting for $\perp$-polarised photons. Panel (a) presents results for $E_{\gamma}=10^{3}\,{\rm MeV}$ and $B=B_{q}=4.4\times10^{13}\,{\rm G}$ ($\beta_{q}=1$), while panel (b) was obtained using the same photon energy but a stronger magnetic field $B=2.5\times10^{14}\,{\rm G}$ ($\beta_{q}=5.7$). If $\beta_{q}=1$ the photon creates an electron-positron pair, while in an ultrastrong magnetic field ($\beta_{q}=5.7$) the photon splits before it reaches the first threshold, $x=x_{0}$. §.§ Secondary plasma Following the approach presented by 124 whenever $\tau\geq1$ and the threshold for pair production is reached ($x=x_{0}$ for $\parallel$-polarised photons and $x=x_{1}$ for $\perp$-polarised photons), the photon is turned into an electron-positron pair. Whereas if $\tau_{{\rm sp}}\geq1$ the photon is turned into two photons. Following the results of 10 we assume that the energy of parent photon is equally distributed between both newly created photons. A new $\parallel$-polarised photon is created with an energy $0.5\epsilon_{{\rm ph}}$ and weighting factor $2\Delta N_{\epsilon}$. We assume that the newly created photon travels in the same direction as the parent photon, ${\bf \Delta s_{ph}}$. Note that the photon should split with probability $1-e^{-\tau}$, but as shown by 124 for cascade results this effect is negligible. For $\beta_{q}\lesssim0.1$, the particles are produced in high Landau levels with energy equal to half of the photon energy each (see 45). In our calculations we assume that the newly created particles (electron-positron pairs) travel in the same direction as the photon. When $\beta_{q}\gtrsim0.1$, on the other hand, we choose the maximum allowed values of $j$ and $k$ for the newly created electron and positron. Note that for $\beta_{q}\gtrsim0.1$ the particles are created in low Landau levels. Figure <ref> presents the spectrum of Curvature Radiation for a dipolar and non-dipolar structure of magnetic field lines. Note the characteristic three peaks in the CR distribution for the non-dipolar structure. (379 - gamma=3.5e6, h=252e2 - manual photon_evolution=0, 373 photon_evolution=0) (plot_spectrum2 or t2) [Distribution of CR-photons produced by a single primary particle] Distribution of CR photons produced by a single primary particle for a dipolar (blue line) and non-dipolar (red line) structure of the magnetic field. The minimum radius of curvature in thee dipolar case is $\Re_{6}^{^{{\rm min}}}\approx50$, while in the non-dipolar case $\Re_{6}^{^{{\rm min}}}\approx2$. In both cases the radiation was calculated up to a distance of $D=100R$, and with an initial Lorentz factor of the primary particle $\gamma_{{\rm c}}=3.5\times10^{6}$. Formation of the peaks is caused by the fact that the particle passes regions with three different values of curvature: (I) just above the stellar surface, $z\approx1\,{\rm km}$, where curvature is the highest; (II) at altitudes where the influence of anomalies is comparable with the global dipole, $z\approx2.5\,{\rm km}$, also with strong curvature; (III) and at altitudes where the influence of anomalies is negligible, $z\gtrsim3.1R$, with approximately dipolar curvature (see Figure <ref>). Hence, the spectrum is a sum of radiation generated in a highly non-dipolar magnetic field (high energetic and soft $\gamma$-rays) and with radiation at higher altitudes where the magnetic field is dipolar (X-rays). The primary particle loses about $63\%$ and $1\%$ of its initial energy in the non-dipolar and dipolar case, respectively. As can be seen from the Figure, to get high emission of CR photons and, thus, a significant density of secondary plasma, a non-dipolar structure of the magnetic field is The high energetic photons produced in a strongly non-dipolar magnetic field will either split or create electron-positron pairs. Figure <ref> presents the distribution of particle energy created by CR photons. Note that for $\beta_{q}\lesssim0.1$ the pairs are created in high Landau levels and in order to get the final distribution of secondary plasma energy we should consider the loss of particle energy due to Synchrotron Radiation (see Section (plot_pairs, data/373_cr_1e04_100m_CR_noSR_PH_e5_leftline/ [Distribution of particle energy created by CR photons ] Distribution of particle energy created by CR photons calculated for a non-dipolar structure of the magnetic field. For this specific magnetic field configuration and initial parameters (see the caption of Figure <ref>) the secondary plasma multiplicity is $M_{{\rm sec}}\approx6\times10^{3}$. Note that this result does not include Synchrotron Radiation and the actual energies of the created pairs are lower as they lose their transverse momenta (see Section § SYNCHROTRON RADIATION When pairs (electrons and positrons) are created in high Landau Levels they radiate away their transverse momentum through Synchrotron Radiation (SR). The secondary positron (or electron) is created with energy $\gamma mc^{2}$ and pitch angle $\Psi$, which corresponds to a specific value of Landau Level $n$. Following 124 we choose the frame in which the particle has no momentum along the direction of external magnetic field. In such a frame of reference the particle propagates in a circular motion transverse to the magnetic field (the so-called ”circular” frame). The relation of the energy of the newly created particle in the circular frame of reference ($E_{\perp}=\gamma_{\perp}mc^{2}$) with the particle energy in the co-rotating frame can be written as [124] \begin{equation} \gamma_{\perp}=\sqrt{\gamma^{2}\sin^{2}\Psi+\cos^{2}\Psi}=\sqrt{1+2\epsilon_{_{B}}n}.\label{eq:cascade.gamma_perp} \end{equation} The power of synchrotron emission, $P_{{\rm SR}}$, can calculated as follows \begin{equation} P_{{\rm SR}}=\frac{2e^{2}}{3c^{3}}\left(\gamma_{\perp}^{2}-1\right)c^{2}\epsilon_{_{B}}^{2}, \end{equation} In the circular frame $E_{\perp}$, is radiated away through synchrotron emission after a particle travels a distance \begin{equation} l_{{\rm p}}^{{\rm SR}}\approx\left|\frac{E_{\perp}}{P_{{\rm SR}}}c\right|=\frac{\gamma_{\perp}mc^{3}}{\frac{2e^{2}}{3c^{3}}\left(\gamma_{\perp}^{2}-1\right)c^{2}\epsilon_{{\rm _{B}}}^{2}}. \end{equation} The particle (electron or positron) mean free path for SR is much shorter than for other relevant cascade processes (see Section <ref> for Curvature Radiation, and Section <ref> for ICS). In fact, it is so short that in our calculations we assume that before moving from its initial position the particle loses all of its perpendicular momentum $p_{\perp}$ due to SR (see 44, 124). Once the particle reaches the ground Landau level ($n=0$, $p_{\perp}=0$) its final energy can be calculate as \begin{equation} \gamma_{\parallel}=\left(1-\beta^{2}\cos^{2}\Psi\right)^{-1/2}=\gamma/\gamma_{\perp},\label{eq:cascade.gamma_par} \end{equation} here $\beta=v/c=\sqrt{1-1/\gamma^{2}}$ is the particle velocity in units of speed of light. Following the approach presented by 124, to simplify the simulation we assume that in the circular frame synchrotron photons are emitted isotropically in the plane of motion such that there is no perpendicular velocity change of the particle (the Lorentz factors $\gamma$ and $\gamma_{\perp}$ decrease but $\gamma_{\parallel}$ is constant). Thus, the Equation <ref> remains valid until the particle reaches the ground state. In order to simulate the full SR process the following procedure was adopted: the particle Lorentz factor in the circular frame $\gamma_{\perp}$ drops from its initial value to $\gamma_{\perp}=1$ (i.e., $n=0$) in a series of steps. Each step entails emission of one synchrotron photon, with energy $\epsilon_{_{\perp}}$ depending on the current value of $\gamma_{\perp}$. After the photon emission the energy of the particle is reduced by $\epsilon_{_{\perp}}$, $\Delta\gamma_{\perp}=\epsilon_{_{\perp}}/mc^{2}$. Subsequently, the particle with reduced energy emits a photon with a new value of $\epsilon_{_{\perp}}$. This process continues until the particle is at $n=0$ Landau level. Depending on the particle's Landau level $n$, the SR photon energy $\epsilon_{_{\perp}}$ is chosen in one of three ways. (I) When the particle is created in a high Landau Level ($n\geq3$), we choose the energy of the photon randomly but according to a probability based on the asymptotic synchrotron spectrum (e.g. 164, \begin{equation} \frac{{\rm d}^{2}N}{{\rm d}t{\rm d}\epsilon_{\perp}}=\frac{\sqrt{3}}{2\pi}\frac{\alpha_{f}\epsilon_{{\rm _{B}}}}{\epsilon_{\perp}}\times\left[f\cdot F\left(\frac{\epsilon_{\perp}}{f\epsilon_{{\rm _{SR}}}}\right)+\left(\frac{\epsilon_{\perp}}{\gamma_{\perp}mc^{2}}\right)^{2}G\left(\frac{\epsilon_{_{\perp}}}{f\epsilon_{{\rm _{SR}}}}\right)\right],\label{eq:cascade.synchrotron_spectrum} \end{equation} \begin{equation} \epsilon_{_{{\rm SR}}}=\frac{3}{2}\gamma_{\perp}^{2}\hbar\epsilon_{_{B}} \end{equation} is the characteristic energy of the synchrotron photons, $f=1-\epsilon_{_{\perp}}/\left(\gamma_{\perp}mc^{2}\right)$ is the fraction of the electron's energy after photon emission, $F\left(x\right)=x\int_{x}^{\infty}K_{5/3}\left(t\right){\rm d}t$, and $G\left(x\right)=xK_{2/3}\left(x\right)$. The functions $K_{5/3}$ and $K_{2/3}$ correspond to modified Bessel functions of the second kind. The expression in Equation <ref> differs from the classical synchrotron spectrum (e.g. 157) by a factor of $f=1-\epsilon_{_{\perp}}/\left(\gamma_{\perp}mc^{2}\right)$ which appears in several places in Equation <ref> and by a term with the function $G\left(x\right)$. Note that in the classical expressions for the total radiation spectra these terms cancel out. However, as noted by 124 when the quantum effects are considered there is asymmetry between the perpendicular and parallel polarisations such that term $G\left(x\right)$ remain. (II) If $n=2$, the photon's energy is either that required to lower the particle energy to its first excited state ($n=1$) or to the ground state ($n=0$). The probability of each process depends on the local magnetic field strength. We use the simplified prescription based on the results of 88 to calculate the transition rates (see also 83). If $\beta_{q}<1$ the energy of the photon is set to lower the particle energy to the first excited state, $\epsilon_{_{\perp}}=mc^{2}\left(\sqrt{1+4\beta_{q}}-\sqrt{1+2\beta_{q}}\right)$. If $\beta_{q}\gtrsim1$ the photon's energy is randomly chosen to be that which is required to lower the particle energy to either the first excited state, or the ground state ($\epsilon_{\perp}=mc^{2}\left(\sqrt{1+4\beta_{q}}-1\right)$), with probability $50\%$ each. (III) When $n=1$, the photon's energy is chosen to lower the particle's energy to its ground state, $\epsilon_{_{\perp}}=mc^{2}\left(\sqrt{1+2\beta_{q}}-1\right)$. If after emission of SR photon the particle is not in the ground state, $\gamma_{\perp}$ is recalculated and a new energy of photon is chosen. The photon energy in the co-rotating frame can be calculated as \begin{equation} \epsilon=\gamma_{\parallel}\epsilon_{_{\perp}}. \end{equation} The weighting factor of the emitted photon is the same as the secondary particle that emitted it ($\Delta N_{\epsilon}$ ). In the circular frame the photon is emitted in a random direction perpendicular to the magnetic field. Hence, in the co-rotating frame the emission angle can be calculated using Equations <ref> and <ref> as follows \begin{equation} \Psi=\arcsin\sqrt{\frac{\gamma_{\perp}^{2}-1}{\gamma_{\perp}^{2}\gamma_{\parallel}^{2}-1}}\cos\Pi, \end{equation} where $\Pi$ is a random number from $0$ to $2\pi$. In our simulation we include this emission angle by using the same approach as presented in Section <ref>, but as the maximum value we use $\Psi$ instead of $1/\gamma$. The polarisation fraction of SR photons is the exact opposite of the CR case and it ranges from $50\%$ to $100\%$ polarised perpendicular to the magnetic field. Following the approach presented by 124 in our calculations the photon polarisation is randomly assign in the ratio of one $\parallel$ to every seven $\perp$ photons, which corresponds to a $75\%$ perpendicular polarisation. Figure <ref> presents the distribution of SR produced by a single secondary particle. To show the nature of the distribution, a relatively high pitch angle was used. Note that when a particle is created at a distance where the magnetic field is relatively weak (e.g. $\beta_{q}=10^{-5}$ for $\gamma=10^{2}$) then most of the energy is radiated in the range of $1-10\,{\rm keV}$. Thus, we believe that if a strong enough instability forms (that increases the particle's pitch angle), the SR process could be responsible for the production of a non-thermal component of the X-ray spectrum. ~/Programs/magnetic/magnetic/src/cascade/sr.py (show_spectrum_new) [Distribution of SR produced by a single secondary particle] Distribution of SR produced by a single secondary particle with Lorentz factor $\gamma=10^{2}$. We have assumed that the particle was created in a region where the magnetic field strength was $B=4.14\times10^{8}$ ($\beta_{q}=10^{-5}$) and with a pitch angle $\Psi=7^{\circ}$. For such a relatively high pitch angle the particle loses most of its energy ending with Lorentz factor $\gamma_{{\rm end}}\approx6$. Figure <ref> presents the final spectrum produced by a single primary particle with an initial Lorentz factor of $\gamma_{{\rm c}}=3.5\times10^{6}$ for a non-dipolar configuration of the surface magnetic field of PSR J0633+1746 (see Section <ref>). Due to CR the particle loses about $68\%$ of its initial energy ($\Delta\epsilon=2.2\times10^{6}mc^{2}$), which is radiated mainly in close vicinity of a neutron star, where curvature of the magnetic field is the highest. As the $\gamma$-photons propagate they will split (only if the magnetic field is strong enough) and eventually most photons will be absorbed by the magnetic field - as a result electron-positron pairs emerge. These pairs radiate away their transverse momenta through SR, producing mainly X-ray photons (at larger distances) and only a few $\gamma$-photons (in a strong magnetic field just above the stellar surface). Note that at the end (after pair production) only $14\%$ of the primary particle's energy ($\Delta\epsilon_{{\rm ph}}=4\times10^{5}mc^{2}$) is converted into photons and the bulk of its energy, $54\%$ ($\Delta\epsilon_{{\rm pairs}}=1.8\times10^{6}mc^{2}$), is allocated into secondary plasma. The multiplicity for this specific simulation is of the order $M_{{\rm sec}}=10^{4}$. Note that we use $M_{{\rm sec}}$ to describe the multiplicity of secondary plasma in contrast to $M_{{\rm pr}}$ which describes particle multiplicity in the IAR. [Final photon distribution produced by a single primary particle [CR]]Final photon distribution produced by a single primary particle. The blue line corresponds to the initial CR photons distribution for a non-dipolar structure of the magnetic field, while the red line presents the final distribution with the inclusion of photon splitting, pair production and SR. Figure <ref> presents the distribution of particle energy created by CR photons but with the inclusion of SR emission (red line). Note that synchrotron emission both lowers the particle energy (after SR maximum at $\gamma\approx5-8$, while without SR at $\gamma\approx15-20$) and increases the multiplicity of secondary plasma $M_{{\rm sec}}\approx10^{4}$. (plot_pairs2;373_cr_1e05_10m_CR_noSR_PH_e4_leftline, 373_cr_1e05_10m_CR_SR_e4_leftline) [Distribution of particle energy created by CR photons] Distribution of particle energy created by CR photons calculated for a non-dipolar structure of the magnetic field. For this specific magnetic field configuration and initial parameters (see the caption of Figure <ref>) the secondary plasma multiplicity is $M_{{\rm sec}}\approx10^{4}$. Note that this result does not include Synchrotron Radiation and the actual energies of the created pairs are lower as they lose their transverse momenta (see Section <ref>). § INVERSE COMPTON SCATTERING The Inverse Compton Scattering (hereafter ICS) process in the neutron star vicinity has been studied extensively by 183, 100, 184, 46, 50, 51, 20, 32, 165, 189, 190, 188, 82, etc. According to these studies, the ICS process may play a significant role in the physics of a neutron star's magnetosphere. Relativistic particles (positrons and electrons) can Compton-scatter thermal radiation from the neutron star surface. As a particle with a certain relativistic velocity scatters the thermal photons with a blackbody distribution, it will produce radiation in quite a wide energy range. However, we can distinguish two characteristic frequencies of upscattered photons: one is the frequency due to resonant scattering, another is the range of frequencies contributed by the scattering of photons with frequencies around the ”thermal-peak”. The Resonant Inverse Compton Scattering (RICS) corresponds to a scenario when the scattering cross section is largest. On the other hand, Thermal-peak Inverse Compton Scattering (TICS) corresponds to interactions with photons with the maximum number density. These two modes are very different when it comes to the nature of the process. The photons' energy in RICS depends on the strength of the magnetic field, thus at low altitudes (where the field is very strong), it can power pair cascades, while TICS can be responsible for magnetospheric radiation at much higher altitudes. Note that for some specific combinations of magnetic strength and distribution of background photons, RICS and TICS are indistinguishable as the resonance frequency falls into the thermal peak range. §.§ The cross section of ICS Due to the rapid time scale for synchrotron emission (see section <ref>), a particle in an excited Landau level almost instantaneously de-excites to the ground level. The particle motion is therefore strongly confined to the magnetic field direction. In our calculations we consider the geometry illustrated in Figure <ref>. In the observer's frame of reference (OF), a particle with Lorentz factor $\gamma$ travelling along the magnetic field line scatters a photon. Let $\psi=\arccos\mu$ be the angle between the magnetic field line (particle propagation) and the direction of photon propagation in OF and $\psi^{\prime}=\arccos\mu^{\prime}$ in the particle rest frame (PRF). The energy of the photon in PRF is given by \begin{equation} \epsilon^{\prime}=\gamma\epsilon\left(1-\beta\mu\right).\label{cascade.erf_phot_eng} \end{equation} After scattering, the photon energy is denoted by $\epsilon{}_{s}^{\prime}$ in PRF and $\epsilon_{s}$ in OF. The angle between the direction of propagation of the scattered photon and ${\bf B}$ (which describes the direction of particle propagation) is denoted by $\psi_{s}=\arccos\mu_{s}$ in OF and $\psi{}_{s}^{\prime}=\arccos\mu{}_{s}^{\prime}$, where in PRF [51]. [Geometry of Inverse Compton Scattering] Reproduction of the Figure from 51. Geometry of the ICS event in the observer's frame (left) and the particle rest frame (right). A particle with Lorentz factor $\gamma$, beamed along the direction of the magnetic field, scatters a photon with energy $\epsilon$ directed at angle $\psi$ with respect to the magnetic field line. After scattering, the energy and angle of the photon are denoted by $\epsilon_{s}$ and $\psi_{s}$, respectively. Quantities in the particle rest frame are denoted by a prime. §.§.§ ICS cross section in the Thomson regime Restriction to the Thomson regime requires that $\gamma\epsilon\left(1-\mu\right)\ll1$. In the particle rest frame, the angle $\psi^{\prime}=\arcsin\left\{ \gamma^{-1}\left[\sin\psi/\left(1-\beta\cos\psi\right)\right]\right\} $, and when $\gamma\gg1$, $\left|\mu^{\prime}\right|\to1$. In the Thomson regime the only important Compton scattering process involves transitions between ground-state Landau levels. 46 and 50 calculated the differential cross section (after summing over polarisation modes and integrating over azimuth) for a photon scattered from $\psi^{\prime}=0^{\circ}$ into angle $\psi{}_{s}^{\prime}=\arccos\mu{}_{s}^{\prime}$ as follows \begin{equation} \frac{{\rm d}\sigma^{\prime}}{{\rm d}\mu{}_{s}^{\prime}}=\frac{3\sigma_{_{{\rm T}}}}{16}\left(1+\mu{}_{s}^{\prime2}\right)\left[\frac{\epsilon{}^{\prime2}}{\left(\epsilon^{\prime}+\epsilon_{_{B}}\right){}^{2}}+\frac{\epsilon{}^{\prime2}}{\left(\epsilon^{\prime}-\epsilon_{_{B}}\right){}^{2}+\left(\Gamma/2\right){}^{2}}\right],\label{cascade.ics_simple_cross} \end{equation} where $\Gamma=4\alpha_{f}\epsilon_{_{B}}^{2}/3$ is the resonant width [47, 184], $\sigma_{_{{\rm T}}}$ is the Thomson cross section, and $\alpha_{f}=e^{2}/\hbar c$ is the fine-structure constant. In the Thomson limit $\epsilon^{\prime}\ll1$, and thus the scattered photon energy in PRF can be approximated as \begin{equation} \epsilon{}_{s}^{\prime}\simeq\epsilon^{\prime}+\epsilon{}^{\prime2}(\mu^{\prime}-\mu{}_{s}^{\prime})^{2}/2\approx\epsilon^{\prime}.\label{cascade.ics_simple_scateng} \end{equation} Equations <ref> and <ref> show that a differential magnetic Compton scattering cross section when $\gamma\gg1$ is similar in form to a nonmagnetic Thomson cross section. The important difference is that the magnitude of the cross section is enhanced when $\epsilon^{\prime}$ approaches $\epsilon_{_{B}}$ and is depressed at energies $\epsilon^{\prime}<\epsilon_{_{B}}$. The total cross section for magnetic Compton scattering, obtained by integrating Equation <ref> over $\mu{}_{s}^{\prime}$, was calculated by 50, 190 and is given by \begin{equation} \sigma^{\prime}=\frac{\sigma_{_{{\rm IC}}}}{2}\left[\frac{u^{2}}{\left(u+1\right){}^{2}}+\frac{u^{2}}{\left(u-1\right){}^{2}+a^{2}}\right],\label{eq:cascade.ics_cross} \end{equation} where $\sigma_{_{{\rm IC}}}=\sigma_{{\rm _{T}}}$, $\sigma_{{\rm _{T}}}$ is the Thomson cross section, $u=\epsilon^{\prime}/\epsilon_{_{B}}$, §.§.§ ICS cross section in the Klein-Nishina regime The Klein-Nishina regime includes quantum effects due to the relativistic nature of scattering, and it requires that $\gamma\epsilon\left(1-\mu\right)\gtrsim1$. The principal effect is to reduce the cross section from its classical value as the photon energy in PRF becomes large. In the Klein-Nishina regime instead of $\sigma_{{\rm _{IC}}}=\sigma_{_{{\rm T}}}$ we can use the following relationship \begin{equation} \sigma_{_{{\rm IC}}}=\sigma_{_{{\rm KN}}}=\frac{3}{4}\sigma_{_{{\rm T}}}\left\{ \frac{1+\epsilon^{\prime}}{\epsilon^{\prime3}}\left[\frac{2\epsilon^{\prime}\left(1+\epsilon^{\prime}\right)}{1+2\epsilon^{\prime}}-\ln\left(1+2\epsilon^{\prime}\right)\right]+\frac{1}{2\epsilon^{\prime}}\ln\left(1+2\epsilon^{\prime}\right)-\frac{1+3\epsilon^{\prime}}{\left(1+2\epsilon^{\prime}\right)^{2}}\right\} . \end{equation} In an extreme relativistic regime $\epsilon^{\prime}\gg1$ the Klein-Nishina formula can be simplified to \begin{equation} \sigma_{{\rm _{KN}}}\approx\frac{3}{8}\sigma_{_{{\rm T}}}\epsilon^{\prime-1}\left[\ln\left(2\epsilon^{\prime}\right)+\frac{1}{2}\right].\label{eq:cascade.kn_cross} \end{equation} The above formula clearly shows that Inverse Compton Scattering is less efficient for photons with energy in PRF significantly exceeding particle rest energy. §.§.§ QED Compton Scattering cross section Previous studies on upscattering and energy loss by relativistic particles have used the non-relativistic, magnetic Thomson cross section for resonant scattering or the Klein-Nishina cross section for thermal-peak scattering. As noted by 71, this approach does not account for the relativistic quantum effects of strong magnetic fields ($B>10^{12}\,{\rm G}$). When the photon energy exceeds $mc^{2}$ in the particle rest frame, the strong magnetic field significantly lowers the Compton scattering cross section below and at the resonance. 71 developed expressions for the scattering of ultrarelativistic electrons with $\gamma\gg1$ moving parallel to the magnetic field. Because of the large Lorentz Factor of particle $\gamma$, the photon incident angle $\psi$ gets Lorentz concentrated to $\psi^{\prime}\approx\psi/2\gamma\approx0^{\circ}$ in the PRF. The differential cross section in the rest frame of the particle can be written as \begin{equation} \frac{{\rm d}\sigma{}_{\|,\perp}^{\prime}}{{\rm d}\cos\psi{}_{s}^{\prime}}=\frac{3\sigma_{_{{\rm T}}}}{16\pi}\frac{\epsilon{}_{s}^{\prime2}e^{-\epsilon{}_{s}^{\prime2}\sin^{2}\left(\psi_{s}^{\prime}/2\epsilon_{_{B}}\right)}}{\epsilon^{\prime}\left(2+\epsilon^{\prime}-\epsilon{}_{s}^{\prime}\right)\left[\epsilon{}_{s}^{\prime}+\epsilon^{\prime}\epsilon{}_{s}^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}\right]}\frac{1}{l!}\left(\frac{\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}}{2\epsilon_{_{B}}}\right)G_{\|,\perp},\label{eq:cascade.cross_gonthier2} \end{equation} \begin{equation} \end{equation} \begin{equation} \begin{split}\hat{G}_{\mathrm{no-flip}}^{\|}= & \int_{0}^{2\pi}\left|G_{\mathrm{no-flip}}^{\|,\|}\right|^{2}{\rm d}\phi^{\prime}=\int_{0}^{2\pi}\left|G_{\mathrm{no-flip}}^{\perp,\|}\right|^{2}{\rm d}\phi^{\prime}=\\ = & 2\pi\left\{ \left[\left(B_{1}+B_{3}+B_{7}\right)\cos\psi{}_{s}^{\prime}-\left(B_{2}+B_{6}\right)\sin\psi{}_{s}^{\prime}\right]^{2}+\left(B_{4}\cos\psi{}_{s}^{\prime}-B_{5}\sin\psi{}_{s}^{\prime}\right)^{2}\right\} ,\\ \hat{G}_{\mathrm{no-flip}}^{\perp}= & \int_{0}^{2\pi}\left|G_{\mathrm{no-flip}}^{\|,\perp}\right|^{2}{\rm d}\phi^{\prime}=\int_{0}^{2\pi}\left|G_{\mathrm{no-flip}}^{\perp,\perp}\right|^{2}{\rm d}\phi^{\prime}=\\ = & 2\pi\left[\left(B_{1}-B_{3}-B_{7}\right)^{2}+B_{4}^{2}\right],\\ \hat{G}_{\mathrm{flip}}^{\|}= & \int_{0}^{2\pi}\left|G_{\mathrm{flip}}^{\|,\|}\right|^{2}{\rm d}\phi^{\prime}=\int_{0}^{2\pi}\left|G_{\mathrm{flip}}^{\perp,\|}\right|^{2}{\rm d}\phi^{\prime}=\\ = & 2\pi\left\{ \left[\left(C_{1}+C_{3}+C_{7}\right)\cos\psi{}_{s}^{\prime}-\left(C_{2}+C_{6}\right)\sin\psi{}_{s}^{\prime}\right]^{2}+\left(C_{4}\cos\psi{}_{s}^{\prime}-C_{5}\sin\psi{}_{s}^{\prime}\right)^{2}\right\} ,\\ \hat{G}_{\mathrm{flip}}^{\perp}= & \int_{0}^{2\pi}\left|G_{\mathrm{flip}}^{\|,\perp}\right|^{2}{\rm d}\phi^{\prime}=\int_{0}^{2\pi}\left|G_{\mathrm{flip}}^{\perp,\perp}\right|^{2}{\rm d}\phi^{\prime}=\\ = & 2\pi\left[\left(C_{1}-C_{3}-C_{7}\right)^{2}+C_{4}^{2}\right]. \end{split} \end{equation} The imaginary terms and the $\phi^{\prime}$ dependence are isolated in the polarisation components and in the phase exponentials, leading to elementary integrations over the azimuthal angle, $\phi^{\prime}$ The differential cross section depends on the final Landau state $l$, thus a sum must be calculated over all the contributing Landau states. The energy of the scattered photon is given by [71] \begin{equation} \epsilon{}_{s}^{\prime}=\frac{2\left(\epsilon^{\prime}-l\epsilon_{_{B}}\right)}{1+\epsilon^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)+\left\{ \left[1+\epsilon^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)\right]^{2}-2\left(\epsilon^{\prime}-l\epsilon_{_{B}}\right)\sin^{2}\psi{}_{s}^{\prime}\right\} ^{\frac{1}{2}}}, \end{equation} where $l$ is the final Landau level of the scattered particle. Each final state has an energy threshold of $l\epsilon_{_{B}}$, thus the maximum contributing Landau state $l_{{\rm max}}$ can be expressed as: $\epsilon^{\prime}/\epsilon_{_{B}}-1<l_{{\rm max}}<\epsilon^{\prime}/\epsilon_{_{B}}$. To obtain the energy-dependent cross section, the Romberg's method can be used to numerically integrate the differential cross section over $\psi{}_{s}^{\prime}$. For this particular case (scattering of relativistic particles) there is only one resonance appearing at the fundamental cyclotron frequency $\epsilon_{_{B}}=\beta_{q}=eB/\left(mc\right)$. The values of $B$ and $C$ can be expressed as: \begin{equation} \begin{split}B_{1}= & \frac{2\epsilon^{\prime}-\epsilon^{\prime}\epsilon{}_{s}^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)}{2\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)},\\ B_{2}= & -\frac{\left(\epsilon^{\prime}-\epsilon{}_{s}^{\prime}\cos\psi{}_{s}^{\prime}\right)\left(2l\epsilon_{_{B}}-\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}\right)+2l\epsilon_{_{B}}\epsilon^{\prime}}{2\epsilon{}_{s}^{\prime}\sin\psi{}_{s}^{\prime}\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)},\\ B_{3}= & \frac{l\epsilon_{_{B}}\left(2l\epsilon_{_{B}}-2\epsilon_{_{B}}-\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}\right)}{\epsilon{}_{s}^{\prime2}\sin^{2}\left[\psi{}_{s}^{\prime}\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)\right]},\\ B_{4}= & -\frac{2\epsilon{}_{s}^{\prime}+\epsilon^{\prime}\epsilon{}_{s}^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}}{2\left[\epsilon^{\prime}\epsilon{}_{s}^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon^{\prime}-\epsilon_{_{B}}\right]},\\ B_{5}= & -\frac{\left(\epsilon^{\prime}-\epsilon{}_{s}^{\prime}\cos\psi{}_{s}^{\prime}\right)\epsilon{}_{s}^{\prime}\sin\psi{}_{s}^{\prime}}{2\left[\epsilon^{\prime}\epsilon{}_{s}^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon^{\prime}-\epsilon_{_{B}}\right]},\\ B_{6}= & \frac{l\epsilon_{_{B}}\cos\psi{}_{s}^{\prime}}{\sin\psi{}_{s}^{\prime}\left[\epsilon^{\prime}\epsilon{}_{s}^{\prime}\left(1-\cos\psi_{s}^{\prime}\right)-\epsilon^{\prime}+\epsilon_{_{B}}\right]},\\ B_{7}= & \frac{2l\left(l-1\right)\epsilon_{_{B}}^{2}}{\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}\left[\epsilon^{\prime}\epsilon{}_{s}^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon^{\prime}+\epsilon_{_{B}}\right]},\\ C_{1}= & \sqrt{2l\epsilon_{_{B}}}\frac{\epsilon^{\prime}}{2\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)},\\ C_{2}= & -\sqrt{2l\epsilon_{_{B}}}\frac{2\epsilon^{\prime}+2\epsilon^{\prime}{}^{2}-\epsilon^{\prime}\epsilon{}_{s}^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-2l\epsilon_{_{B}}+\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}}{2\epsilon^{\prime}{}_{s}\sin\psi{}_{s}^{\prime}\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)},\\ C_{3}= & \sqrt{2l\epsilon_{_{B}}}\frac{\left(\epsilon^{\prime}-\epsilon_{s}^{\prime}\cos\psi{}_{s}^{\prime}\right)\left(2l\epsilon_{_{B}}-2\epsilon_{_{B}}-\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}\right)}{2\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)},\\ C_{4}= & -\sqrt{2l\epsilon_{_{B}}}\frac{\epsilon{}_{s}^{\prime}\cos\psi{}_{s}^{\prime}}{2\left[\epsilon{}_{s}^{\prime}\epsilon^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon^{\prime}-\epsilon_{_{B}}\right]},\\ C_{5}= & \sqrt{2l\epsilon_{_{B}}}\frac{\epsilon{}_{s}^{\prime}\sin\psi{}_{s}^{\prime}}{2\left[\epsilon{}_{s}^{\prime}\epsilon^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon^{\prime}-\epsilon_{_{B}}\right]},\\ C_{6}= & -\sqrt{2l\epsilon_{_{B}}}\frac{2\epsilon{}_{s}^{\prime}+\epsilon^{\prime}\epsilon{}_{s}^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}}{2\epsilon{}_{s}^{\prime}\sin\psi{}_{s}^{\prime}\left[\epsilon{}_{s}^{\prime}\epsilon^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon^{\prime}+\epsilon_{_{B}}\right]},\\ C_{7}= & \sqrt{2l\epsilon_{_{B}}}\frac{\left(l-1\right)\epsilon_{_{B}}\left(\epsilon^{\prime}-\epsilon{}_{s}^{\prime}\cos\psi{}_{s}^{\prime}\right)}{\epsilon{}_{s}^{\prime2}\sin^{2}\psi{}_{s}^{\prime}\left[\epsilon{}_{s}^{\prime}\epsilon^{\prime}\left(1-\cos\psi{}_{s}^{\prime}\right)-\epsilon^{\prime}+\epsilon_{_{B}}\right]}. \end{split} \end{equation} Although the expressions presented above describe the exact cross section for ICS in strong magnetic fields, due to their complexity their usage in cascade simulation is limited. §.§.§ Approximate cross section (final states l=0) An approximation to the exact $l=0$ differential cross section can be given by assuming that the scattering is significantly below the resonance, where $\epsilon^{\prime}<\epsilon_{_{B}}$ and also $\epsilon^{\prime}<1$. 71 showed that by keeping only terms to first order in $\epsilon^{\prime}$ and $\epsilon{}_{s}^{\prime}$ in the region of validity, it agrees very well with the exact $l=0$ cross section. The approximation overestimates the exact $l=0$ cross section above the region of validity $\epsilon^{\prime}>\epsilon_{_{B}}$. However, the approximation is close to the total cross section for both energy regions ($\epsilon^{\prime}<\epsilon_{_{B}}$ and $\epsilon^{\prime}>\epsilon_{_{B}}$ ), even for high magnetic field strengths (see Figure <ref>). According to 71, the polarisation-dependent and averaged, approximate cross section can be calculated as: \begin{equation} \sigma{}^{\prime\|\rightarrow\|}=\sigma{}^{\prime\perp\rightarrow\|}=\frac{3\sigma_{_{{\rm T}}}}{16}\left[g\left(\epsilon^{\prime}\right)-h\left(\epsilon^{\prime}\right)\right]\left[\frac{1}{\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)^{2}}+\frac{1}{\left(\epsilon^{\prime}+\epsilon_{_{B}}\right)^{2}}\right], \end{equation} \begin{equation} \sigma{}^{\prime\|\rightarrow\perp}=\sigma{}^{\prime\perp\rightarrow\perp}=\frac{3\sigma_{_{{\rm T}}}}{16}\left[f\left(\epsilon^{\prime}\right)-2\epsilon^{\prime}h\left(\epsilon^{\prime}\right)\right]\left[\frac{1}{\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)^{2}}+\frac{1}{\left(\epsilon^{\prime}+\epsilon_{_{B}}\right)^{2}}\right], \end{equation} \begin{equation} \sigma{}_{{\rm avg}}^{\prime}=\frac{3\sigma_{_{{\rm T}}}}{16}\left[g\left(\epsilon^{\prime}\right)+f\left(\epsilon^{\prime}\right)-\left(1+2\epsilon^{\prime}\right)h\left(\epsilon^{\prime}\right)\right]\left[\frac{1}{\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)^{2}}+\frac{1}{\left(\epsilon^{\prime}+\epsilon_{_{B}}\right)^{2}}\right],\label{cascade.cross_gonthier} \end{equation} \begin{equation} \begin{array}{c} \end{array} \end{equation} \begin{equation} \end{equation} \begin{equation} h\left(\epsilon^{\prime}\right)=\left\{ \begin{array}{ll} \frac{\epsilon{}^{\prime2}}{\sqrt{\epsilon^{\prime}\left(2-\epsilon^{\prime}\right)}}\arctan\left[\frac{\sqrt{\epsilon^{\prime}\left(2-\epsilon^{\prime}\right)}}{1+\epsilon^{\prime}}\right] & \mbox{ for \ensuremath{\epsilon^{\prime}<2}},\\ \frac{\epsilon^{\prime}{}^{2}}{2\sqrt{\epsilon^{\prime}\left(\epsilon^{\prime}-2\right)}}\ln\left[\frac{\left(1+\epsilon^{\prime}+\sqrt{\epsilon^{\prime}(\epsilon^{\prime}-2)}\right)^{2}}{1+4\epsilon^{\prime}}\right] & \mbox{ for \ensuremath{\epsilon^{\prime}>2}}. \end{array}\right. \end{equation} Figure <ref> presents the total approximate cross section of Compton scattering, the exact QED cross section (summed over all contributing final electron/positron Landau states) and the exact cross section for final Landau state $l=0$ as a function of energy of the incident photon in PRF (in units of cyclotron energy, $\epsilon^{\prime}/\epsilon_{_{B}}$). As mentioned above, the approximation is valid in the region below the resonance, $\epsilon^{\prime}<\epsilon_{_{B}}$. Although the approximation overestimates the cross section for $l=0$ final Landau state in the regime of high energetic photons ($\epsilon^{\prime}>\epsilon_{_{B}}$), it can be used in this regime as the approximation of the total cross section. In our simulation we use this approach to calculate the total ICS cross section in both regimes, $\epsilon^{\prime}<\epsilon_{_{B}}$ and $\epsilon^{\prime}>\epsilon_{_{B}}$. Calculation of the cross section for the resonance frequency ($\epsilon^{\prime}=\epsilon_{{\rm _{B}}}$) is presented in the next section. [Total cross section of ICS as a function of an incident photon energy] Total cross section of Compton scattering (in Thomson units) as a function of an incident photon energy in PRF (in units of the cyclotron energy) calculated for a magnetic field strength $B_{14}=3.5$. The exact QED scattering cross section, summed over all contributing final electron/positron Landau states, is indicated as the red dotted curve. The cross section for final Landau states $l=0$ is plotted as a blue dashed line. §.§ Resonant Compton Scattering This section describes an approach used to calculate the RICS cross section for ultrastrong magnetic fields ($B>10^{12}\,{\rm G}$). For weaker fields the calculations are much simpler and resonance is already included in Equation <ref>. The trend as $\beta_{q}$ increases is for the magnitude of the cross section to drop at all energies. For weaker magnetic fields ($\beta_{q}<1$) the width of the resonance increases with increasing $\beta_{q}$, but for $\beta_{q}\ge1$ this width actually declines. Since the resonance is formally divergent, the common practice (see 184, 112, 46, 51, 80, 9, 81, 12, 13) is to truncate it at $\epsilon^{\prime}=\epsilon_{_{B}}$ by introducing a finite width $\Gamma$. The procedure is to replace the resonant $\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)^{2}$ denominator (see Equations <ref> and <ref>) by $\left[\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)^{2}+\Gamma^{2}/4\right]$. In the $\beta_{q}\ll1$ regime, the cyclotron decay width assumes the well-known result $\Gamma\approx4\alpha_{f}\epsilon_{_{B}}^{2}/3$ in dimensionless units. When $\beta_{q}\gg1$, quantum and recoil effects generate $\Gamma\approx\alpha_{f}\epsilon_{_{B}}\left(1-1/\tilde{e}\right)$ where $\tilde{e}$ is Euler's number (e.g. see 14). These widths lead to areas under the resonance being independent of $\epsilon_{_{B}}$ in the magnetic Thomson regime of $\beta_{q}\ll1$ and scaling as $\epsilon_{_{B}}^{1/2}$ when $\beta_{q}\gg1$. These results can be deduced using the $l=0$ approximation derived in Equation <ref>. By using this approach the averaged, approximate cross section can be written as \begin{equation} \sigma{}_{{\rm avg}}^{\prime}=\frac{3\sigma_{_{{\rm T}}}}{16}\left[g\left(\epsilon^{\prime}\right)+f\left(\epsilon^{\prime}\right)-\left(1+2\epsilon^{\prime}\right)h\left(\epsilon^{\prime}\right)\right]\left[\frac{1}{\left(\epsilon^{\prime}-\epsilon_{_{B}}\right)^{2}+\Gamma{}^{2}/4}+\frac{1}{\left(\epsilon^{\prime}+\epsilon_{_{B}}\right)^{2}}\right].\label{eq:cascade.sigma_gont} \end{equation} The common practice to calculate a resonant cross section in an ultrastrong magnetic fields is to use the Dirac delta function as follows (e.g. \begin{equation} \sigma_{{\rm res}}^{\prime}\simeq2\pi^{2}\frac{e^{2}\hbar}{mc}\delta\left(\epsilon{}_{s}^{\prime}-\epsilon_{_{B}}\right)\label{eq:cascade.res_cross_a} \end{equation} This simplified approach, however, does not include scatterings of photons whose energy in a particle rest frame is not equal but very close to the resonance frequency. The relativistic quantum effects of strong magnetic fields that are included in the approximate solution increase the cross section, and thus the efficiency of the ICS process in previous estimates could be underestimated. According to 124 in ultrastrong magnetic fields the ICS polarisation fraction is about $50\%$ (approximately $50\%$ of the photons are slightly above resonance and $50\%$ are slightly below). Therefore, the polarisation of ICS photons is randomly assigned in the ratio of one $\perp$ (perpendicular to the field) to every $\parallel$ photon. §.§ Particle mean free path For the ICS process the calculation of the particle mean free path $l_{{\rm ICS}}$ is not as simple as that of the CR process. Although we can define $l_{{\rm ICS}}$ in the same way as we defined $l_{{\rm CR}}$, it is difficult to estimate a characteristic frequency of emitted photons. We have to take into account photons of various frequencies with various incident angles. An estimation of the mean free path of a positron (or electron) to produce a photon is [184] \begin{equation} l_{{\rm ICS}}\approx\left[\int_{\mu_{0}}^{\mu_{1}}\int_{0}^{\infty}\left(1-\beta\mu\right)\sigma^{\prime}\left(\epsilon,\mu\right)n_{{\rm ph}}\left(\epsilon\right){\rm d}\epsilon{\rm d}\mu\right]^{-1}, \end{equation} where (as before) $\beta=v/c$ is the velocity in terms of speed of light, $n_{{\rm ph}}$ represents the photon number density distribution of semi-isotropic blackbody radiation (see Equation <ref>). Here $\sigma^{\prime}$ is the average cross section of scattering in the particle rest frame (see Equation <ref>). We should expect two modes of the ICS process, i.e. Resonant ICS and Thermal-peak ICS. §.§.§ Resonant ICS The RICS takes place if the photon frequency in the particle rest frame is equal to the cyclotron electron frequency. Using Equation <ref> we can write that the incident photon energy is $\epsilon=\epsilon_{_{B}}/\left[\gamma\left(1-\beta\mu\right)\right]$. For altitudes of the same order as the polar cap size we use $\mu_{0}=1$, $\mu_{1}=0$ as incident angle limits for outflowing particles, and $\mu_{0}=0$, $\mu_{1}=-1$ as incident angle limits for backflowing particles. Thus, for outflowing particles the electron/positron mean free path above a polar cap for the RICS process is \begin{equation} l_{{\rm RICS}}\approx\left[\int_{0}^{1}\int_{\epsilon_{{\rm _{res}}}^{^{{\rm min}}}}^{\epsilon_{{\rm _{res}}}^{{\rm ^{max}}}}\left(1-\beta\mu\right)\sigma^{\prime}\left(\epsilon,\mu\right)n_{{\rm ph}}\left(\epsilon\right){\rm d}\epsilon{\rm d}\mu\right]^{-1},\label{eq:cascade.ics_free_path} \end{equation} where limits of integration, $\epsilon_{{\rm _{res}}}^{^{{\rm min}}}$ and $\epsilon_{_{{\rm res}}}^{{\rm ^{max}}}$, are chosen to cover the resonance. In our simulation we use such limits to include the region where the integrated function decreases up to about two orders of magnitude from its maximum: \begin{equation} \epsilon_{_{{\rm res}}}^{^{{\rm min/max}}}=\frac{\epsilon_{_{B}}\pm\frac{3}{2}\sqrt{11}\Gamma}{\gamma\left(1-\beta\mu\right)}. \end{equation} Here $\Gamma$ is the finite width introduced in Section <ref> to describe the decay of an excited intermediate particle state. Figure <ref> presents the dependence of the integrand from Equation <ref> on the incident photon energy for a given incident angle. The maximum of the integrand shows a significant decline for stronger magnetic fields. This is due to both the drop of the cross section at all energies with an increasing magnetic field (see Section <ref>) and due to the fact that for this specific incident angle resonance is in a different range of photon energy. In stronger magnetic fields resonance occurs not only for higher energetic photons but also the width of the resonance is wider (see the right panel of Figure <ref>). [Dependence of the integrand from Equation <ref> on the energy of the incident photon]Dependence of the integrand from Equation <ref> on the energy of the incident photon. Both panels were calculated for surface temperature $T=3\times10^{6}\,{\rm K}$, cosine of the incident angle $\mu=0.1$ and Lorentz factor of particle $\gamma=10^{3}$. The left panel corresponds to resonance in magnetic field $B=10^{14}\,{\rm G}$, while the right panel was obtained using $B=3\times10^{14}\,{\rm G}$. Note that both plots do not include the dependence of the photon density on distance from the stellar surface. Depending on whether the radiation originates from the whole stellar surface or from the polar cap only, the dependence of the photon number density on the height above the surface can differ significantly (see Section <ref>). §.§.§ Thermal-peak ICS TICS includes all scattering processes of photons with frequencies around the maximum of the thermal spectrum. In our simulation we adopt $\epsilon_{{\rm _{th}}}^{{\rm ^{min}}}\approx0.05\epsilon_{{\rm _{th}}}$, and $\epsilon_{{\rm _{th}}}^{^{{\rm max}}}\approx2\epsilon_{{\rm _{th}}}$ where $\epsilon_{{\rm _{th}}}=2.82kT/\left(mc^{2}\right)$ is the energy, in units of $mc^{2}$, at which blackbody radiation with temperature $T$ has the largest photon number density. The electron/positron mean free path for the TICS process can be calculated as \begin{equation} l_{{\rm TICS}}\approx\left[\int_{\mu_{0}}^{\mu_{1}}\int_{\epsilon_{_{{\rm th}}}^{{\rm ^{min}}}}^{\epsilon_{{\rm _{th}}}^{{\rm ^{max}}}}\left(1-\beta\mu\right)\sigma^{\prime}\left(\epsilon,\mu\right)n_{{\rm ph}}\left(\epsilon\right){\rm d}\epsilon{\rm d}\mu\right]^{-1}.\label{eq:cascade.t_ics} \end{equation} Figure <ref> presents the dependence of the integrand from Equation <ref> on photon energy for two different incident angles of background photons. As the number density depends exponentially on the photon energy, TICS is important only for small incident angles ($\mu\approx1$). Note that for some specific combination of magnetic field strength, the Lorentz factor of the primary particle and the incident angle of background photons the resonance is in region of thermal peak. In such a case the resonant component is dominating (a much higher cross section) and the particle mean free path should be calculated using the approach described in the previous section. [The integrand from Equation <ref> vs. photon number density]Comparison of the integrand from Equation <ref> with photon number density. The bottom panels present the dependence of the photon number density on photon energy in OF. The red dashed lines correspond to limits used to calculate the particle mean free path for TICS. The top panels present the dependence of the integrand on photon energy in PRF. Both panels were obtained using surface temperature $T=3\times10^{6}\,{\rm K}$, Lorentz factor of the particle $\gamma=10^{2}$ and magnetic field strength $B=10^{12}\,{\rm G}$. The cosine of the incident angle, $\mu=0.975$ and $\mu=0.96$, was used for the left and right panel, respectively. §.§.§ Calculation results For ultrastrong magnetic fields quite a wide range of the particle Lorentz factor falls into the peak of background photons (see Figure <ref>). In such a case RICS is enhanced by the fact that it involves photons with very high density. Furthermore, the RICS process for such particles is indistinguishable from the TICS (see Figure <ref>). For particles with Lorentz Factor $\gamma\gtrsim10^{5}$, the dominant process of radiation is CR. The exact value of this limit depends on conditions such as: density of background photons, incident angles between particles and photons, and curvature of magnetic field lines ($1/\Re$). (show_le_gamma - Graphs, $B_{14}=2.$) [Dependence of a particle mean free path on its Lorentz factor]Dependence of a particle mean free path on its Lorentz factor for three different processes: CR, RICS and TICS. The calculations were performed for magnetic field strength $B_{14}=2$, radius of curvature of magnetic field lines $\Re_{6}=1$ (for the CR process) and hot spot temperature $T_{6}=3$ (for RICS and TICS). Both RICS and TICS were calculated for a full range of incident angles ($\mu_{0}=0$, $\mu_{1}=1$). Note that for a Lorentz factor in the range of $\gamma\approx2\times10^{3}-10^{5}$ the particle mean free paths of RICS and TICS are equal as the resonance falls into the peak of the background photons. Figure <ref> presents the dependence of a particle mean free path on the magnetic field strength and the particle Lorentz factor for RICS. The minimum of the mean free path for relatively weak magnetic fields ($B_{14}=0.5$) is for particles with Lorentz factor $\gamma\approx2\times10^{3}$, while for relatively stronger magnetic fields ($B_{14}=3.5$) the RICS is most efficient for particles with energy an order of magnitude larger ($\gamma\approx2\times10^{4}$). This is a natural consequence of the fact that resonance takes place when the photon energy in PRF is equal to the electron cyclotron energy, which in stronger fields is higher. As can be seen from the Figure, the particle mean free paths for RICS in stronger magnetic fields increase. This is due to the decreasing resonant cross section with increasing magnetic field strength (see Figure <ref>). Note, however, that this behaviour does not include the fact that photon density in regions with weaker magnetic fields is considerably smaller. In fact, the results of the cascade simulation presented in Chapter <ref> show that RICS is efficient only in the immediate vicinity of a neutron star since photon density at higher altitudes drops rapidly. (show_le3d_gonthier, $T_{6}=2$) [Dependence of a particle mean free path on magnetic field strength and the Lorentz factor of a particle [RICS] ]Dependence of a particle mean free path on magnetic field strength ($B_{14}$) and the Lorentz factor of a particle ($\gamma$) for the RICS process. The particle mean free path was calculated for semi-isotropic blackbody radiation ($\mu_{0}=0$, $\mu_{1}=1$) with temperature §.§ Background photons §.§.§ Photon density One of the main parameters affecting ICS above the stellar surface is photon density. The initial photon density (at altitude $z=0$) highly depends on the temperature of the radiating surface. As shown in Chapter <ref> (e.g. see Table <ref>), the entire surface has the lowest temperature ($T_{6}\lesssim0.8$), thus the initial photon density is up to about two orders of magnitude lower than warm spot radiation ($T_{6}\lesssim3$) and up to about three orders magnitude lower than hot spot radiation ($T_{6}\lesssim5$). However, the density of the photons strongly depends on the distance from the source of radiation (especially for the hot spot). Therefore, we used the simplified method presented in Figure <ref> to calculate photon density at a given point $L=\left(r,\,\theta,\,\phi\right)$. Then the relative density of photons originating from the entire surface can be calculated as \begin{equation} \frac{n_{{\rm st}}\left(\epsilon,\, T_{{\rm st}},\, L\right)}{n_{0}\left(\epsilon,\, T_{{\rm st}}\right)}=\sin^{2}\left(\frac{\Delta\theta_{{\rm st}}}{2}\right)=\left(\frac{R}{r}\right)^{2},\label{eq:cascade.n_ph_dist} \end{equation} where $n_{{\rm st},0}\left(\epsilon,\, T_{{\rm st}}\right)$ is the density of photons with energy $\epsilon$ at the stellar surface with temperature $T_{{\rm st}}$, and $\Delta\theta_{{\rm st}}$ is the angular diameter of the star at a distance from the star centre Likewise, we can write a formula for the relative density of photons originating from a spot (warm or hot) as \begin{equation} \frac{n_{{\rm sp}}\left(\epsilon,\, T_{{\rm sp}},\, L\right)}{n_{{\rm sp},0}\left(\epsilon,\, T_{{\rm sp}}\right)}=\sin^{2}\left(\frac{\Delta\theta}{2}\right), \end{equation} where $n_{{\rm sp},0}\left(\epsilon,\, T_{{\rm sp}}\right)$ is the density of photons with energy $\epsilon$ at the spot surface (either hot or warm) with temperature $T_{{\rm sp}}$. The angular diameter of the spot can be calculated as \begin{equation} \Delta\theta=\arccos\left(\frac{r_{1}^{2}+r_{2}^{2}-4R_{{\rm sp}}}{2r_{1}r_{2}}\right), \end{equation} here $R_{{\rm sp}}$ is the spot radius and $r_{1}$, $r_{2}$ are the distances to the outer edges of the spot (see Figure <ref>). [Simplified method used for calculating the background photon density]Simplified method used for calculation of a photon density originating from an entire stellar surface (blue lines) and from a hot/warm spot (red lines). Here $R_{{\rm sp}}$ is a spot radius (either hot or warm). Let us note that the simplified method is valid for the entire surface component regardless of the $\phi$ component of location $L$, while for the spot component it can be used only for small values of $\phi$. In a more general case the spot should be projected on the surface perpendicular to the radius vector ${\bf r}$ and passing through point $L$. Figure <ref> presents the dependence of the relative photon density ($n\left(z\right)/n_{0}$) on the distance from the stellar surface. Due to the small size of a polar cap (hot $R_{{\rm hs}}=50\,{\rm m}$) the density of the photons drops rapidly and already at a distance of about $z=150\,{\rm m}$ it is one order of magnitude lower than at the polar cap surface. On the other hand, for a larger size of the warm spot ($R_{{\rm hs}}=1\,{\rm km}$) the photon density is reduced by an order of magnitude at a distance of about $z=3\,{\rm {\rm km}}$. From Equation <ref> it can easily be seen that the photon density of radiation from the entire stellar surface decreases by an order of magnitude at a distance of about $z\approx3R\approx30\,{\rm km}$. [Dependence of the relative photon density on the distance from the stellar surface]Dependence of the relative photon density on the distance from the stellar surface for three different thermal components (the entire stellar surface, the warm spot and the hot spot). The following parameters were used for the calculations: star radius $R=10\,{\rm km}$, warm spot radius $R_{{\rm ws}}=1\,{\rm km}$ and hot spot radius $R_{{\rm hs}}=50\,{\rm m}$. The very small size of the polar cap also has an additional implication to the background photons' density. Namely, the density of the background photons just above the polar cap highly depends not only on the distance from the surface, but also on the position relative to the cap centre. Figure <ref> presents the dependence of the relative photon density originating from a polar cap (the hot spot) on the distance from the stellar surface for three different starting points on the polar cap. The distance was calculated for points which follow the magnetic field structure of PSR B0656+14. Note that for the extreme magnetic line (which starts at the cap edge) already at a distance of about $z_{2}\approx5\,{\rm m}$ the photon density decreases twice, while for the central ($\theta_{0}$) and middle line ($\theta_{1}$) the distances are respectively $z_{0}\approx45\,{\rm m}$ and $z_{1}\approx30\,{\rm m}$. This result is important as the background photon density directly translates to the particle mean free path in ICS (see Section <ref>). This means that for ICS-dominated gaps the sparks' height will vary depending on their location. The breakdown of the gap (spark) in the central region of a polar cap is easier to develop as the particle mean free path is lower, and eventually it will result in lower heights of the central sparks. This will influence the properties of plasma produced in the central region of open magnetic field lines, and depending on the conditions may result in the formation of plasma either suitable to produce radio emission (core emission) or unsuitable to produce radio emission (conal emission but with the line of sight crossing the centre of the beam). To find the dominant component of thermal radiation at a given altitude we need to take into account the initial flux of radiation and how it changes with the distance. Below we present the calculations of a radiation flux (Figure <ref>) for PSR B0656+14. The parameters of an entire surface and warm spot components are in agreement with the observations (see Table <ref>), while the hot spot component was calculated using parameters derived from the modelling of a non-dipolar structure of the magnetic field (see Chapter <ref>). (show_hotspot, 430) [Dependence of the relative photon density on the distance from the stellar surface for a hot spot component [PSR B0656+14]]Dependence of the relative photon density on the distance from the stellar surface for a hot spot component of PSR B0656+14. The relative photon density was calculated for three different starting positions: $\theta_{0}$ (central), $\theta_{1}$ (at the half distance to the edge), and $\theta_{2}$ (the cap edge). The altitude ($z$) was calculated for points which follow the magnetic field structure of PSR B0656+14. show(430 r_surf=2e6, r_ws=1.8e5, r_hs=5e3, t_surf=0.7e6,t_ws=1.2e6, t_hs=2.9e6), plot_b0656 [Dependence of the radiation flux on the distance from the stellar surface [PSR B0656+14]]Dependence of the radiation flux for three different components (the entire stellar surface, the warm spot and the hot spot) on the distance from the stellar surface for PSR B0656+14. The following parameters were used for the calculations: entire stellar surface radiation, $T_{{\rm st}}=0.7\,{\rm MK}$, $R_{{\rm st}}=20\,{\rm km}$; warm spot, $T_{{\rm ws}}=1.2\,{\rm MK}$, $R_{{\rm ws}}=1.8\,{\rm km}$; and hot spot, $T_{{\rm hs}}=2.9\,{\rm MK}$, $R_{{\rm hs}}=50\,{\rm m}$. Already at a distance of $240\,{\rm m}$ the flux of the warm spot radiation becomes higher than the flux of the hot spot radiation. Furthermore, already at a height of $750\,{\rm m}$ flux the radiation originating from the polar cap (hot spot) becomes lower than the flux of radiation from the entire stellar surface. With an increasing distance the flux of the warm spot decreases faster than the flux of the entire surface radiation and at a distance of $6.3\,{\rm km}$ the thermal radiation from the entire stellar surface becomes the dominant component of the background photons. The results may suggest that up to a height of about $240\,{\rm m}$ (for PSR B0656+14) the hot spot radiation should be the main source of the background photons involved in ICS. However, the actual height is smaller as the results do not include the efficiency of ICS, which also depends on the incident angle between the photons and the particles (see the next Section). §.§.§ Photon incident angles Another parameter that significantly affects the ICS is the incident angle between the background photons and the relativistic particles. Especially for Resonant Inverse Compton Scattering is the incident angle of great importance. Figure <ref> presents the dependence of a particle mean free path for ICS on a maximum value of the incident angle $\psi_{{\rm crit}}$. If incident angles are low, the resonance is outside of the photon spectrum and results in very high values of particle mean free paths. The lower the energy of the particle (lower Lorentz factor), the incident angles should be larger to ensure that the resonance falls into an energy range with high photon density. [Dependence of the particle mean free path on the maximum value of the incident angle] Dependence of the particle mean free path on the maximum value of the incident angle $\psi_{{\rm crit}}$. The particle mean free path $l_{{\rm p}}$ was calculated for magnetic field strength $B=10^{14}\,{\rm G}$ assuming background blackbody radiation with a temperature $T=3\,{\rm MK}$. Two different particle Lorentz factors were used for the calculations: $\gamma=10^{3}$ (dashed lines) and $\gamma=10^{4}$ (solid lines). The red lines correspond to Resonant Inverse Compton Scattering, while the blue lines correspond to Thermal-peak Inverse Compton Scattering. TICS for a given magnetic field strength and the Lorentz factor of particles is not significant (high particle mean free paths) unless the angles of the incident photons are high enough. Note the characteristic drop of the particle mean free path for TICS at $\psi_{{\rm crit}}\approx20^{\circ}$ (for $\gamma=10^{4}$) and $\psi_{{\rm crit}}\approx75^{\circ}$ (for $\gamma=10^{3}$). For such high incident angles the resonance takes place at the thermal peak of the background photons. Therefore, TICS and RICS are indistinguishable, which results in an almost equal particle mean free path (see the text above Figure <ref> for more details). Due to the very small size of the polar cap the influence of the hot spot component will by lower not only because of the change of photon density, but also because of the rapid change of the incident angle between the photons and particles. Figure <ref> presents the dependence of the maximum incident angle on the altitude above the stellar surface for three thermal components (the entire surface, the warm spot and the hot spot). As follows from the Figure, already at an altitude of $z\approx90\,{\rm m}$ does the maximum value of the incident angle between the photons from the hot spot and the particles drop to $\psi_{{\rm crit}}=30^{\circ}$, which significantly lowers the efficiency of ICS for this source of background photons (see Figure <ref>). Since the size of the warm spot component is larger, the warm spot radiation will be significant for up to higher altitudes, but already at a distance of $z\approx1.5\,{\rm {\rm km}}$ the maximum value of the incident angle also drops to $\psi_{{\rm crit}}=30^{\circ}$. show_three, plot_three_psi [Dependence of the maximum incident angle on the distance from the stellar surface] Dependence of the maximum incident angle on the altitude above the stellar surface for three thermal components (the entire surface, the warm spot and the hot spot radiation). Note that in the Figure we have calculated the maximum value of the intersection angle at altitudes which correspond to radial progression from the stellar surface. In fact, the actual maximum value of the incident angle also depends on the structure of the magnetic field. Figure <ref> presents the actual maximum value of the incident angle of photons originating from the hot spot for three different magnetic field lines calculated for PSR B0656+14. The actual values of the maximum incident angle just above the surface exceed $90^{\circ}$, but its rapid decline (especially for extreme lines) causes the radiation of the hot spot component to become insignificant for ICS at relatively low altitudes $z\approx20\,{\rm m}$. show_hotspot, plot_hotspot_psi [Dependence of the maximum incident angle on the distance from the stellar surface [PSR B0656+14]]Dependence of the maximum incident angle on the altitude above the stellar surface for the hot spot component of PSR B0656+14. The maximum incident angle was calculated for three different starting positions: $\theta_{0}$ (central), $\theta_{1}$ (at the half distance to the edge), and $\theta_{2}$ (the cap edge). Both the decrease of photon density and the decrease of the maximum inclination angle cause the parameters of plasma produced by RICS to highly depend on the properties (size and temperature) of the background photons source. The hot spot component will be the dominant source of background photons for ICS in the gap region ($z\lesssim20\,{\rm m}$), while the radiation of the warm spot and the entire surface will be the main source of the background photons for ICS at higher altitudes. CHAPTER: PHYSICS OF PULSAR RADIATION § INNER ACCELERATION REGION §.§ Gamma-ray emission In our model most of the $\gamma$-photons are produced in the Inner Acceleration Region or in close vicinity of a neutron star. Due to an ultrastrong surface magnetic field, the most energetic $\gamma$-photons are produced by Inverse Compton Scattering in the PSG-on mode. If a pulsar is in the PSG-off mode, Curvature Radiation produces fewer energetic photons than ICS in the PSG-on mode. Photons produced in IAR (both the ICS and CR) are absorbed by strong magnetic fields creating positron-electron plasma in the gap region, thereby enhancing a cascade, or just above the gap enhancing a secondary plasma population. The absorption of $\gamma$-photons in close vicinity of NS makes it impossible to directly observe the radiation produced in IAR. However, a characteristic of this emission defines the parameters of the gap (e.g. multiplicity in the gap region, gap height, etc.), and thus the parameters of secondary §.§.§ PSG-off mode In general, the existence of high potential in IAR (e.g. wide sparks or $\eta\approx1$) results in solutions for which CR is responsible for the emission of $\gamma$-photons. The energy of such radiation depends on the Lorentz factor of primary particles and curvature of the magnetic field lines. Figures <ref> and <ref> present the histogram of photons produced in IAR by CR for PSR B0628-28 and Geminga, respectively. The curvature in IAR of Geminga is lower ($\Re_{6}\approx2.1$, see Section <ref>), thus the primary particle should be accelerated to higher energies in order to produce the required number of photons in the gap region. Eventually the higher Lorentz factor of primary particles will result in the emission of $\gamma$-photons with energy up to $10\,{\rm GeV}$ for Geminga. On the other hand, the curvature magnetic lines for PSR B0628-28 ($\Re_{6}=0.6$, see Section <ref>) is higher, which reduces the photon mean free path and it is possible to produce the required number of photons in the gap region $N_{{\rm ph}}^{{\rm CR}}$ for lower the Lorentz factor of primary particles. In CR-dominated gaps we can distinguish three types of photons: (I) radiation with energy below $1\,{\rm MeV}$ which is unaffected by the magnetic field (except the splitting) and can be detected by a distant observer, (II) soft $\gamma$-ray photons which create pairs above ZPF, (III) and high energetic $\gamma$-photons responsible for pair production below ZPF. In an ultrastrong magnetic field the photons from the third group will produce particles just after reaching the first threshold. Due to the fact that most CR photons are $\parallel$-polarised, photon splitting is insignificant in cascade pair production in the PSG-off mode. t3 for 404 and 373 [Distribution of photons produced in IAR in the PSG-off mode [PSR B0628-28]]Distribution of photons produced in IAR by a single particle for PSR B0628-28. In the calculations we used parameters of the gap in the PSG-off mode as presented in Table <ref>. We also assumed a linear change in the acceleration electric field (see Equation <ref>). [Distribution of photons produced in IAR in the PSG-off mode [PSR J0633-1746]]Distribution of photons produced in IAR by a single particle for PSR J0633-1746. In the calculations we used parameters of the gap in the PSG-off mode as presented in Table <ref>. §.§.§ PSG-on mode When the acceleration potential is low enough (narrow sparks with $\eta<1$) to satisfy the condition for effective ICS ($l_{{\rm ICS}}\lesssim l_{{\rm acc}}$), the gap will operate in the PSG-on mode. The energy of ICS radiation in the gap region (RICS) depends on the Lorentz factor of primary particles and the strength of magnetic field. In an ultrastrong magnetic field of IAR implied by the PSG model, the primary particle loses most of its energy during the scattering of background photons. Such extremely energetic photons produce pairs on the zero-th Landau level ($\parallel$-polarised photons) or split to less energetic photons before reaching the first threshold (see Section <ref>). After the photons split the resulting photons are still very energetic and create an electron-positron pair enhancing the avalanche production of particles. In contrast to the PSG-off, most of the electron-positron pairs in the PSG-on mode are created well below ZPF. Furthermore, there is no additional radiation at lower energies ($\epsilon<1\,{\rm MeV}$) which could be detected by a distant observer. Figures <ref> and <ref> present the distribution of photons produced by the first population of newly created particles for PSR B0950+08 and PSR B1929+10, respectively. In both cases the energy of the $\gamma$-photons ranges from $1\,{\rm GeV}$ to $\approx20\,{\rm GeV}$. The narrow predicted spark half-width of PSR B0950+08 results in a lower potential in IAR, thus increasing the efficiency of ICS (more photons produced by the first population of particles). The particle mean free path for ICS is smaller for backstreaming particles (see Section <ref> for more details), thus most photons in the PSG-on mode are produced in the direction towards the stellar surface. Note that not all photons will produce electron-positron pairs since some $\gamma$-photons are produced so close to the stellar surface that they reach its surface before they manage to reach the first threshold for pair production. t + plot_ics for 322 and 355 [Distribution of photons produced in IAR in the PSG-on mode [PSR B0950+08]]Distribution of photons produced in IAR by the first population of newly created particles for PSR B0950+08. In the calculations we used the parameters of the gap in the PSG-on mode as presented in Table [Distribution of photons produced in IAR in the PSG-on mode [PSR B1929+10]]Distribution of photons produced in IAR by the first population of newly created particles for PSR B1929+10. In the calculations we used the parameters of the gap in the PSG-on mode as presented in Table §.§ X-ray and less energetic emission An negligible fraction of energy radiated by a primary particle in the PSG-off mode falls in the X-ray band. What is more, in the PSG-on mode all photons produced by ICS have energy which exceeds an electron's rest energy by many orders of magnitude. Thus, IAR may be responsible only for generating the thermal component of the X-ray spectrum in the process of heating the stellar surface. §.§.§ Thermal emission As shown in Section <ref>, thermal emission is a common feature of neutron stars. Due to the large uncertainties in X-ray observations, it is not possible to distinguish all three thermal components (entire surface radiation, warm spot component and hot spot radiation) for one specific pulsar. Furthermore, only for a few pulsars (e.g. Geminga, PSR B0656+14) was it possible to distinguish two thermal components alongside the nonthermal one. In this thesis we focus on an analysis of pulsars with a visible hot spot component ($b>1$), since only for these pulsars is it possible to estimate the size of the actual polar cap. Most of these pulsars are old neutron stars and only for one of them (Geminga) was the whole surface radiation found in the X-ray spectrum. Figure <ref> presents the observed X-ray components of the Geminga pulsar: the whole surface radiation, the polar cap (hot spot) and the nonthermal component. The maximum of energy for the whole surface radiation is in extreme ultraviolet and in soft X-rays for the hot spot component. Taking into account the very small area of the polar cap, radiation from the hot spot is unlikely to be observed in wavelengths off the ~/Programs/studies/phd/spectrum/spectrum.py (uncomment [Observed flux of radiation [PSR J0633+1746]]Observed flux of radiation for PSR J0633+1746. In the figure we present three components of radiation: the nonthermal one (green line), the entire surface radiation (blue line), and the hot spot component (red line). The dashed lines correspond to uncertainties in observations (see Table <ref>). Figure <ref> presents the X-ray spectrum of PSR B1133+16. The small number of counts detected resulted in the fact that only separate fits for the BB and PL components were performed. Both the BB and PL fits describe the observed spectrum with similar accuracy. In the Figure we present additional thermal components (the entire surface radiation and the warm spot) which have not been determined by the observations. The Figure shows that the overlapping thermal components can mimic the power-law dependence of the spectrum at frequencies below $2\,{\rm keV}$. ~/Programs/studies/phd/spectrum/spectrum.py (uncomment [X-ray spectrum [PSR B1133+16]]X-ray spectrum of PSR B1133+16. In addition to the observed thermal radiation (red solid line), two other thermal components are presented: the warm spot radiation (green dashed line) and the entire surface radiation (blue dotted line). Although this specific combination of thermal components for PSR B1133+16 would result in a photon index greater than the observed one $\Gamma=2.51$, the spectral fits for all pulsars should be extended to include more BB components in order to examine the effect of thermal components overlapping at lower frequencies. The results of our calculations suggest that the nonthermal X-ray radiation should dominate the spectrum at higher frequencies $\approx3-10\,{\rm keV}$, but the power-law-like behaviour at lower frequencies could be the result of the overlapping of thermal components anticipated in the PSG scenario (see Section §.§.§ Nonthermal emission The polarisation of ICS radiation in an ultrastrong magnetic field is $50\%$ (one $\parallel$ to every $\perp$-polarised photon). Synchrotron Radiation of secondary particles created by $\perp$-polarised photons would generate hard X-ray photons, however, as was mentioned in Section <ref>, these photons will split before they reach the first threshold to produce pairs. Therefore, regardless of whether the gap is dominated by CR or by ICS, Synchrotron Radiation in IAR is not significant. §.§.§ Warm spot component Apart from the obvious X-ray component corresponding to the whole surface radiation, the PSG model can explain both the hot and warm spot radiation. The hot spot radiation is a natural consequence of heating the actual polar cap region by the backstreaming particles (see Section <ref>). As was mentioned in Section <ref>, the warm spot component can have two different sources: (I) the drastic difference of the crustal transport process due to the non-dipolar structure of the surface magnetic field (for young and middle-aged pulsars), (II) and a mechanism of heating the surface adjacent to the polar cap. In this section we present the second mechanism, i.e. heating of the surface adjacent to the polar cap, which can be applied to both young and old pulsars. Figure <ref> presents the mechanism of heating the area adjacent to the polar cap for PSR B0950+08. When the gap operates in the PSG-off mode the primary plasma (see Section <ref>) will lose a significant part of its energy via CR as the particles propagate through the region of high curvature. For this particular magnetic line's configuration the region of high CR extends up to an altitude about $4\,{\rm km}$ above the stellar surface. The most energetic CR photons emitted in this region have a relatively short mean free path and they produce electron-positron pairs in the region of open magnetic field lines. However, both the less energetic CR photons and $\gamma$-photons produced by SR have a large enough photon mean free path to produce pairs in the region of the closed magnetic field lines. All newly created pairs move along the closed magnetic field lines and heat the surface beyond the polar cap on the opposite side of the star. [The warm spot component [PSR B0950+08]]Global structure of magnetic field lines for PSR B0950+08. The structure was obtained using two crust-anchored anomalies (see Section <ref>). Green lines correspond to the outer open magnetic field lines, while the red lines correspond to the closed magnetic field lines at which secondary pairs are produced. Blue, yellow and red dots represent the locations of secondary pair production for the outer left, the middle and the outer right open field lines, respectively. The fraction of energy transferred to the region of the closed field lines highly depends on the region of open magnetic field lines considered in CR/SR emission. In the Figure we use three different colours (blue, yellow and red) to show the positions of pair creation for three characteristic open magnetic field lines (the outer left, the middle and the outer right). The simulation results in the following fractions of energy transferred to the region of the closed field lines are: $0.02\%$, $0.1\%$, $6\%$ for all three lines, respectively. For this specific magnetic field configuration the transferred energy fraction increases as we move towards the region with the highest curvature. We can roughly estimate that for the proposed magnetic field configuration of PSR B0950+08, about $1\%$ of the outflowing energy is responsible for heating of the surface beyond the polar cap on the opposite side of the star. Note that due to strong anisotropy of the outflowing and backflowing stream of particles (see Section <ref>), this fraction could be enough to obtain the warm spot component with a luminosity equal or in some cases even higher than the luminosity of the hot spot component. [The warm spot component [PSR B0943+10]]Global structure of magnetic field lines for PSR B0943+10. The structure was obtained using two crust-anchored anomalies (see Section <ref>). Green lines correspond to the outer open magnetic field lines, while the red lines correspond to the closed magnetic field lines at which secondary pairs are produced. Blue, yellow and red dots represent the locations of secondary pair creation for the outer left, the middle and the outer right open field lines, respectively. The fraction of energy transferred to the region of closed field lines highly depends on the magnetic field configuration. A more complicated structure of the magnetic field lines proposed for PSR B0943+10 (see Figure <ref>) results in a much wider area of closed field lines at which pairs are created, and hence higher fractions of energy transferred to the region of closed field lines. For this specific structure of the magnetic field these fractions are: $7\%$, $1\%$, $2\%$ for three characteristic lines, respectively. We can roughly estimate that about $3-5\%$ of the outflowing energy is responsible for the heating. Note that the magnetic field structure of PSR B0950+08 results in the heating of only one side beyond the polar cap, while in the case of PSR B0943+10 the whole surface around the polar cap is heated. The actual size of the warm spot also depends on the magnetic field configuration in the heating zone, and can either be decreased or increased. §.§ Primary plasma As we mentioned in Section <ref>, PSG-off and PSG-on modes differ essentially by the Lorentz factor of primary particles produced in the gap region. Furthermore, different scenarios of the gap breakdown (due to surface overheating or due to production of dense enough plasma) cause the evolution of primary particles in the two modes to completely different. We assume that in the PSG-off mode the gap breakdown is due to surface overheating; hence the plasma cloud moving away from the stellar surface is a mixture of ions and electron-positron plasma. In this scenario the ions are the main source of charge density required to screen the gap (see Equation <ref>). As the plasma cloud moves away from the stellar surface both the spark height and the spark width increase, which results in an increase of the acceleration potential drop. When the particles gain the Lorentz factors $\gamma\gtrsim10^{5}$, CR begins to produce $\gamma$-photons. In the PSG-off mode most of the $\gamma$-photons are created near ZPF (see Figure <ref>). All particles created by $\gamma$-photons above the ZPF do not contribute to the heating of the surface. Furthermore, the acceleration in the upper parts of the gap is relatively weak, and electrons produced in this region will also escape from the gap, thus not contributing to the surface heating. Depending on the details of the cascade formation, the process described above may result in the creation of strong streaming anisotropies, where the flux of the backstreaming particles is considerably smaller than the flux of the outstreaming particles. Note that the density of the backstreaming particles required to overheat the surface is significantly lower than the co-rotational density $n_{{\rm CR}}\ll n_{{\rm GJ}}$ (see Table <ref>). In the PSG-on mode the quasi-equilibrium of the flux of backstreaming particles and the flux of the polar cap radiation can cause the gap to break only due to the production of dense enough plasma. Thus, the surplus of positrons is the main source of the charge in the plasma cloud moving away from the stellar surface. The ICS process responsible for the cascade production of particles is effective only in the bottom part of the gap. Hence, the backstreaming electrons will hit the surface with a Lorentz factor $\gamma_{{\rm c}}$ well below the $\gamma_{{\rm max}}$. As there is no strong pair production near (or above) ZPF, the backstreaming/outstreaming anisotropy arises only due to the difference of the Lorentz factor of electrons hitting the stellar surface and the Lorentz factor of positrons accelerated in the gap $\gamma_{{\rm max}}/\gamma_{{\rm c}}\approx10$. The actual density of newly created plasma to completely screen the gap can be calculated only in the full cascade simulation. However, as shown by 172, this density should significantly exceed the co-rotational Goldreich-Julian density $n_{{\rm ICS}}\gg n_{{\rm GJ}}$. We describe the difference between the co-rotational density and the actual density of primary plasma required to completely screen the ICS-dominated gap by factor $N_{{\rm ICS}}=n_{{\rm ICS}}/n_{{\rm GJ}}\gg1$. § INNER MAGNETOSPHERE OF A PULSAR §.§ Gamma-ray emission In general there are three processes which can produce $\gamma$-ray emission in the inner magnetosphere of a pulsar ($R_{{\rm pc}}\ll z\ll R_{{\rm LC}}$): CR, ICS and SR. Which of them produces the majority of $\gamma$-photons depends on the parameters of the primary particles, and thus mainly depends on the mode in which the gap operates. Additionally, the efficiency of the ICS process strongly depends on the source of the background §.§.§ Curvature Radiation of primary particles When the gap operates in the PSG-off mode, high-energetic particles are produced $\gamma_{{\rm c}}\gtrsim10^{6}$. As they pass the region with high curvature ($\Re_{6}\approx1$) they radiate a significant part of their energy through CR (see Section <ref>). Figure <ref> presents the distribution of CR photons produced by a single primary particle moving along the open magnetic field line of PSR B1133+16 (see Section <ref> for the details of the magnetic field configuration). The initial Lorentz factor of the particle $\gamma_{{\rm max}}=1.7\times10^{6}$ was set according to the value presented in Table <ref>. As the particle advanced through the region with high curvature, it lost about $46\%$ of its initial energy, which was mainly converted to high-energetic $\gamma$-photons with an energy up to about $2\,{\rm GeV}$. The $\gamma$-photons are produced in a region of a strong magnetic field, thus after passing a relatively short distance the most energetic photons are absorbed by the magnetic field and electron-positron pairs emerge. The red colour in the Figure corresponds to the final spectrum (after photon splitting, pair production and SR) produced by a single primary particle in the PSG-off mode. Most of the energy radiated by the primary particle was converted into the secondary plasma (see Section <ref>) and only about $5\%$ of the particle's initial energy ended in the form of radiation with a cut-off at about $30\,{\rm MeV}$. (read_data_final, plot_spectrum_final, 341_cr_1e04_10m_new) [Final photon distribution produced by a single primary particle [PSR B1133+16]]Final photon distribution produced by a single primary particle for PSR B1133+16. The blue line corresponds to the initial CR distribution, while the red line presents the final distribution with the inclusion of photon splitting, pair production and SR. To increase the amount of photons reaching the observer, the emission zone, i.e. the region with the highest curvature, should by located in the area with a weaker magnetic field. Such a configuration allows a photon to travel a longer distance before it is absorbed by the magnetic field. As a result the electron-positron pairs are created at higher Landau levels, which enhances SR. Figure <ref> presents the distribution of CR photons for PSR B0950+08. The calculations were performed for the initial Lorentz factor of the particle $\gamma_{{\rm max}}=2.0\times10^{6}$ (see Table <ref>). (read_data_final, plot_spectrum_final, 355_cr_1e04_10m_new) [Final photon distribution produced by a single primary particle [PSR B0950+08]]Final photon distribution produced by a single primary particle for PSR B0950+08. The blue line corresponds to the initial CR distribution, while the red line presents the final distribution with the inclusion of photon splitting, pair production and SR. Due to CR the primary particle lost about $40\%$ of its initial energy. In this case about a half of the energy radiated by the primary particle was converted into the secondary plasma and the same amount of energy (about $20\%$ of the particle's initial energy) ended in the form of radiation. For both PSR B1133+16 and PSR B0950+08, the maximum of the curvature is of the same order. However, the maximum of curvature PSR B1133+16 is located at an altitude of about $800\,{\rm m}$, while for PSR B0950+08 it is located at an altitude of about $1.75\,{\rm km}$ (compare Figures <ref> and <ref>). §.§.§ Inverse Compton Scattering of primary particles In the PSG-on mode the maximum Lorentz factor of primary particles is in the range of $10^{4}-10^{5}$ (see Table <ref>). As it follows from Figures <ref> and <ref>, the ICS process is most effective for particles with a Lorentz factor in the range of $10^{3}-10^{4}$. Particles with high energies ($\gamma\gtrsim10^{5}$) will upscatter thermal photons only just above the stellar surface, where the density of the background photons is very high (see Section <ref>). Thus, if there is no additional source of background photons, the most energetic particles ($\gamma\gtrsim10^{5}$) will escape from the inner magnetosphere without losing their energy by ICS. However, the plasma cloud produced by the ICS-dominated gap has a density exceeding the co-rotational Goldreich-Julian density even by a few orders of magnitude (see Section <ref>). Such a high charge density reduces the acceleration [172] and, consequently, the bulk of particles will escape from the IAR with lower Lorentz factors. It is not possible to estimate the actual Lorentz factor of particles in the plasma cloud at the moment of gap breakdown without performing a full cascade simulation. Thus, in this thesis we assume that at the moment of gap breakdown most of the particles will have an energy that is about the characteristic value at which the acceleration is stopped by ICS in the bottom parts of the IAR $\gamma_{{\rm c}}$. To increase readability for cascade simulations with very low surface temperature, in all the Figures of the ICS distribution we present $\gamma$-photons produced by $50$ primary particles with Lorentz factors in the range of $0.5\gamma_{{\rm c}}-2\gamma_{{\rm c}}$. In Figure <ref> we present the distribution of ICS photons produced by the upscattering of surface thermal radiation with temperature $T_{{\rm s}}=0.3\,{\rm MK}$ for PSR B0834+06. Even for such a low surface temperature the whole surface radiation is the dominant source of background photons for ICS up to altitudes of about one stellar radii. During the scattering the primary particles lose about $30\%$ of their initial energy while producing $\gamma$-photons with energy up to $1\,{\rm GeV}$. Since the $\gamma$-photons are very energetic and are produced in a region with a strong magnetic field, they will be absorbed by the magnetic field, thus giving rise to the secondary plasma population (see Section <ref>). All pairs in the inner magnetosphere of a pulsar are created in the nonzero Landau level, thus the pair production process is also accompanied by strong SR (see the next section). (read_data_ics, plot_hist_ics, 384_ics_1e03_10m_ics2_t03_fifty) [Distribution of ICS photons for PSR B0834+06 [$T_{{\rm s}}=0.3\,{\rm MK}$]]Distribution of ICS photons produced by an upscattering of surface ($T_{{\rm s}}=0.3\,{\rm MK}$) for PSR B0834+06. The plot includes all $\gamma$-photons upscatterd by $50$ primary particles with Lorentz factors in the range of $2.5\times10^{3}-10^{4}$. A natural way of increasing the number of $\gamma$-photons produced by ICS in the inner magnetosphere is to increase the number of background photons. Figure <ref> presents the distribution of ICS photons produced by an upscattering of the surface thermal radiation with temperature $T_{{\rm s}}=0.4\,{\rm MK}$ for PSR B0834+06. During the ICS process the primary particles lose about $65\%$ of their initial energy. For higher surface temperatures the ICS produces $\gamma$-photons up to higher altitudes (about two stellar radii), thus photons with lower energy emerge $\epsilon_{{\rm min}}\approx3\,{\rm MeV}$. These less energetic photons will reach the observer, but their total energy is significantly lower than the total energy of the secondary plasma created by more energetic $\gamma$-photons. (read_data_ics, plot_hist_ics, 384_ics_1e03_10m_ics2_t04_fifty) [Distribution of ICS photons for PSR B0834+06 [$T_{{\rm s}}=0.4\,{\rm MK}$]]Distribution of ICS photons produced by an upscattering of the surface radiation ($T_{{\rm s}}=0.4\,{\rm MK}$) for PSR B0834+06. The plot includes all $\gamma$-photons upscatterd by $50$ primary particles with Lorentz factors in the range of $2.5\times10^{3}-10^{4}$. Note that although for PSR B0834+06 the X-ray spectral fit was performed with only one BB component, the surface temperatures used in the calculations ($0.3\,{\rm MK}$ and $0.4\,{\rm MK}$) are in good agreement with the predicted surface temperature of an old neutron star. Another source of background photons which could be relevant for ICS in the inner magnetosphere is the warm spot component. As shown in Section <ref>, if the antipodal spot operates in the PSG-off mode and if the magnetic field structure is suitable then the warm spot is formed in the region adjacent to the polar cap. With a temperature lower than the hot spot but a much larger area, the warm spot is the main source of the background photons at altitudes up to about half a stellar radius. In Figure <ref> we present the distribution of ICS photons produced by an upscattering of warm spot radiation with temperature $T_{{\rm s}}=1.0\,{\rm MK}$ and radius $R_{{\rm ws}}=1\,{\rm km}$ for PSR B0834+06. When the warm spot is the main source of background photons, the ICS process starts at lower altitudes. As a consequence, the scattering produces photons with higher energy and the primary particles lose up to $90\%$ of their initial energy. All these high energetic $\gamma$-photons are absorbed by the magnetic field producing electron-positron pairs. Note that for this specific pulsar the existence of such a strong warm spot component is unlikely, but as mentioned in Section <ref> the X-ray spectral fits should be extended to include more thermal components to put better constraints on the X-ray emission of pulsars. (read_data_ics, plot_hist_ics, 384_ics_1e03_10m_ics1_t10_fifty_warm) [Distribution of ICS photons for PSR B0834+06 [$T_{{\rm s}}=1.0\,{\rm MK}$, $R_{{\rm ws}}=1\,{\rm km}$]]Distribution of ICS photons produced by an upscattering of warm spot radiation ($T_{{\rm s}}=1.0\,{\rm MK}$, $R_{{\rm ws}}=1\,{\rm km}$) for PSR B0834+06. The plot includes all $\gamma$-photons upscatterd by $50$ primary particles with Lorentz factors in the range of $2.5\times10^{3}-10^{4}$. §.§.§ Synchrotron Radiation In both PSG-off and PSG-on modes SR plays a significant role in the generation of soft $\gamma$-ray photons. Figure <ref> presents the places at which SR-photons are generated (left panel) and the SR spectrum (right panel) in the PSG-off mode for Geminga. The most energetic photons are generated close to the stellar surface ($z\approx500\,{\rm m}$), while the less energetic ones are produced at altitudes $z>2\,{\rm km}$, where the magnetic field is weaker. SR in the PSG-off mode produces photons with energy in the range of from $30\,{\rm keV}$ to $1\,{\rm GeV}$. Again, the high energetic $\gamma$-photons produce electron-positron pairs in a strong magnetic field, thus its observation is not possible. ~/Programs/studies/phd/lines/lines.py t0633_cr [Synchrotron Radiation in the PSG-off mode [PSR J0633+1746]]Synchrotron Radiation in the PSG-off mode for PSR J0633+1746. The left panel presents the places at which SR-photons are generated, while the right panel presents the SR-photons distribution. Plots were obtained in a cascade simulation calculated for a single primary particle moving along the extreme left open magnetic field line. In Figure <ref> we present the places of SR-photon generation (left panel) and the energy distribution of photons (right panel) in the PSG-on mode for Geminga. ~/Programs/studies/phd/lines/lines.py t0633_ics [Synchrotron Radiation in the PSG-on mode [PSR J0633+1746]]Synchrotron Radiation in the PSG-on mode for PSR J0633+1746. The left panel presents places at which SR-photons are generated, while the right panel presents the SR-photons distribution. Plots were obtained in a cascade simulation calculated for a single primary particle moving along the extreme left open magnetic field line. The ICS process was calculated using the whole surface radiation with temperature $T_{{\rm s}}=0.5\,{\rm MK}$ (see Table <ref>). The production of SR-photons in the PSG-off mode starts at altitudes about $z\approx1\,{\rm km}$ and ends at altitudes $z\approx4.5\,{\rm km}$. Thus, the energy range of SR-photons is narrower, with the minimum and maximum photon energy $\epsilon_{{\rm min}}\approx40\,{\rm keV}$ and $\epsilon_{{\rm max}}\approx50\,{\rm MeV}$, respectively. Note the significant difference in the number of photons produced by SR in the PSG-off and PSG-on modes. The difference is a direct consequence of low secondary plasma multiplicity in the PSG-on mode (see Section §.§ X-ray emission The main source of X-ray photons produced in the inner magnetosphere is SR. As mentioned in Section <ref>, to increase the amount of photons reaching the observer the emission zone should by located in the area with a weaker magnetic field. In this section we focus on the results of PSR B0943+10 and PSR 1929+10 for which the proposed configuration of a magnetic field satisfies this requirement (see Sections <ref> and <ref>). In the PSG-off mode most of the X-ray photons are produced by the SR of newly created electron-positron pairs. Figure <ref> presents the final photon distribution produced by a single primary particle of PSR B1929+10 in the PSG-off mode. For a single primary particle we can estimate that only about $0.7\%$ of the total photon energy is in the range of $1-10\,{\rm keV}$. The bulk of the energy is carried away by newly created particles ($73\%$) and high energetic photons ($27\%$). t1929_cr_photons (read_data_final, plot_spectrum_final, 322_cr_1e04_10m_new) [Final photon distribution produced by a single primary particle [PSR 1929+10]]Final photon distribution produced by a single primary particle for PSR 1929+10 in the PSG-off mode. The blue line corresponds to the initial CR photons distribution, while the red line presents the final distribution with the inclusion of photon splitting, pair production and SR. In Figure <ref> we present the locations and the photon distribution of SR for PSR 1929+10 in the PSG-off mode. All SR-photons produced closer to the stellar surface will contribute to $\gamma$-ray emission, while the SR-photons produced at higher altitudes will produce photons in the X-ray band. As it results from Figure <ref>, the curvature at an altitude of $z\approx3.5\,{\rm km}$ is only $50\%$ higher than at $z\approx2\,{\rm km}$. Furthermore, before the particle reaches the region with a relatively low magnetic field ($z\approx3.5\,{\rm km}$), it radiates a significant part of its energy at lower heights. ~/Programs/studies/phd/lines/lines.py t1929 [Synchrotron Radiation in the PSG-off mode [PSR B1929+10]]Synchrotron Radiation in the PSG-off mode for PSR B1929+10. The left panel presents the places at which SR-photons are generated, while the right panel presents the SR-photons distribution. Plots were obtained in a cascade simulation calculated for a single primary particle moving along the extreme left open magnetic field line. To increase radiation in the $1-10\,{\rm keV}$ energy band we should apply the magnetic field structure with considerably higher curvature at altitudes where X-ray photons are generated. Although the curvature will not directly affect the SR, it will enhance CR, and thus it will increase the number of pairs produced in the region of a relatively weak magnetic field. In Figure <ref> we present the final photon distribution produced by a single primary particle for PSR B0943+10 calculated using the magnetic field configuration as presented in Section <ref>. t0943_cr_photons (read_data_final, plot_spectrum_final, 911_cr_1e04_10m_leftline) [Final photon distribution produced by a single primary particle [PSR B0943+10]]Final photon distribution produced by a single primary particle for PSR B0943+10 in the PSG-off mode. The blue line corresponds to the initial CR photons distribution, while the red line presents the final distribution with the inclusion of photon splitting, pair production and SR. For this magnetic field structure about $3\%$ of the total photon energy is in the range of $1-10\,{\rm keV}$. The newly created particles carry away about $63\%$ of the energy radiated by the primary particle, while about $37\%$ of the energy remains in the form of photons. The structure of the magnetic field of PSR B0943+10 allows enhanced pair production in a region of a weaker magnetic field (see Figure <ref>). The SR that accompanies pair production at higher altitudes ($z>3\,{\rm km}$) essentially increases the amount of energy radiated in the $1-10\,{\rm keV}$ energy band. Note, however, that the fraction of energy radiated in this band is still relatively low ($3\%$), and in order to be a substantial part of the observed X-ray spectrum the strong anisotropy of backstreaming and outstreaming plasma is required (see Section <ref>). ~/Programs/studies/phd/lines/lines.py t0943_cr [Synchrotron Radiation in the PSG-off mode [PSR B0943+10]]Synchrotron Radiation in the PSG-off mode for PSR B0943+10. The left panel presents the places at which SR-photons are generated, while the right panel presents the SR-photons distribution. Plots were obtained in a cascade simulation calculated for a single primary particle moving along the extreme left open magnetic field line. In the PSG-on mode even for a complicated structure of the magnetic field most of the outflowing energy is converted to secondary plasma. Figure <ref> presents the ICS-photons distribution produced in the PSG-on mode for PSR B0628-28. The bulk of energy is radiated in the form of high energetic $\gamma$-photons which are responsible for pair production, and thus the formation of secondary plasma. Taking into account not so high backstreaming/outstreaming anisotropy in the PSG-on mode, the ICS process is not relevant for the production of X-ray photons. [Distribution of ICS photons for PSR B0628-28 [$T_{{\rm s}}=0.5\,{\rm MK}$]]Distribution of ICS photons produced by an upscattering of the whole surface radiation ($T_{{\rm s}}=0.5\,{\rm MK}$) for PSR B0628-28. The plot includes all photons upscatterd by $50$ primary particles with Lorentz factors in the range of $3\times10^{3}-1.2\times10^{4}$. The SR which accompanies the pair creation process in the PSG-on mode mostly produces soft $\gamma$-photons (see the right panel of Figure <ref>). Although the secondary pairs are produced at similar altitudes in both modes, (compare the left panels of Figures <ref> and <ref>), the higher Lorentz factor of secondary plasma produced in the PSG-on mode results in higher energy of the SR-photons. The results suggest that when the gap operates in the PSG-on mode we should expect lower efficiencies of nonthermal X-ray emission than in the PSG-off mode. Note, however, that the final efficiency of X-ray radiation in the PSG-off mode highly depends on the backstreaming/outstreaming anisotropy and the structure of magnetic field lines. ~/Programs/studies/phd/lines/lines.py t0628_ics_xrays [Synchrotron Radiation in the PSG-on mode [PSR B0628-28]]Synchrotron Radiation in the PSG-on mode for PSR B0628-28. The left panel presents places at which SR-photons are generated, while the right panel presents the SR-photons distribution. Plots were obtained in a cascade simulation calculated for $50$ primary particles with Lorentz factors in the range of $3\times10^{3}-1.2\times10^{4}$ moving along the extreme left open magnetic field line. §.§ Secondary plasma The multiplicity of secondary particles in the PSG-off mode is much higher than in the PSG-on mode. However, the primary plasma produced in the IAR of CR-dominated gaps has a density considerably lower than the Goldreich-Julian co-rotational density (see Equation <ref>). Figure <ref> presents the energy histogram of secondary plasma for Geminga (left panel) and PSR B1133+16 (right panel). Despite major differences in the magnetic field structure and conditions in the IAR for both pulsars, the secondary plasma distribution shows many similarities. The only significant difference is the maximum Lorentz factor of secondary plasma, which for Geminga is about $\gamma_{{\rm sec}}^{{\rm max}}\approx10^{4}$, while for PSR B1133+16 is is a few times smaller $\gamma_{{\rm sec}}^{{\rm max}}\approx3\times10^{3}$. By using the overheating parameters presented in Table <ref> we can roughly estimate that the final multiplicity of particles in the plasma cloud in the PSG-off mode ranges from $M=\kappa\cdot M_{{\rm sec}}\approx2$ (for Geminga) to $M=\kappa\cdot M_{{\rm sec}}\approx100$ (for PSR B1133+16). Note, however, that these values do not take into account the anticipated anisotropy of backstreaming and outstreaming particles. The existence of such an anisotropy could further increase the final multiplicity of particles in the plasma cloud leaving the inner magnetosphere. Despite the fact that without a full cascade simulation in the IAR we cannot unambiguously determine the final multiplicity in the plasma cloud, it can be clearly seen that depending on the details of the gap operating in the PSG-off mode, the produced plasma may be suitable (e.g. PSR B1133+16) or unsuitable (e.g. Geminga) to generate radio emission (see Section <ref>). The main factor determining the parameters of the CR-dominated gap, and thus determining whether it is possible to effectively produce radio emission, is the radius of curvature of the magnetic field lines (see Section t0633_cr_pairs, t1133_cr_pairs (change to right) [Secondary plasma in the PSG-off mode [PSR J0633+1746, PSR B1133+16]]Energy histogram of secondary plasma in the PSG-off mode. The left panel was obtained in a cascade simulation calculated for a single primary particle moving along the extreme left open magnetic field line of PSR J0633+1746, while the right panel corresponds to a cascade simulation for PSR B1133+16. In ICS-dominated gaps, on the other hand, the density of primary plasma produced in IAR exceeds the co-rotational density. Thus, the development of dense enough plasma for radio emission is much easier in the PSG-on mode. In Figure <ref> we present the locations of pair production and energy distribution of secondary plasma in the PSG-on mode for PSR B0628-28. The final multiplicity of particles in the plasma cloud in the PSG-on mode can be calculated as $M=N_{{\rm ICS}}\times M_{{\rm sec}}$. As mentioned in Section <ref>, the exact value of $N_{{\rm ICS}}$ can be found only by performing the full cascade simulation in IAR but, as shown by 172, we should expect a full screening of the acceleration region when $N_{{\rm ICS}}$ reaches a value as high as $20-100$. Thus we can roughly estimate that for the whole surface radiation with temperature $T_{{\rm s}}=0.3\,{\rm MK}$, the final multiplicity of secondary plasma in the PSG-on mode for PSR B0628-28 is of the order of $M\approx100$. ~/Programs/studies/phd/lines/lines.py t0628_ics_a50 [Secondary plasma in the PSG-on mode [PSR B0628-28, $T_{{\rm s}}=0.3\,{\rm MK}$]]Secondary plasma produced in the PSG-on mode for PSR B0628-28. The left panel presents places at which pairs are produced, while the right panel presents the histogram of particle energy. Plots were obtained in a cascade simulation calculated for $50$ primary particles with Lorentz factors in the range of $3\times10^{3}-1.2\times10^{4}$ moving along the extreme left open magnetic field line. The ICS process was calculated using the whole surface radiation with temperature $T_{{\rm s}}=0.3\,{\rm MK}$. In the PSG-on mode the main factor which determines the final multiplicity of secondary plasma is the source of the background photons. As shown in Section <ref>, the polar cap radiation (the hot spot component) has a negligible impact on the ICS process above the IAR. Figure <ref> presents the location of pair production and energy distribution of secondary plasma for PSR B0628-28 calculated assuming the whole surface radiation with temperature $T_{{\rm s}}=0.5\,{\rm MK}$. The increase in the number of background photons results in enhancement of the ICS process, and thus an increase of the secondary multiplicity $M_{{\rm sec}}\approx60$. For such conditions the final multiplicity of secondary plasma in the PSG-on mode is of the order of $M\approx10^{3}-10^{5}$. ~/Programs/studies/phd/lines/lines.py t0628_ics_b [Secondary plasma in the PSG-on mode [PSR B0628-28, $T_{{\rm s}}=0.5\,{\rm MK}$]]Secondary plasma produced in the PSG-on mode for PSR B0628-28. The left panel presents the places at which pairs are produced, while the right panel presents the histogram of particle energy. Plots were obtained in a cascade simulation calculated for $50$ primary particles with Lorentz factors in the range of $3\times10^{3}-1.2\times10^{4}$ moving along the extreme left open magnetic field line. The ICS process was calculated using the whole surface radiation with temperature $T_{{\rm s}}=0.5\,{\rm MK}$. CHAPTER: CONCLUSIONS The hot spot component identified in X-ray observations implies the non-dipolar structure of surface magnetic field. We used the Partially Screened Gap model to explain both the X-ray radiation of radio pulsars and production of secondary plasma suitable for generation of radio emission. § A SPECIAL CASE (PSR B0943+10) Our model predicts two additional sources of X-ray emission: (I) the warm spot component and (II) enhanced SR radiation in the PSG-off mode. The warm spot component is associated with particles originating from the antipodal polar cap, while the high luminosity of X-ray photons produced in the PSG-off mode is a result of strong anisotropy of backstreaming and outstreaming particles. Very recent results presented by 87 show the anti-correlation of radio and X-ray emission of PSR B0943+10. The authors suggest an unpulsed, non-thermal component in radio-bright mode and a $100\%$-pulsed thermal component along with a nonthermal component in a radio-quiet mode. In our model it is not possible to produce an unpulsed, nonthermal X-ray component without the accompanying blackbody radiation of the polar cap. Although it is possible to produce nonthermal X-ray radiation which obscures the thermal component (strong SR in the PSG-off mode with a high predominance of outstreaming particles), the resulting radiation should be pulsed. We believe that the X-ray radiation of PSR B0943+10 in the radio bright mode was misinterpreted as the nonthermal one. As shown in Figure <ref> (panel d), for a derived geometry of PSR B0943+10 the polar cap produces unpulsed, thermal radiation. Furthermore, as reported by the authors, in the radio-bright mode both the absorbed blackbody (BB) and the absorbed power-law (PL) models fit the spectrum equally well (see Table S4 in 87). We believe that the observed radiation modes of PSR B0943+10 correspond to a mode switch between the PSG-on (radio-bright) and the PSG-off mode (radio-quiet). When pulsar is in the PSG-on we observe both the radio emission and thermal radiation which originates from the polar cap. In the PSG-off mode the secondary plasma is not suitable to produce so strong radio emission as in the PSG-on mode, but the polar cap radiation is accompanied by pulsed, nonthermal emission produced by SR (see Sec. <ref>). § GAMMA-RAY PULSARS As was shown in Sections <ref> and <ref>, $\gamma$-rays produced in IAR and the inner magnetosphere cannot reach the observer due to efficient pair production in those regions. Current models of $\gamma$-ray emission propose that the emission comes from outer magnetospheric gaps. The non-dipolar structure of a magnetic field has two key implications on $\gamma$-ray emission models: (I) the formation of slot gaps is not possible as pairs are produced along all open magnetic field lines, (II) the high density of electron-positron plasma ($n_{p}\gg n_{{\rm GJ}}$) produced in the inner magnetosphere prevents the outer gap formation. The high-density plasma which crosses the null line will screen the outer magnetospheric region due to plasma separation (acceleration of electrons and deceleration of positrons). Thus, the formation of outer gaps is possible only in special cases when the pulsar operates in the PSG-off mode and produces secondary plasma with low density $n_{p}\approx n_{{\rm GJ}}$. As recently reported by 4: “It is possible for relativistic populations of electrons and positrons in the current sheet of a pulsar’s wind right outside the light cylinder to emit synchrotron radiation that peaks in the ${\rm sub-GeV}$ to ${\rm GeV}$ regime, with $\gamma$-ray efficiencies similar to those observed for the Fermi/LAT pulsars.” We believe that the observed high-energetic $\gamma$-rays are produced in the not yet well explored region right outside the light cylinder. § RADIO EMISSION Pulsed radio emission remains one of the most intriguing puzzles of astrophysics. It is remarkable that despite the large ranges in $P$, $B_{{\rm d}}$, the variations in the pulse profile between different classes of neutron stars (young, old, millisecond, magnetars) are similar to those within classes [125]. The radio emission of most pulsars can be characterised by: a relatively narrow frequency range, $\sim100\,{\rm MHz}$ to $\sim10\,{\rm GHz}$, and a high degree of polarisation with a characteristic sweep of the position angle. The extremely high brightness temperature of pulsar radio emission (typically $T_{b}>10^{25}\,{\rm K}$) implies that a coherent emission mechanism is involved. Many radio emission mechanisms have been proposed, but no consensus on a specific emission mechanism has emerged. The radio observations alone cannot identify the emission mechanism and, hence, a model of the magnetosphere is needed to put constraints on the radio emission model. An acceptable emission mechanism must involve some form of instability to produce coherent radiation. The main difficulty in finding a specific emission mechanism is that many of the predicted features are common all proposed models. Furthermore, the polarisation can also be regarded as generic rather than associated with a specific emission mechanism [126]. The X-ray observations have allowed us to put constraints on the polar cap region of pulsars. The non-dipolar structure of the surface magnetic field causes plasma to form under similar conditions regardless of the global configuration of the magnetic field. We have showed that depending on the details of IAR, the resulting plasma either meets the requirements for efficient radio emission (suitable multiplicity and energy distribution of secondary plasma) or is not suitable to produce efficient radio emission (e.g. Geminga). Furthermore, the proposed drift model allows to find a connection between radio and X-ray emission processes (see Section <ref>). § THE MIXED MODE Although in the thesis we consider the PSG-on and PSG-off mode separately, in a real case both of these modes can coexist either on two separate polar caps or on the same polar cap occupying its different parts. In the latter case the change of modes is associated with varying degrees of intensity of the two modes. Furthermore, if specific conditions are met, the ICS process can be a main source of $\gamma$-photons in the lower parts of the gap, while the CR process can produce $\gamma$-photons in the upper parts of the acceleration region. In such a case distinguishing between the two modes is even more difficult. § SUMMARY The main propositions associated with this thesis are as follows: * The size of the hot spots implies that the magnetic field configuration just above the stellar surface differs significantly from a purely dipole one. * The analysis of X-ray observations shows that the temperature of the actual polar cap is equal to the so-called critical value, i.e. the temperature at which the outflow of thermal ions from the surface screens the gap completely. * The non-dipolar structure of a surface magnetic field and the high multiplicity of particles produced in IAR prevents the formation of slot and outer gaps. * The PSG model predicts the existence of two scenarios of gap breakdown: the PSG-off mode for CR-dominated gaps and the PSG-on mode for ICS-dominated * The two different scenarios of gap breakdown can in a natural way explain the mode-changing phenomenon when both modes produce plasma suitable to generate radio emission, and pulse nulling when the radio emission is not generated in one of the modes. * The mode changes of the IAR may explain the anti-correlation of radio and X-ray emission in very recent observations of PSR B0943+10 [87]. * The regular drift of subpulses can be expected only when the gap operates in the PSG-on mode. The proposed model of drift allows to connect the drift information obtained by radio observations with the X-ray data of rotation-powered pulsars. CHAPTER: ACKNOWLEDGEMENTS I would like to express my deep gratitude to Professor Giorgi Melikidze, my research supervisor, for his patient guidance, enthusiastic encouragement and useful critique of this research work. I would also like to thank Professor Janusz Gil for his advice and support which allowed me to complete this thesis. This research project would not have been possible without the support of many people. I would like to thank all my colleagues at the Institute of Astronomy who taught me a lot and never refused to help: Professor Ulrich Geppert, Professor Dorota Gondek-Rosińska, Professor Jarosław Kijak, Dr. Krzysztof Krzeszowki, Dr. Wojciech Lewandowski, Professor Andrzej Maciejewski, Dr. Krzysztof Maciesiak, Dr. Olaf Maron, Dr. Roberto Mignani, Dr. Marek Sendyk, and Dr. Agnieszka Słowikowska. 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arxiv-papers
2013-04-15T19:07:00
2024-09-04T02:49:44.402471
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Andrzej Szary", "submitter": "Andrzej Szary M.Sc.", "url": "https://arxiv.org/abs/1304.4203" }
1304.4339
# The unified method for the three-wave equation on the half-line Jian Xu School of Mathematical Sciences Fudan University Shanghai 200433 People’s Republic of China [email protected] and Engui Fan School of Mathematical Sciences, Institute of Mathematics and Key Laboratory of Mathematics for Nonlinear Science Fudan University Shanghai 200433 People’s Republic of China correspondence author:[email protected] ###### Abstract. We present a Riemann-Hilbert problem formalism for the initial-boundary value problem of the three-wave equation: $p_{ij,t}-\frac{b_{i}-b_{j}}{a_{i}-a_{j}}p_{ij,x}+\sum_{k}(\frac{b_{k}-b_{j}}{a_{k}-a_{j}}-\frac{b_{i}-b_{k}}{a_{i}-a_{k}})p_{ik}p_{kj}=0,\quad i,j,k=1,2,3,$ on the half-line. ###### Key words and phrases: Riemann-Hilbert problem, Three-wave equation, Initial-boundary value problem ## 1\. Introduction The 3-wave resonant interaction model described by the equations $\begin{array}[]{ll}p_{ij,t}-\frac{b_{i}-b_{j}}{a_{i}-a_{j}}p_{ij,x}+\sum_{k}(\frac{b_{k}-b_{j}}{a_{k}-a_{j}}-\frac{b_{i}-b_{k}}{a_{i}-a_{k}})p_{ik}p_{kj}=0,\\\\[4.0pt] i,j,k=1,2,3;\ a_{i}\neq a_{j},b_{i}\neq b_{j},\ {\rm for}\ i\neq j,\end{array}$ (1.1) is one of the important nonlinear models with numerous applications to physics [14]. The $3$\- and $N$-wave interaction models describe a special class of wave-wave interactions that are not sensitive on the physical nature of the waves and bear an universal character. This explains why they find numerous applications in physics and attract the attention of the scientific community over the last few decades [23, 24, 25, 20, 19, 22, 21, 9] and the references therin. The 3-wave equations can be solved through the inverse scattering method due to the fact that equation (1.1) admits a Lax representation [24, 25]. But until the 1990s, the inverse scattering method was pursued almost entirely for pure initial value problems. In 1997, Fokas announced a new unified approach for the analysis of inital-boundary value problems for linear and nonlinear integrable PDEs [1, 2, 3]. The Fokas method provides a generalization of the inverse scattering formalism from initial value to IBV problems, and over the last fifteen years, this method has been used to analyze boundary value problems for several of the most important integrable equations with $2\times 2$ Lax pairs, such as KdV, Schrödinger, sine-Gordon, and stationary axisymmetric Einstein equations, see e.g. [4, 6]. Just like the IST on the line, the unified method yields an expression for the solution of an initial- boundary value problem with that of a Riemann-Hilbert problem. In particular, the asymptotic behavior of the solution can be analyzed in an effective way by employing the Riemann-Hilbert problem and the steepest descent method introduced by Deift and Zhou [10]. Recently, Lenells develop a methodology for analyzing initial-boundary value problems for integrable evolution equations with Lax pairs involving $3\times 3$ matrices [7]. He also used this method to analyze the Degasperis-Procesi equation in [8]. Pelloni and Pinotsis also studied the boundary value problem of the $N-$wave equation by using the unified method [11]. Recently, Gerdjikov and Grahovski considered Cauchy problem of the 3-wave equation with with non-vanishing initial values [12]. In this paper we analyze the initial-boundary value problem of the three-wave equation (1.1) on the half-line. Compared with these two papers, there are two differences in our paper. The first difference is that we get the residue conditions of matrix function $M$ in the Riemann- Hilbert problem (see (2.27) in the next section 2). The second difference is that we the jump matrix $J$ is explicitly constructed ( see the equations (2.14) and (2.22) in the next section 2). Of course, the initial-boundary value problem for the $3-$wave equation does not need to analysis the global relation, because the initial data and the boundary data are all known. The organization of the paper is as follows. In the following section 2, we perform the spectral analysis of the associated Lax pair. And we formulate the main Riemann-Hilbert problem in section 3. ## 2\. Spectral Analysis Our goal in this section is to define analytic eigenfunctions of the Lax pair (2.1) which are suitable foe the formulation of a Riemann-Hilbert problem. ### 2.1. Lax pair We first consider the three-wave equations (1.1), with $(x,t)\in\Omega$, and $\Omega$ denoting the half-line domain $\Omega=\\{0<x<+\infty,0<t<T\\}$ and $T>0$ being a fixed final time. We denote the initial and boundary values by $p_{ij,0}(x)$ and $q_{ij,0}(t)$, respectively $p_{ij,0}(x)=p_{ij}(x,0),\quad q_{ij,0}(t)=p_{ij}(0,t)$ with $p_{ij,0}(x)$ and $q_{ij,0}(t)$ are rapidly decaying. Equation (1.1) admits the following Lax representation [14] $\left\\{\begin{array}[]{l}\phi_{x}=M\phi,\\\ \phi_{t}=N\phi,\end{array}\right.$ (2.1) where $M=i\lambda A+P$ and $N=i\lambda B+Q$, with $\begin{array}[]{ll}A=\left(\begin{array}[]{ccc}a_{1}&0&0\\\ 0&a_{2}&0\\\ 0&0&a_{3}\end{array}\right)&P=\left(\begin{array}[]{ccc}0&p_{12}&p_{13}\\\ p_{21}&0&p_{23}\\\ p_{31}&p_{32}&0\end{array}\right)\\\ B=\left(\begin{array}[]{ccc}b_{1}&0&0\\\ 0&b_{2}&0\\\ 0&0&b_{3}\end{array}\right)&Q=\left(\begin{array}[]{ccc}0&n_{12}p_{12}&n_{13}p_{13}\\\ n_{21}p_{21}&0&n_{23}p_{23}\\\ n_{31}p_{31}&n_{32}p_{32}&0\end{array}\right).\end{array}$ (2.2) Obviously, $trace(A)=trace(B)=0$. We also assume that $a_{1}>a_{2}>a_{3}$ and $b_{1}<b_{2}<b_{3}$. By using transformation $\mu=\phi e^{-i\lambda Ax-i\lambda Bt},$ we change Lax pair (2.1) in the form $\left\\{\begin{array}[]{l}\mu_{x}-i\lambda[A,\mu]=P\mu,\\\ \mu_{t}-i\lambda[B,\mu]=Q\mu,\end{array}\right.$ (2.3) which can be further written in differential form as $d(e^{-i\lambda\hat{A}x-i\lambda\hat{B}t}\mu)=W(x,t,\lambda),$ (2.4) where $W(x,t,\lambda)=e^{-i\lambda\hat{A}x-i\lambda\hat{B}t}(Pdx+Qdt)\mu$ (2.5) and $e^{\hat{A}}X=e^{A}Xe^{-A}$. ### 2.2. Spectral functions We define three eigenfunctions $\\{\mu_{j}\\}_{1}^{3}$ of (2.3) by the Volterra integral equations $\mu_{j}(x,t,\lambda)=\mathbb{I}+\int_{\gamma_{j}}e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}W_{j}(x^{\prime},t^{\prime},\lambda).\qquad j=1,2,3.$ (2.6) where $W_{j}$ is given by (2.5) with $\mu$ replaced with $\mu_{j}$, and the contours $\\{\gamma_{j}\\}_{1}^{3}$ are showed in Figure 1. Figure 1. The three contours $\gamma_{1},\gamma_{2}$ and $\gamma_{3}$ in the $(x,t)-$domain. And we have the following inequalities on the contours: $\begin{array}[]{ll}\gamma_{1}:&x-x^{\prime}\geq 0,t-t^{\prime}\leq 0,\\\ \gamma_{2}:&x-x^{\prime}\geq 0,t-t^{\prime}\geq 0,\\\ \gamma_{3}:&x-x^{\prime}\leq 0.\end{array}$ (2.7) So, these inequalities imply that the functions $\\{\mu_{j}\\}_{1}^{3}$ are bounded and analytic for $\lambda\in{\mathbb{C}}$ such that $\lambda$ belongs to $\begin{array}[]{ll}\mu_{1}:&(D_{2},\emptyset,D_{1}),\\\ \mu_{2}:&\emptyset,\\\ \mu_{3}:&(D_{1},\emptyset,D_{2}),\end{array}$ (2.8) where $\\{D_{n}\\}_{1}^{2}$ denote two open, pairwisely disjoint subsets of the complex $\lambda$ plane showed in Figure 2. Figure 2. The sets $D_{n}$, $n=1,2$, which decompose the complex $k-$plane. And the sets $\\{D_{n}\\}_{1}^{2}$ has the following properties: $\begin{array}[]{l}D_{1}=\\{\lambda\in{\mathbb{C}}|\mathrm{Re}{l_{1}}<\mathrm{Re}{l_{2}}<\mathrm{Re}{l_{3}},\mathrm{Re}{z_{1}}>\mathrm{Re}{z_{2}}>\mathrm{Re}{z_{3}}\\},\\\ D_{2}=\\{\lambda\in{\mathbb{C}}|\mathrm{Re}{l_{1}}>\mathrm{Re}{l_{2}}>\mathrm{Re}{l_{3}},\mathrm{Re}{z_{1}}<\mathrm{Re}{z_{2}}<\mathrm{Re}{z_{3}}\\},\\\ \end{array}$ where $l_{i}(\lambda)$ and $z_{i}(\lambda)$ are the diagonal entries of matrices $i\lambda A$ and $i\lambda B$, respectively. ### 2.3. Matrix valued FUNCTIONS $M_{n}$’s For each $n=1,2$, define a solution $M_{n}(x,t,\lambda)$ of (2.3) by the following system of integral equations: $(M_{n})_{ij}(x,t,\lambda)=\delta_{ij}+\int_{\gamma_{ij}^{n}}(e^{(-i\lambda\hat{A}x-i\lambda\hat{B}t)}W_{n}(x^{\prime},t^{\prime},\lambda))_{ij},\quad\lambda\in D_{n},\quad i,j=1,2,3.$ (2.9) where $W_{n}$ an $M_{n}$ are given by (2.5), and the contours $\gamma_{ij}^{n}$, $n=1,2$, $i,j=1,2,3$ are defined by $\gamma_{ij}^{n}=\left\\{\begin{array}[]{lclcl}\gamma_{1}&if&\mathrm{Re}l_{i}(\lambda)<\mathrm{Re}l_{j}(\lambda)&and&\mathrm{Re}z_{i}(\lambda)\geq\mathrm{Re}z_{j}(\lambda),\\\ \gamma_{2}&if&\mathrm{Re}l_{i}(\lambda)<\mathrm{Re}l_{j}(\lambda)&and&\mathrm{Re}z_{i}(\lambda)<\mathrm{Re}z_{j}(\lambda),\\\ \gamma_{3}&if&\mathrm{Re}l_{i}(\lambda)\geq\mathrm{Re}l_{j}(\lambda)&&.\\\ \end{array}\right.\quad\mbox{for }\quad\lambda\in D_{n}.$ (2.10) The following proposition ascertains that the $M_{n}$’s defined in this way have the properties required for the formulation of a Riemann-Hilbert problem. ###### Proposition 2.1. For each $n=1,2$, the function $M_{n}(x,t,\lambda)$ is well-defined by equation (2.9) for $\lambda\in\bar{D}_{n}$ and $(x,t)\in\Omega$. For any fixed point $(x,t)$, $M_{n}$ is bounded and analytic as a function of $\lambda\in D_{n}$ away from a possible discrete set of singularities $\\{\lambda_{j}\\}$ at which the Fredholm determinant vanishes. Moreover, $M_{n}$ admits a bounded and continuous extension to $\bar{D}_{n}$ and $M_{n}(x,t,\lambda)=\mathbb{I}+O(\frac{1}{\lambda}),\qquad\lambda\rightarrow\infty,\quad\lambda\in D_{n}.$ (2.11) ###### Proof. The bounedness and analyticity properties are established in appendix B in [7]. And substituting the expansion $M=M_{0}+\frac{M^{(1)}}{\lambda}+\frac{M^{(2)}}{\lambda^{2}}+\cdots,\qquad\lambda\rightarrow\infty.$ into the Lax pair (2.3) and comparing the terms of the same order of $\lambda$ yield the equation (2.11). ∎ ### 2.4. The jump matrices We define spectral functions $S_{n}(\lambda)$, $n=1,2$, and $S_{n}(\lambda)=M_{n}(0,0,\lambda),\qquad\lambda\in D_{n},\quad n=1,2.$ (2.12) Let $M$ denote the sectionally analytic function on the complex $\lambda-$plane which equals $M_{n}$ for $\lambda\in D_{n}$. Then $M_{n}$ satisfies the jump conditions $M_{1}=M_{2}J,\qquad\lambda\in{\mathbb{R}},$ (2.13) where the jump matrices $J(x,t,\lambda)$ are defined by $J=e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}(S_{2}^{-1}S_{1}).$ (2.14) According to the definition of the $\gamma^{n}$, we find that $\begin{array}[]{ll}\gamma^{1}=\left(\begin{array}[]{lll}\gamma_{3}&\gamma_{1}&\gamma_{1}\\\ \gamma_{3}&\gamma_{3}&\gamma_{1}\\\ \gamma_{3}&\gamma_{3}&\gamma_{3}\end{array}\right)&\gamma^{2}=\left(\begin{array}[]{lll}\gamma_{3}&\gamma_{3}&\gamma_{1}\\\ \gamma_{3}&\gamma_{3}&\gamma_{3}\\\ \gamma_{1}&\gamma_{1}&\gamma_{3}\end{array}\right)\\\ \end{array}$ (2.15) ### 2.5. The adjugated eigenfunctions We will also need the analyticity and boundedness properties of the minors of the matrices $\\{\mu_{j}(x,t,\lambda)\\}_{1}^{3}$. We recall that the adjugate matrix $X^{A}$ of a $3\times 3$ matrix $X$ is defined by $X^{A}=\left(\begin{array}[]{ccc}m_{11}(X)&-m_{12}(X)&m_{13}(X)\\\ -m_{21}(X)&m_{22}(X)&-m_{23}(X)\\\ m_{31}(X)&-m_{32}(X)&m_{33}(X)\end{array}\right),$ where $m_{ij}(X)$ denote the $(ij)$th minor of $X$. It follows from (2.3) that the adjugated eigenfunction $\mu^{A}$ satisfies the Lax pair $\left\\{\begin{array}[]{l}\mu_{x}^{A}+[i\lambda A,\mu^{A}]=-P^{T}\mu^{A},\\\ \mu_{t}^{A}+[i\lambda B,\mu^{A}]=-Q^{T}\mu^{A}.\end{array}\right.$ (2.16) where $V^{T}$ denote the transform of a matrix $V$. Thus, the eigenfunctions $\\{\mu_{j}^{A}\\}_{1}^{3}$ are solutions of the integral equations $\mu_{j}^{A}(x,t,\lambda)=\mathbb{I}-\int_{\gamma_{j}}e^{-i\lambda\hat{A}(x-x^{\prime})-i\lambda B(t-t^{\prime})}(P^{T}dx+Q^{T})\mu^{A},\quad j=1,2,3.$ (2.17) Then we can get the following analyticity and boundedness properties: $\begin{array}[]{ll}\mu_{1}^{A}:&(D_{1},\emptyset,D_{2}),\\\ \mu_{2}^{A}:&\emptyset,\\\ \mu_{3}^{A}:&(D_{2},\emptyset,D_{1}).\end{array}$ (2.18) ### 2.6. The computation of jump matrices Let us define the $3\times 3-$matrix value spectral functions $s(\lambda)$ and $S(\lambda)$ by $\mu_{3}(x,t,\lambda)=\mu_{2}(x,t,\lambda)e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}s(\lambda),$ (2.19a) $\mu_{1}(x,t,\lambda)=\mu_{2}(x,t,\lambda)e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}S(\lambda).$ (2.19b) Thus, $s(\lambda)=\mu_{3}(0,0,\lambda),\qquad S(\lambda)=\mu_{1}(0,0,\lambda).$ (2.20) And we deduce from the properties of $\mu_{j}$ and $\mu_{j}^{A}$ that $s(\lambda)$ and $S(\lambda)$ have the following boundedness properties: $\begin{array}[]{ll}s(\lambda):&(D_{1},\emptyset,D_{2}),\\\ S(\lambda):&(D_{2},\emptyset,D_{1}),\\\ s^{A}(\lambda):&(D_{2},\emptyset,D_{1}),\\\ S^{A}(\lambda):&(D_{1},\emptyset,D_{2}).\end{array}$ Moreover, $M_{n}(x,t,\lambda)=\mu_{2}(x,t,\lambda)e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}S_{n}(\lambda),\quad\lambda\in D_{n}.$ (2.21) ###### Proposition 2.2. The $S_{n}$ can be expressed in terms of the entries of $s(\lambda)$ and $S(\lambda)$ as follows: $\begin{array}[]{l}S_{1}=\left(\begin{array}[]{ccc}s_{11}&\frac{m_{33}(s)M_{21}(S)-m_{23}(s)M_{31}(S)}{(s^{T}S^{A})_{11}}&\frac{S_{13}}{(S^{T}s^{A})_{33}}\\\ s_{21}&\frac{m_{33}(s)M_{11}(S)-m_{13}(s)M_{31}(S)}{(s^{T}S^{A})_{11}}&\frac{S_{23}}{(S^{T}s^{A})_{33}}\\\ s_{31}&\frac{m_{23}(s)M_{11}(S)-m_{13}(s)M_{21}(S)}{(s^{T}S^{A})_{11}}&\frac{S_{33}}{(S^{T}s^{A})_{33}}\end{array}\right),\\\ S_{2}=\left(\begin{array}[]{ccc}\frac{S_{11}}{(S^{T}s^{A})_{11}}&\frac{m_{21}(s)M_{33}(S)-m_{31}(s)M_{23}(S)}{(s^{T}S^{A})_{33}}&s_{13}\\\ \frac{S_{21}}{(S^{T}s^{A})_{11}}&\frac{m_{11}(s)M_{33}(S)-m_{31}(s)M_{13}(S)}{(s^{T}S^{A})_{33}}&s_{23}\\\ \frac{S_{31}}{(S^{T}s^{A})_{11}}&\frac{m_{11}(s)M_{23}(S)-m_{21}(s)M_{13}(S)}{(s^{T}S^{A})_{33}}&s_{33}\end{array}\right),\end{array}$ (2.22) where $m_{ij}$ and $M_{ij}$ denote that the $(i,j)-$th minor of $s$ and $S$, respectively. ###### Proof. Let $\gamma_{3}^{X_{0}}$ denote the contour $(X_{0},0)\rightarrow(x,t)$ in the $(x,t)-$plane, here $X_{0}>0$ is a constant. We introduce $\mu_{3}(x,t,k;X_{0})$ as the solution of (2.6) with $j=3$ and with the contour $\gamma_{3}$ replaced by $\gamma_{3}^{X_{0}}$. Similarly, we define $M_{n}(x,t,\lambda;X_{0})$ as the solution of (2.9) with $\gamma_{3}$ replaced by $\gamma_{3}^{X_{0}}$. We will first derive expression for $S_{n}(\lambda;X_{0})=M_{n}(0,0,\lambda;X_{0})$ in terms of $S(\lambda)$ and $s(\lambda;X_{0})=\mu_{3}(0,0,\lambda;X_{0})$. Then (2.22) will follow by taking the limit $X_{0}\rightarrow\infty$. First, We have the following relations: $\left\\{\begin{array}[]{l}M_{n}(x,t,\lambda;X_{0})=\mu_{1}(x,t,\lambda)e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}R_{n}(\lambda;X_{0}),\\\ M_{n}(x,t,\lambda;X_{0})=\mu_{2}(x,t,\lambda)e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}S_{n}(\lambda;X_{0}),\\\ M_{n}(x,t,\lambda;X_{0})=\mu_{3}(x,t,\lambda)e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}T_{n}(\lambda;X_{0}).\end{array}\right.$ (2.23) Then we get $R_{n}(\lambda;X_{0})$ and $T_{n}(\lambda;X_{0})$ are defined as follows: $R_{n}(\lambda;X_{0})=e^{-i\lambda\hat{B}T}M_{n}(0,T,\lambda;X_{0}),$ (2.24a) $T_{n}(\lambda;X_{0})=e^{-i\lambda\hat{A}X_{0}}M_{n}(X_{0},0,\lambda;X_{0}).$ (2.24b) The relations (2.23) imply that $s(\lambda;X_{0})=S_{n}(\lambda;X_{0})T^{-1}_{n}(\lambda;X_{0}),\qquad S(\lambda)=S_{n}(\lambda;X_{0})R^{-1}_{n}(\lambda;X_{0}).$ (2.25) These equations constitute a matrix factorization problem which, given $\\{s(\lambda),S(\lambda)\\}$ can be solved for the $\\{R_{n},S_{n},T_{n}\\}$. Indeed, the integral equations (2.9) together with the definitions of $\\{R_{n},S_{n},T_{n}\\}$ imply that $\left\\{\begin{array}[]{lll}(R_{n}(\lambda;X_{0}))_{ij}=0&if&\gamma_{ij}^{n}=\gamma_{1},\\\ (S_{n}(\lambda;X_{0}))_{ij}=0&if&\gamma_{ij}^{n}=\gamma_{2},\\\ (T_{n}(\lambda;X_{0}))_{ij}=0&if&\gamma_{ij}^{n}=\gamma_{3}.\end{array}\right.$ (2.26) It follows that (2.25) are 18 scalar equations for 18 unknowns. By computing the explicit solution of this algebraic system, we find that $\\{S_{n}(\lambda;X_{0})\\}_{1}^{2}$ are given by the equation obtained from (2.22) by replacing $\\{S_{n}(\lambda),s(\lambda)\\}$ with $\\{S_{n}(\lambda;X_{0}),s(\lambda;X_{0})\\}$. taking $X_{0}\rightarrow\infty$ in this equation, we arrive at (2.22). ∎ ### 2.7. The residue conditions Since $\mu_{2}$ is an entire function, it follows from (2.21) that M can only have singularities at the points where the $S_{n}^{\prime}s$ have singularities. We infer from the explicit formulas (2.22) that the possible singularities of $M$ are as follows: * • $[M]_{1}$ could have poles in $D_{2}$ at the zeros of $(S^{T}s^{A})_{11}(\lambda)$; * • $[M]_{2}$ could have poles in $D_{1}$ at the zeros of $(s^{T}S^{A})_{11}(\lambda)$; * • $[M]_{2}$ could have poles in $D_{2}$ at the zeros of $(s^{T}S^{A})_{33}(\lambda)$; * • $[M]_{3}$ could have poles in $D_{1}$ at the zeros of $(S^{T}s^{A})_{33}(\lambda)$. We denote the above possible zeros by $\\{\lambda_{j}\\}_{1}^{N}$ and assume they satisfy the following assumption. ###### Assumption 2.3. We assume that * • $(S^{T}s^{A})_{11}(\lambda)$ has $n_{0}$ possible simple zeros in $D_{2}$ denoted by $\\{\lambda_{j}\\}_{1}^{n_{0}}$; * • $(s^{T}S^{A})_{11}(\lambda)$ has $n_{1}-n_{0}$ possible simple zeros in $D_{1}$ denoted by $\\{\lambda_{j}\\}_{n_{0}+1}^{n_{1}}$; * • $(s^{T}S^{A})_{33}(\lambda)$ has $n_{2}-n_{1}$ possible simple zeros in $D_{2}$ denoted by $\\{\lambda_{j}\\}_{n_{1}+1}^{n_{2}}$; * • $(S^{T}s^{A})_{33}(\lambda)$ has $n_{3}-n_{2}$ possible simple zeros in $D_{1}$ denoted by $\\{\lambda_{j}\\}_{n_{2}+1}^{N}$; and that none of these zeros coincide. Moreover, we assume that none of these functions have zeros on the boundaries of the $D_{n}$’s. We determine the residue conditions at these zeros in the following: ###### Proposition 2.4. Let $\\{M_{n}\\}_{1}^{2}$ be the eigenfunctions defined by (2.9) and assume that the set $\\{\lambda_{j}\\}_{1}^{N}$ of singularities are as the above assumption. Then the following residue conditions hold: $\displaystyle\begin{array}[]{l}{Res}_{\lambda=\lambda_{j}}[M]_{1}=\frac{1}{\dot{(S^{T}s^{A})_{11}(\lambda_{j})}}\frac{(S_{11}s_{23}-S_{21}s_{13})(\lambda_{j})}{m_{31}(\lambda_{j})}e^{\theta_{21}(\lambda_{j})}[M(\lambda_{j})]_{2},\\\ \quad 1\leq j\leq n_{0},\lambda_{j}\in D_{2}\end{array},$ (2.27c) $\displaystyle\begin{array}[]{l}{Res}_{\lambda=\lambda_{j}}[M]_{2}=-\frac{1}{\dot{(s^{T}S^{A})_{11}(\lambda_{j})}}\frac{M_{21}(S^{T}s^{A})_{33}(\lambda_{j})}{(S_{13}(\lambda_{j})s_{31}(\lambda_{j})-S_{33}(\lambda_{j})s_{11}(\lambda_{j}))}e^{\theta_{12}(\lambda_{j})}[M(\lambda_{j})]_{1},\\\ \quad n_{0}<j\leq n_{1},\lambda_{j}\in D_{1}\end{array},$ (2.27f) $\displaystyle\begin{array}[]{l}{Res}_{\lambda=\lambda_{j}}[M]_{2}=-\frac{1}{\dot{(s^{T}S^{A})_{33}(\lambda_{j})}}\frac{M_{23}(S^{T}s^{A})_{11}(\lambda_{j})}{(s_{13}(\lambda_{j})S_{31}(\lambda_{j})-s_{33}(\lambda_{j})S_{11}(\lambda_{j}))}e^{\theta_{32}(\lambda_{j})}[M(\lambda_{j})]_{3},\\\ \quad n_{1}<j\leq n_{2},\lambda_{j}\in D_{2}\end{array},$ (2.27i) $\displaystyle\begin{array}[]{l}{Res}_{\lambda=\lambda_{j}}[M]_{3}=\frac{1}{\dot{(S^{T}s^{A})_{33}(\lambda_{j})}}\frac{(S_{13}s_{21}-S_{23}s_{11})(\lambda_{j})}{m_{33}(\lambda_{j})}e^{\theta_{23}(\lambda_{j})}[M(\lambda_{j})]_{2},\\\ \quad n_{2}<j\leq N,\lambda_{j}\in D_{1}\end{array},$ (2.27l) where $\dot{f}=\frac{df}{d\lambda}$, and $\theta_{ij}$ is defined by $\theta_{ij}(x,t,\lambda)=(l_{i}-l_{j})x+(z_{i}-z_{j})t,\quad i,j=1,2,3.$ (2.28) ###### Proof. We will prove (2.27c), (2.27f), the other conditions follow by similar arguments. Equation (2.21) implies the relation $M_{1}=\mu_{2}e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}S_{1},$ (2.29a) $M_{2}=\mu_{2}e^{(i\lambda\hat{A}x+i\lambda\hat{B}t)}S_{2}.$ (2.29b) In view of the expressions for $S_{1}$ and $S_{2}$ given in (2.22), the three columns of (2.29a) read: $\displaystyle[M_{1}]_{1}=[\mu_{2}]_{1}s_{11}(\lambda)+[\mu_{2}]_{2}e^{\theta_{21}}s_{21}(\lambda)+[\mu_{2}]_{3}e^{\theta_{31}}s_{31}(\lambda),$ (2.30a) $\displaystyle\begin{array}[]{ll}[M_{1}]_{2}=&[\mu_{2}]_{1}e^{\theta_{12}}\frac{m_{33}M_{21}-m_{23}M_{31}}{(s^{T}S^{A})_{11}}(\lambda)+[\mu_{2}]_{2}\frac{m_{33}M_{11}-m_{13}M_{31}}{(s^{T}S^{A})_{11}}(\lambda)\\\ &+[\mu_{2}]_{3}e^{\theta_{32}}\frac{m_{23}M_{11}-m_{13}M_{21}}{(s^{T}S^{A})_{11}}(\lambda)\end{array},$ (2.30d) $\displaystyle[M_{1}]_{3}=[\mu_{2}]_{1}e^{\theta_{13}}\frac{S_{13}}{(S^{T}s^{A})_{33}}(\lambda)+[\mu_{2}]_{2}e^{\theta_{23}}\frac{S_{23}}{(S^{T}s^{A})_{33}}(\lambda)+[\mu_{2}]_{3}\frac{S_{33}}{(S^{T}s^{A})_{33}}(\lambda).$ (2.30e) while the three columns of (2.29b) read: $\displaystyle[M_{2}]_{1}=[\mu_{2}]_{1}\frac{S_{11}}{(S^{T}s^{A})_{11}}(\lambda)+[\mu_{2}]_{2}e^{\theta_{21}}\frac{S_{21}}{(S^{T}s^{A})_{11}}(\lambda)+[\mu_{2}]_{3}e^{\theta_{31}}\frac{S_{31}}{(S^{T}s^{A})_{11}}(\lambda),$ (2.31a) $\displaystyle\begin{array}[]{ll}[M_{2}]_{2}=&[\mu_{2}]_{1}e^{\theta_{12}}\frac{m_{21}M_{33}-m_{31}M_{23}}{(s^{T}S^{A})_{33}}(\lambda)+[\mu_{2}]_{2}\frac{m_{11}M_{33}-m_{31}M_{13}}{(s^{T}S^{A})_{33}}(\lambda)\\\ &+[\mu_{2}]_{3}e^{\theta_{32}}\frac{m_{11}M_{23}-m_{21}M_{13}}{(s^{T}S^{A})_{33}}(\lambda)\end{array},$ (2.31d) $\displaystyle[M_{2}]_{3}=[\mu_{2}]_{1}s_{13}e^{\theta_{13}}+[\mu_{2}]_{2}s_{23}e^{\theta_{23}}+[\mu_{2}]_{3}s_{33}.$ (2.31e) We first suppose that $\lambda_{j}\in D_{2}$ is a simple zero of $(S^{T}s^{A})_{11}(\lambda)$. Solving (2.31d) and (2.31e) for $[\mu_{2}]_{1}$ and $[\mu_{2}]_{2}$ and substituting the result in to (2.31a), we find $\begin{array}[]{rl}[M_{1}]_{1}=&\frac{S_{11}s_{23}-S_{21}s_{13}}{(S^{T}s^{A})_{11}m_{31}}e^{\theta_{21}}[M_{2}]_{2}+\frac{M_{33}}{m_{31}}e^{\theta_{31}}[M_{2}]_{3}\\\ &+\frac{1}{m_{31}}e^{\theta_{31}}[\mu_{2}]_{3}\end{array}.$ Taking the residue of this equation at $\lambda_{j}$, we find the condition (2.27c) in the case when $\lambda_{j}\in D_{2}$. Similarly, we can get the equation (2.27l). Then let us consider that $\lambda_{j}\in D_{1}$ is a simple zero of $(s^{T}S^{A})_{11}(\lambda)$. Solving (2.30a) and (2.30e) for $[\mu_{2}]_{1}$ and $[\mu_{2}]_{3}$ and substituting the result in to (2.30d), we find $\begin{array}[]{rl}[M_{1}]_{2}=&-\frac{M_{21}(S^{T}s^{A})_{33}}{(s^{T}S^{A})_{11}(S_{13}s_{31}-S_{33}s_{11})}e^{\theta_{12}}[M_{1}]_{1}-\frac{(S^{T}s^{A})_{33}}{S_{13}s_{31}-S_{33}s_{11}}[\mu_{2}]_{2}\\\ &-\frac{m_{23}(S^{T}s^{A})_{33}}{S_{13}s_{31}-S_{33}s_{11}}e^{\theta_{32}}[M_{1}]_{3}\end{array}.$ Taking the residue of this equation at $\lambda_{j}$, we find the condition (2.27f) in the case when $\lambda_{j}\in D_{1}$. Similarly, we can get the equation (2.27i). ∎ ## 3\. The Riemann-Hilbert problem The sectionally analytic function $M(x,t,\lambda)$ defined in section 2 satisfies a Riemann-Hilbert problem which can be formulated in terms of the initial and boundary values of $p_{ij}(x,t)$. By solving this Riemann-Hilbert problem, the solution of (1.1) can be recovered for all values of $x,t$. ###### Theorem 3.1. Suppose that $p_{ij}(x,t)$ are a solution of (1.1) in the half-line domain $\Omega$ with sufficient smoothness and decays as $x\rightarrow\infty$. Then $p_{ij}(x,t)$ can be reconstructed from the initial value $\\{p_{ij,0}(x)\\}_{i,j=1}^{3}$ and boundary values $\\{q_{ij,0}(t)\\}_{i,j=1}^{3}$ defined as follows, $p_{ij,0}(x)=p_{ij}(x,0),\quad q_{ij,0}(t)=p_{ij}(0,t).$ (3.1) Use the initial and boundary data to define the jump matrices $J(x,t,\lambda)$ as well as the spectral $s(\lambda)$ and $S(\lambda)$ by equation (2.19). Assume that the possible zeros $\\{\lambda_{j}\\}_{1}^{N}$ of the functions $(S^{T}s^{A})_{33}(\lambda),(s^{T}S^{A})_{11}(\lambda)$, $(s^{T}S^{A})_{33}(\lambda),(S^{T}s^{A})_{33}(\lambda)$ are as in assumption 2.3. Then the solution $\\{p_{ij}(x,t)\\}_{i,j=1}^{3}$ is given by $p_{ij}(x,t)=-i(a_{i}-a_{j})\lim_{\lambda\rightarrow\infty}(\lambda M(x,t,\lambda))_{ij}.$ (3.2) where $M(x,t,\lambda)$ satisfies the following $3\times 3$ matrix Riemann- Hilbert problem: * • $M$ is sectionally meromorphic on the complex $\lambda-$plane with jumps across the contour ${\mathbb{R}}$, see Figure 2. * • Across the contour ${\mathbb{R}}$, $M$ satisfies the jump condition $M_{1}(x,t,\lambda)=M_{2}(x,t,\lambda)J(x,t,\lambda),\quad\lambda\in{\mathbb{R}}.$ (3.3) where the jump $J$ is defined by the equation (2.14). * • $M(x,t,\lambda)=\mathbb{I}+O(\frac{1}{\lambda}),\qquad\lambda\rightarrow\infty$. * • The residue condition of $M$ is showed in Proposition 2.4. ###### Proof. It only remains to prove (3.2) and this equation follows from the large $\lambda$ asymptotics of the eigenfunctions. We write the large $\lambda$ asymptotics of $M$ as follows: $M(x,t,\lambda)=M_{0}(x,t)+\frac{M_{1}(x,t)}{\lambda}+\cdots.\qquad\lambda\rightarrow+\infty.$ (3.4) And insert this equation into the equation (2.3) and compare the coeffients of the same order $\lambda$, for the $O(\lambda)$, we have $M_{0}$ is a diagonal matrix ; for the $O(1)$, we get $M_{0}=\mathbb{I}$ by comparing the diagonal elements, and we can have the following equation by comparing the other elements $-i[A,M_{1}]=P,$ (3.5) this equation reads the required result of $p_{ij}(x,t)$ $p_{ij}(x,t)=-i(a_{i}-a_{j})M_{1,ij}(x,t).$ (3.6) ∎ Acknowledgements The work of Xu was partially supported by Excellent Doctor Research Funding Project of Fudan University. The work described in this paper was supported by grants from the National Science Foundation of China (Project No.10971031;11271079), Doctoral Programs Foundation of the Ministry of Education of China, and the Shanghai Shuguang Tracking Project (project 08GG01). ## References * [1] A. S. Fokas, A unified transform method for solving linear and certain nonlinear PDEs, Proc. R. Soc. Lond. A 453(1997), 1411-1443. * [2] A. S. Fokas, Integrable nonlinear evolution equations on the half-line, Commun. Math. Phys. 230(2002), 1-39. * [3] A.S. Fokas, A unified approach to boundary value problems, in: CBMS-NSF Regional Conference Series in Applied Mathematics, SIAM, 2008. * [4] A. Boutet De Monvel, A.S. Fokas, D. Shepelsky, Integrable nonlinear evolution equations on a finite interval, Comm. Math. Phys. 263 (2006) 133-172. * [5] J. Lenells, Boundary value problems for the stationary axisymmetric Einstein equations: a disk rotating around a black hole, Comm. Math. Phys. 304 (2011) 585-635. * [6] J. Lenells, A.S. Fokas, Boundary-value problems for the stationary axisymmetric Einstein equations: a rotating disc, Nonlinearity 24 (2011) 177-206. * [7] J. Lenells, Initial-boundary value problems for integrable evolution equations with $3\times 3$ Lax pairs, Phys D 241(2012) 857-875. * [8] J. Lenells, The Degasperis-Procesi equation on the half-line, Nonlinear Analysis 76(2013) 122-139. * [9] R. Beals, R. R. Coifman, Scattering and inverse scattering for first order systems, Comm. Pure Appl. Math. 37 (1984), 39-90. * [10] P. Deift and X. Zhou, A steepest descent method for oscillatory Riemann–Hilbert problems, Ann. of Math. (2) 137(1993), 295-368. * [11] B. Pelloni and D. Pinotsis, Boundary value problems for the N-wave interaction equation, Phys. Lett. A 373 (2009), 1940-1950. * [12] V. S. Gerdjikov and G. G. Grahovski, On the 3-wave equations with constant boundary conditions, arXiv:1204.5346. * [13] V. S. Gerdjikov, G. G. Grahovski and N. A. Kostov, On N-wave type systems and their gauge equivalent, Euro. Phys. J. B 29 (2002) 243 248\. * [14] Y. S. Li, Soliton and Integrable System, Advanced Series in Nonlinear Science,(1999) (in Chinese). * [15] S. C. Chiu, On the self-induced transparency effect of the three-wave resonant process, J. Math. Phys. 19 (1978), 168-176. * [16] F. Calogero, A. Degasperis, Novel solution of the system describing the resonant interaction of three waves, Phys. D 200 (2005), 242-256. * [17] F. Calogero, Universality and integrability of the nonlinear evolution PDE s describing N-wave integrations, J. Math. Phys., 30 (1989), 28-40. * [18] F. Calogero, Solutions of certain integrable nonlinear PDE s describing nonresonant N-wave integrations, J. Math. Phys., 30 (1989), 639-654. * [19] L. D. Faddeev , L. A Takhtadjan., Hamiltonian approach in the theory of solitons, Springer Verlag, Berlin (1987). * [20] D. J Kaup., The three-wave interaction-a nondispersive phenomenon, Stud. Appl. Math. 55 (1976), 9-44. * [21] D. J Kaup., A. Reiman , A. Bers , Space-time evolution of nonlinear three-wave interactions. I. Interactions in an homogeneous medium, Rev. Mod. Phys. 51 (1979), 275-310. * [22] S. V. Manakov, An example of a completely integrable nonlinear wave field with non-trivial dynamics (Lee model), Teor. Mat. Phys. 28 (1976), 172-179. * [23] V. E. Zakharov, S. V Manakov., Exact theory of resonant interaction of wave packets in nonlinear media, INF preprint 74-41, Novosibirsk (1975) (In Russian). * [24] V. E. Zakharov, S. V Manakov., On the theory of resonant interaction of wave packets in nonlinear media, Zh. Exp. Teor. Fiz., 69 (1975), 1654-1673 (In Russian). * [25] V. E. Zakharov, S. V. Manakov, S. P. Novikov, L. I. Pitaevskii, Theory of solitons: the inverse scattering method, Consultant Bureau, Plenum Press, N.Y. (1984).
arxiv-papers
2013-04-16T06:36:14
2024-09-04T02:49:44.449784
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jian Xu, Engui Fan", "submitter": "Engui Fan", "url": "https://arxiv.org/abs/1304.4339" }
1304.4387
# Lagrangian transport in a microtidal coastal area: the Bay of Palma, island of Mallorca, Spain Ismael Hernández-Carrasco Cristóbal López Emilio Hernández-García IFISC, Instituto de Física Interdisciplinar y Sistemas Complejos (CSIC-UIB), 07122 Palma de Mallorca, Spain Alejandro Orfila IMEDEA, Instituto Mediterráneo de Estudios Avanzados (CSIC-UIB), 07190 Esporles, Spain ###### Abstract Coastal transport in the Bay of Palma, a small region in the island of Mallorca, Spain, is characterized in terms of Lagrangian descriptors. The data sets used for this study are the output for two months (one in autumn and one in summer) of a high resolution numerical model, ROMS, forced atmospherically and with a spatial resolution of 300 m. The two months were selected because its different wind regime, which is the main driver of the sea dynamics in this area. Finite-size Lyapunov Exponents (FSLEs) were used to locate semi- persistent Lagrangian coherent structures (LCS) and to understand the different flow regimes in the Bay. The different wind directions and regularity in the two months have a clear impact on the surface Bay dynamics, whereas only topographic features appear clearly in the bottom structures. The fluid interchange between the Bay and the open ocean was studied by computing particle trajectories and Residence Times (RT) maps. The escape rate of particles out of the Bay is qualitatively different, with a 32$\%$ more of escape rate of particles to the ocean in October than in July, owing to the different geometric characteristics of the flow. We show that LCSs separate regions with different transport properties by displaying spatial distributions of residence times on synoptic Lagrangian maps together with the location of the LCSs. Correlations between the time-dependent behavior of FSLE and RT are also investigated, showing a negative dependence when the stirring characterized by FSLE values moves particles in the direction of escape. ## I Introduction The study of transport and mixing in coastal flows is of major interest because of their economic and ecological importance. Due to the particularities that they present, like influence of complex topography, coastline shape and the direct driving at the surface by highly variable wind forcing, coastal flow dynamics remains still poorly understood. Recently, coastal observations and modeling efforts in different regions have been addressed from the Lagrangian point of view: Lekien et al. (2005) showed that Lagrangian Coherent Structures (LCSs) computed from velocity fields obtained from HF Radar measurements can be used to predict pollutant dispersion in the coast of Florida; Gildor et al. (2009) and Shadden et al. (2009) detected LCSs with HF Radar data in the Gulf of Eliat, Israel, and in Monterey Bay, respectively. Haza et al. (2010) studied small-scale properties of dispersion measurements obtained from HF Radar data in the Gulf of La Spezia, Italy. Also Nencioli et al. (2011) have detected LSCs in a coastal region with a Lyapunov method based on in situ observations. Besides Radar measurements, LCSs obtained from velocity data of high resolution numerical models have been used to analyze the effect of the waves on LCS in the Bay of Palma, Spain (Galan et al., 2012), to study the transport in the tidal flow of Ria de Vigo, Spain (Huhn et al., 2012), or to study the water quality of a very small coastal region, the Hobie Beach, USA (Fiorentino et al., 2012) Also, data from drifters released in the Santa Barbara Channel were used by Ohlmann et al. (2012) to characterize relative dispersion, very useful to improve Lagrangian stochastic models. The application of Lagrangian techniques to study the dynamics in a shallow lake (small closed basin) has been performed in Pattantyús-Ábrahám et al. (2008). Palma is the largest city in the Balearic Islands. Human activities, in particular recreational ones, give to water quality in the Bay of Palma a large economic value. A proper analysis of transport can be useful to understand the fluid dynamics in the Bay and therefore help protect the coastal water. Previous studies performed in the Bay of Palma used Eulerian techniques to understand the coastal dynamics (Jordi et al., 2009, 2011). In this work we study some transport properties in the Bay of Palma using Lagrangian techniques developed from dynamical systems theory. Computing both LCSs and residence times the Bay of Palma can be sorted in regions of different properties, for example having more or less connectivity with the open ocean. This kind of studies have demonstrated to be useful to identify pollution pathways or conditions for red tides (Lekien et al., 2005; Fiorentino et al., 2012). The Bay is a semi-enclosed basin located in the southwest of the island of Mallorca (western Mediterranean sea), whose coastal flow is mainly induced by the wind (Jordi et al., 2009, 2011). Forcing by tides is almost negligible with a tidal amplitude of less than 0.25$m$. This makes the dynamics here different form other locations (e.g. Shadden et al. (2009); Huhn et al. (2012)) where tides are dominant, and then provides the opportunity to test the performance of dynamical systems tools in this situation in which forcing only acts directly on the sea surface, and in which there are rather different forcing regimes depending on the season. The Lagrangian diagnosis will be obtained from velocity data of a realistic numerical model at high resolution, which resolves spatial scales of a few hundred of meters. We investigate the surface horizontal transport during two months corresponding to different seasons (autumn and summer), and therefore to different wind conditions, in order to highlight the effect of the wind on transport. In the case of July we also study the deepest bottom layer. We compute the barriers and avenues to transport (LCS) from lines of high values of Finite-Size Lyapunov Exponents (FSLE). We also present calculations of residence times and show synoptic Lagrangian maps (SLM) of these times (Lipphardt et al., 2006), which will allow us a detailed visualization of the interchange of fluid particles between the Bay and the open sea. The relationship between LCSs and areas of different residence times will be analyzed. The organization of this paper is as follows. The data set used in the computations and the area of study is described in Section II. Section III presents a brief overview of the Lagrangian tools that are used. Before presenting the Lagrangian results, we show in Section IV a short summary of Eulerian results by studying the velocties in the Bay. We present in Section V a characterization of stirring in the Bay of Palma in terms of FSLE and residence times. Using the definition of LCS given in Section III, Lagrangian barriers are identified in the domain of interest. We compute escape rates and residence times of fluid particles to describe the transport relation between the Bay and the open ocean. We provide possible mechanisms to explain differences in the residences times and FSLE between different seasonal months. Finally we summarize the main results in Section VI. Figure 1: Bathymetry contours (in meters) of the model domain. The black box indicates the Palma Bay and the inset graphics give the geographical location of Mallorca Island in the western Mediterranean Sea. ## II Data and characteristics of the study region ### II.1 Area of study The island of Mallorca (Fig. 1) is part of the Balearic Islands Archipelago and is located in the center of the western Mediterranean (between 39∘ and 40∘N and 2.50∘ and 3.50∘ E). The Bay of Palma is a nearly semi-circular and semi-enclosed basin located in the southwest coast of Mallorca and it can reach depths of more than 60 $m$. The Bay of Palma is defined as the water mass inside the square in Fig.1, consisting of a northern limit at 39∘34′N, a southern limit at 39∘24′N, and 2∘30′E and 2∘45′E as the western and eastern limits, respectively. The open boundary to the sea is in the southern part and it is 20 km wide. The size of the Bay is smaller than the Rossby radius of deformation at these latitudes, and the main circulation is determined by the bathymetry at the bottom layer and by local and remote winds at the surface layer. In particular the studies by Jordi et al. (2009, 2011) have shown that the major forcing mechanisms come from wind-induced island trapped waves (ITW) propagating at an island scale and by locally wind-induced mass balance. The intense ITW can produce new instabilities which can generate coastal gyres at submesoscale (see Jordi et al. (2011)). During summer there are persistent sea breeze conditions. In July and August, the weather is often almost identical from one day to the next. In the vicinity of the Bay and along the southern coast of Mallorca the breeze blows from the south-west. Several studies (Ramis and Alonso, 1988; Ramis and Romero, 1995), have pointed out that the meteorological conditions of Mallorca (intense solar radiation, clear skies, soil water deficit, dryness, weak surface pressure gradients, etc.) favors the development of sea breeze, often from April to October, and almost every day during July and August. Winds in autumn, and particularly in late September and October are more irregular, with episodes of strong storm activity (Tudurí and Ramis, 1997). ### II.2 Data The velocity data sets were obtained from the numerical model ROMS (Regional Ocean Model System). ROMS is a free surface, hydrostatic, primitive equation ocean model. The model uses a stretched, generalized nonlinear coordinate system to follow bottom topography in the vertical, and orthogonal curvilinear coordinates in the horizontal (Song and Haidvogel, 1994; Haidvogel et al., 2000). At each grid point, horizontal resolution $\Delta_{0}$ is the same in both the longitudinal, $\phi$, and latitudinal, $\theta$, directions. We run the simulation with a resolution of $\Delta_{0}=0.0027^{\circ}$ ($\sim$300$m$, ROMS300), which is itself nested into a larger and coarser grid with $\Delta_{0}$ =1/74∘ ($\sim$1500$m$). Boundary conditions for the coarser domain were taken from daily outputs of the Mediterranean Forecasting System (Dobricic et al., 2007; Oddo et al., 2009). The ROMS300 domain covers $39^{\circ}$12′N - $39^{\circ}$36′N (latitude), and $2^{\circ}$24′E - $3^{\circ}$6′E (longitude). The total number of grid nodes is 260 $\times$ 148\. Vertical resolution is variable with $10$ layers in total. All domains were forced using realistic winds provided by the PSU/NCAR mesoscale model MM5. The initial vertical structure of temperature and salinity was obtained from the Levitus database (Locarnini et al., 2006; Antonov et al., 2006). We will manage velocity data from the surface layer and the bottom layer for the grid of $\Delta_{0}$ $\approx$ 300$m$. This domain allows us to analyze the fluid interchange between the Bay and the open ocean, using a high resolution velocity field. Only horizontal velocities are considered, so that vertical displacements are neglected in the surface layer, and particles in the bottom remain in the bottom layer. This is justified by the small integration times we will use. Nevertheless, close to the coast they can have an impact that will be the subject of future work. The output of the model was compared with data from drifters (see Galan et al. (2012)) and a reasonable agreement was found, although it improved when adding the influence of wave intensity. Thus the present study should be considered as a simplified baseline case against which to compare the future consideration of the full 3d dynamics, or the influence of small scale process such as waves (Galan et al., 2012). We will study two different intervals of time corresponding to two different wind regimes: one starting on October $5$th, $2008$ and finishing on October $29$th, $2008$; and the other extending from July $1$st, $2009$ until July $26$th, $2009$. Temporal resolution is 15 minutes and 10 minutes for October and July, respectively, resulting in a total of $2375$ snapshots of the velocity field for October, and $3744$ for July. ## III Methodology ### III.1 LCSs and particle dispersion from FSLE Our methodology is based on the Lagrangian analysis of marine flows. In the Lagrangian view, particles are advected by the flow and their horizontal motion (neglecting motions between model layers) is governed by the differential equations $\displaystyle\frac{dx}{dt}$ $\displaystyle=$ $\displaystyle{v_{x}(x,y,t)},$ (1) $\displaystyle\frac{dy}{dt}$ $\displaystyle=$ $\displaystyle{v_{y}(x,y,t)},$ (2) where ($x(t),y(t)$) are the west-east and the south-north coordinates of the trajectories and ($v_{x},v_{y}$) are the eastwards and northwards components of the velocity. Because of the small sizes involved, we will use a Cartesian coordinate system. LCSs (Haller and Yuan, 2000; d’Ovidio et al., 2004; Shadden et al., 2005), are roughly defined as the material lines organizing the transport in the flow. They are the analogs, for time-dependent flows, of the unstable and stable manifolds of hyperbolic fixed points. Among other approaches (Mancho et al., 2006; Mendoza and Mancho, 2010; Mezić et al., 2010; Rypina et al., 2011; Haller and Beron-Vera, 2012), ridges of the local Lyapunov Exponents provide a convenient tool to locate them. In our case, we use the so-called Finite-Size Lyapunov Exponents (FSLEs) which are the adaptation of the asymptotic classical Lyapunov Exponent to finite spatial scales (Aurell et al., 1997; Boffetta et al., 2001). FSLEs are a local measure of particle dispersion and thus of stirring and mixing, as a function of the spatial resolution, serving to isolate the different regimes corresponding to different length scales of the oceanic flows, very useful in coastal systems (Cencini et al., 2010). In fact the first applications of the FSLE technique in oceanography were for closed or semi-closed basins (Buffoni et al., 1996, 1997). For two particles of fluid, one of them located at x, the FSLE at time $t_{0}$ and at the spatial point x is given by the formula: $\lambda(\textbf{x},t_{0},\delta_{0},\delta_{f})=\frac{1}{|\tau|}\ln{\frac{\delta_{f}}{\delta_{0}}},$ (3) where $\delta_{0}$ is the initial distance of the two given particles, and $\delta_{f}$ is their final distance. Thus, to compute the FSLEs we need to calculate the minimal time, $\tau$, needed for the two particles initially separated $\delta_{0}$, to get a final distance $\delta_{f}$ (in this way the FSLE represents the inverse time scale for mixing up fluid parcels between length scales $\delta_{0}$ and $\delta_{f}$). To obtain this time we need to know the trajectories of the particles (from Eqs. (1) and (2)) which gives the Lagrangian character to this quantity. The FSLEs are computed for the points x of a square lattice with lattice spacing coincident with the initial separation of fluid particles $\delta_{0}$. We can obtain a good estimation of the minimal $\tau$ at each site by selecting the trajectory which diverges the first among the four trajectories starting at the neighbors of the given site in the grid of initial conditions. Numerically we integrate the equations of motion using a standard, fourth-order Runge-Kutta scheme, with an integration time step corresponding to the time resolution of the velocity data: $dt=15$ minutes in October and $dt=10$ minutes in July. We have checked in selected trajectories that using in July the same time step $dt=15$ as in October does not alter the trajectories. Since velocity information is provided just in a discrete space-time grid, spatiotemporal interpolation of the velocity data is achieved by bilinear interpolation. For the spatial scales that define FSLEs, we take $\delta_{f}=0.1^{\circ}$, i.e., final separations of about $10\ km$, because of the size of the Bay. On the other side, we take $\delta_{0}$ equal to $75\ m$, four times smaller than the resolution of the velocity field, $\Delta_{0}=300\ m$. Since we are interested only in fast time scales, our integrations are restricted to 5 days. Locations for which the final separation at the end of this period has not reached the prescribed $\delta_{f}=10\ km$ (or for which particles have been trapped by land) are assigned a value $\lambda=0$. FSLEs can be computed from trajectory integration backwards and forward in time. Their highest values as a function of the initial location, x, organize in filamental structures approximating relevant manifolds: ridges in the spatial distribution of backward (forward) FSLEs identify regions of locally maximum compression (separation), approximating attracting (repelling) material lines or unstable (stable) manifolds of hyperbolic trajectories, which can be identified with the LCSs (Haller and Yuan, 2000; d’Ovidio et al., 2004; Shadden et al., 2005; Tew Kai et al., 2009; Hernández-Carrasco et al., 2011), and characterize the flow from the Lagrangian point of view (Joseph and Legras, 2002; Koh and Legras, 2002). Attracting LCSs associated to backward integration (the unstable manifolds) have a direct physical interpretation (Joseph and Legras, 2002; d’Ovidio et al., 2004, 2009). Tracers (chlorophyll, temperature, …) spread along these attracting LCSs, thus creating their typical filamental structure (Tél and Gruiz, 2006; Lehan et al., 2007; Tew Kai et al., 2009; Calil and Richards, 2010). When not stated explicitly, by FSLE we will mean the backwards FSLE values. In addition to locate spatial structures, time-averages of FSLE give an indication of the intensity of stirring in given areas, which we analyze in Sect. V.1. We close this section by noting that the relationship between LCSs and Lyapunov exponents is based on heuristic arguments which may not be correct in some cases (see for example Haller (2011)). We identify as possible LCSs only the locations having the largest values of FSLE, which align in linear structures. In this way we effectively select only the highest FSLE ridges which are more likely to organize the flow. Even in this case, it is possible that the FSLE technique identifies regions of high shear which are not hyperbolic and then may lack some of the properties of bona fide LCSs. Thus, direct inspection of particle trajectories and comparison with complementary techniques would be needed to confirm the validity of the FSLE approach in this situation. One of such complementary techniques is residence time maps that we present in the following section. ### III.2 Escape and residence times Another characteristic time-scale for transport processes in open flows is the so-called escape rate (Lai and Tel, 2011). This quantity measures how quickly particles trajectories escape from a domain. If we initiate $N(0)$ particles in a flow, we can measure how the trajectories escape the preselected region. In the case in which the decay in the number of particles remaining in the region up to time $t$, $N(t)$, decays exponentially with time, $N(t)/N(0)\sim e^{-\kappa t}$, there is a well-defined escape time defined as the inverse of the escape rate $\kappa$: $\tau_{e}=1/\kappa$. For the range of times explored in our work, we will see that the particle escape is close to exponential and then we can estimate the value of $\tau_{e}$. $\tau_{e}$ is a global quantity associated to the whole basin. A more detailed description of the transport processes can be obtained by other suitable Lagrangian quantities such as residence times (Buffoni et al., 1996, 1997; Falco et al., 2000; Orfila et al., 2005). The particle residence time (RT) is defined as the interval of time that a fluid particle remains in a region before crossing a particular boundary. For each fluid particle inside the Bay at an initial time, we need to compute two times: the forward exit time, $t_{f}$, computed as the time needed for a particle to cross the line delimiting the Bay, taking the forward-in-time dynamics; and the backward exit time, $t_{b}$, the same but in the backward-in-time dynamics. The residence time is defined as $RT=t_{f}+t_{b}$. RTs can be displayed in plots named Lagrangian Synoptic Maps (Lipphardt et al., 2006), in which the residence time of each fluid particle is referenced to its initial position on the grid. ## IV Preliminary Eulerian description A first approach to the transport process in the Bay can be a description from the Eulerian point of view, by studying averages of the velocity field. To do this we consider separately the meridional $v_{y}$ and zonal $v_{x}$ components of the surface flow, and we analyze the time evolution of their spatial averages. Figure 2: a) Complete time series throughout October of the zonal (top panels) and meridional (bottom panels) of the spatial average of the surface velocity field (black line). The red line is a running daily average. b) the same as a) but for July. Figure 3: Spectra for the zonal (left panels) and meridional component (right panels) of the surface velocity field ($m^{2}/s$)in October (top) and July (bottom) Figures 2 a) and b) show the time series of data taken every 15 min in October and 10 min in July (black lines), and daily average time series (red lines) of $v_{x}$ and $v_{y}$ for October and July, respectively. The impact of the more variable and stormy weather in October is clear in the high frequency variability of the time-series. During the two months both components of the flow present daily variability related to the presence of land and sea breezes. In July the zonal fluctuations are much more noticeable and regular than the meridional ones, being $\langle v_{y}\rangle$ very small. We have computed the power spectra for both months (see Fig. 3). In October, in addition to higher power at high frequencies, there are also stronger low- frequency fluctuations. From such features in their spectra of ADCP-derived velocities Jordi et al. (2011) identified wind-induced island trapped waves as the main source of variability in the Bay dynamics, in addition to the local wind (essentially sea breeze). In contrast, the dominant role of sea breeze in July is seen as the very strong dominance of the daily frequency peak at the July zonal spectrum. Comparing the velocity components of both months we observe quantitative differences. The values of $v_{y}$ in the case of October range from -1.0 to 1.5 $m/s$ (bottom panel of Fig. 2 a), while in the case of July, $v_{y}$ is two orders of magnitude smaller, ranging from -0.1 to 0.02 $m/s$ (bottom panel of Fig. 2 b). On other hand, $v_{x}$ are similar during October and July. In October, $v_{x}$ ranges from -1.5 to 0.5 $m/s$ (top panel of Fig. 2 a), the same order of magnitude than the meridional velocity, resulting in circular motions (clockwise along the Bay). In July the situation is significantly different. The zonal velocity ranges from -1.5 to 0.7 $m/s$ (top panel of Fig. 2 b), much larger than the meridional velocity, resulting in a flow consisting on oscillations along the zonal direction. In October the mean values (and the standard deviations given in parenthesis) of the time series are $<v_{x}>=-0.0704~{}(0.1897)m/s$ and $<v_{y}>=0.0440~{}(0.1982)m/s$. In July we have $<v_{x}>=0.0013~{}(0.3052)m/s$ and $<v_{y}>=-0.0140~{}(0.0134)m/s$. The large standard deviation in the zonal velocity in July is an indicator of the large (breeze induced) daily fluctuations in this month, but restricted to a single direction of motion. ## V Lagrangian Results ### V.1 Average characterization of stirring We now describe our Lagrangian results. First we compute the temporal average (over the months of October and July) of the FSLEs for the surface layer, and for July in the bottom layer. This calculation helps us to unveil areas of different stirring and the differences between layers and months. Figure 4: Spatial distribution of the time average of 6-hourly FSLEs maps over different months and at different layers: a) October at surface layer, b) July at surface layer, c) July at bottom layer. The surface computations for the different seasonal months, October and July (Fig. 4 a, b) show different values and spatial distributions of stirring. We use the same colorbar to compare the stirring in both months. The Bay of Palma appears to be an area with important activity. Average FSLE field looks more homogeneous in July than in October. During October filamental structures of high values of FSLE are accumulated over the northeast side of the Bay, forming a linear structure running from north to south-east which comes from similar structures in the instantaneous (non-averaged) fields that can act as barriers, therefore dividing the Bay in two flow regions of qualitatively different dynamics. The difference in wind regularity and intensity between these months, and the fact that local and remote winds are the main drivers of the bay dynamics, explains the difference in mean stirring distribution among the two months. The importance of wind will be replaced by bottom topography when going to the deep layers. The effect of the terrain topography on stirring is clear in Fig. 4 c), where FSLEs are computed at the deepest layer for July. The high values of time-averaged FSLEs are located close to a region of high bathymetry gradient, which seems to act as a barrier along which the flow is stretched. Figure 5: Evolution of the locations of two sets of particles in the Palma Bay during a night of October, superimposed on the spatial distributions of high values of backward FSLEs. The colorbars specify FSLE values in days-1. Zero FSLE values, displayed as white, are assigned to locations for which the particles do not attain the prescribed $\delta_{f}=10km$ separation after 5-days integration. Note the highest values of FSLEs (green lines) act as a barrier practically dividing the Bay in two parts. The two sets of particles are deployed from both sides of the barrier. (a) Initial conditions of the particles on October 8 at 20:00 GMT, 2008.; (b) October 9 at 00:00 GMT, 2008 ; (c) October 9 at 04:00 GMT, 2008 ; (d) October 9 at 08:00 GMT, 2008. Particles marked by black dots were released in the right side (northeast) of the barrier while the particles marked with red were released on the left side of the barrier. ### V.2 Coastal LCSs The temporal averages computed in Sec. V.1 give us a rough idea of stirring in the Bay. More detailed information is obtained by looking at non-averaged quantities, that may reveal the existence of barriers to transport. Figure 5 shows the location of the high backward FSLE values (LCSs), appearing as a network of lines, computed at successive instants of time in October. These temporary structures can remain for one or more days, as happens in October, or they can appear in the same location periodically (not shown). We stress here the appearance of a clear barrier, from north to south-east, that divides the Bay in two areas that correlates with the temporal average in Fig. 4 a). This barrier appears in almost the same position in different days, remaining without displacing too much. To effectively see that it acts as a barrier we have considered the evolution of virtual particles released at both sides of the barrier. Red and black particles do not mix and they tend to spread along the barrier (confirming that, as expected, it is an attracting line). In July the situation is rather different. Lines of high Lyapunov exponents (forward and backwards) are mainly oriented zonally in the bay (except close to the opening to the sea), which is also the dominant direction of motion. Thus, it does not seem that they represent hyperbolic LCS, but rather lines of intense shear between zonally moving strips. Figure 6: Average of 15 subsequent (started at $t_{0}$ values separated 18 hours) estimations of $N(t)$, the number of particles remaining in Palma Bay at least for a lapse of time $t$ after release at $t_{0}$. Black and red lines are for surface layer in October and July respectively. Dashed lines are the measured averages, and the solid lines are the indicated exponential fits. ### V.3 Transport between the Bay of Palma and the open sea In this section we study the surface transport of particles in and out of the Bay. To have an idea of the time scales involved in this interchange we proceed by computing the number of particles remaining in the Bay, $N(t)$, averaged over different starting times (separated by $18$hours in order to collect the information of diurnal and nocturnal signal; this gives us 15 different simulations to be averaged for each month) as a function of the integration time $t$. A particle is considered to leave the Bay when crossing the red open-sea boundary in Fig. 1, so that particles landing on the coast are considered not escaped. Fig. 6 shows the different average decays for October and July. In both cases $N(t)$ is reasonably fitted by an exponential in the considered time-range, thus identifying the escape rates $\kappa$ = 0.62 and 0.47 $days^{-1}$, respectively. The corresponding escape times, given by the inverse of the escape rate, are, respectively, $\tau_{e}$ = 1.61 and 2.12 $days$. The relative difference of the escape rates of July with respect to October, $(\kappa_{October}-\kappa_{July})/\kappa_{July}$, is 0.32. Thus the exchange of fluid particles between the Bay and the open ocean is a 32$\%$ more active in autumn than in summer. Next we compute synoptic maps of the residence times. As was indicated in Sec. III.2 the residence time of the particles throughout the study area is considered as the sum of the entry time ($t_{b}$) and the escape time ($t_{f}$). To compute $t_{f}$ and $t_{b}$ particles are initialized every 6 hours in a regular grid of 75$m$ spacing and they are integrated forward and backward in time during 5 days. We consider that 5 days is a proper integration time according with the time scales associated with the coastal processes of this small Bay, and also owing to the short period of the available data. In these computations we assign the maximum possible value of $t_{f}$ and $t_{b}$ (5 days) to the fluid particles that remain in the pre- selected area after the 5 days of integration. Figure 7: Lines are the locations of top values of FSLE (greater than $0.5days^{-1}$ in October and greater than $1.5days^{-1}$ in July). Backward FSLE lines are colored in black and forward FSLEs in white. They are superimposed on spatial distributions of residence times in Palma Bay for different dates. The colorbars give the residence times in days. a) and b) correspond to two different days in October, and c) and d) in July. In Fig. 7 we color the initial positions of particles in the Bay attending to the time they transit through the Bay ($RT=t_{f}+t_{b}$) for different days. Initial positions of particles with short residence times are indicated in blue in Fig. 7. Regions from where particles have longer residence time (i.e. take more time between entry and escape) are marked in red/brown. These maps show that the spatial distribution of residence times of particles can be complex and time depending, presenting different patterns at different times. A number of small structures can be observed, including thin filaments or small lobes. Comparing both months, one can see differences in the RT distributions. The most noticeable is the approximate east-west alignment of the zones of similar RT in July, which is not seen in October. Also, in October the values of residence times of the particles are smaller, in agreement with the global rate estimations showed before. A common feature is the southwest region with low values of residence times, because in this region there are not coastal boundaries and it is totally open to the ocean. Figure 8: Spatial distributions of time averages of 60 snapshots of 6-hourly RT values collected over 15 days in Palma Bay for a) October and b) July. The colorbar units are $days$. In order to reveal regions with different persistent transport properties we compute time averages of the spatial distributions of residence times. We average 6-hourly snapshots of RT during 15 days (i.e. 60 snapshots) for each month. The results, plotted in Fig. 8 a) and b), show the common features that, in general, the low values of RT are for particles initiated close to the open ocean, specially in the southwest part, and high values are for particles started near the coast, as expected. However, on average, the residence time is larger in July than in October (3.25 days in July and 1.51 days in October) consistent with the behavior of the corresponding values of $\tau_{e}$. Also, in July there is a clear boundary between the interior of the Bay to the north, with large average residence times and the open sea to the south, whereas the boundary between high and low residence times in October is well inside the Bay, aligned with the Lagrangian structure identified from the FSLE analysis, as will be discussed in the next section. Another feature observed in movies of particle trajectories (not shown) is that in October fluid particles tend to circulate mostly clockwise, while in July they are oscillating along the zonal direction (see Section IV). This difference, arising as discussed in Sect. IV from the different regimes of wind forcing, is likely to be responsible for most of the different behavior between both months. ### V.4 Relation between LCSs and RTs Figure 9: Snapshots of top values of FSLE (greater than $0.5days^{-1}$) plotted over residence times. a) is for backward integration in time, and b) is for forward integration. Both plots correspond to October 19th at 00:00h (GMT) The colorbar units are $days$. We now examine the connection between regions of different residence times with LCSs. To compare RT and FSLE we have superimposed in Fig. 7 the filaments of high values of forward (white) and backward FSLE (black) values on the spatial distribution of residence times. The Figure shows a good correspondence between many structures of RT and FSLE. Note that RT is the sum of a forward and a backward exit time, so that some of the strong gradients of RT will correspond to forward and some others to backwards LCSs. Fig 9 shows clearer the correspondence between FSLE backwards in time with entry times, and FSLE forward with escape times. At least in October, the LCSs given by high values of FSLE clearly separate regions with different values of residence times, confirming the value of the FSLE technique to identify boundaries between different flow regions and barriers to transport. There are however some lines of FSLE that are not associated to gradients of RT, and viceversa. For the first this happens mainly because we only integrate 5 days backward and 5 days forward in time, and the time assigned to the particles that not cross the open-ocean boundary in the 5 days of integration corresponds to the maximum time integration (5 days). This makes the spatial distribution of the residence time more homogeneous. We need to integrate the trajectories longer to unveil more areas with different RT. In the same way not all abrupt changes in RT are captured by FSLE lines since we only plot the highest ridges. This illustrates that both techniques have limitations and that the complementary use of both could give a rather complete overview of the geometric structure of flow in marine areas. Pattantyús-Ábrahám et al. (2008) studied the relation between residence time and FSLE for a wind-forced hydrodynamical model of a shallow lake. They found that areas with long residence time visualize the stable manifolds of the so-called chaotic saddle, a structure controlling the escape properties at long times. In our case, our integrations are restricted to times too short to characterize long-time chaotic behavior, but still there is a good correspondence between the FSLE structures characterizing attracting or repelling trajectories, and escape or residence times. Fig. 8 a) shows a time average over October of the spatial distribution of RT, to be compared with the corresponding average figure (Fig. 4 a) for FSLE. It is evident that the region in the north and east side of the Bay with high values of RT is separated from the rest by a region of high values of FSLE. This can be explained by the presence of persistent barriers which do not allow particles to escape from the northeast side of the Bay, and thus separating the Bay in regions with different residence times. In July the situation is different, because the spatial distribution of FSLE (Fig.4 b) and RT (Fig. 8 b) is almost homogeneous, with higher values over the whole area of the Bay, and lower values in the small region bordering the open ocean. This indicates that the instantaneous configurations of high FSLE lines (Fig. 7) are not persistent, and that only there is a persistent large difference between the interior of the Bay and its opening to the ocean. The predominantly zonal direction of particle motion in the Bay is consistent with the orientation of the boundaries between areas of different RTs in July. ### V.5 Variability of RT and FSLE The differences of residence times and FSLEs in the two considered months indicate that the dynamics of the flow is qualitatively different, as anticipated by the different wind regimes that are the main drivers of the Bay. Now we analyze the time evolution of their spatial averages. Figure 10: a) Time series throughout October of the spatial average of residence times (top) and spatial average of FSLE (bottom) for the surface layer of Palma Bay. b) the same that a) but for July. Figures 10 a) and b) show the time series of the spatial mean of residence times (top panel) and backward FSLE (bottom panel) for October and July, respectively. Comparison between time evolution of spatial average of the RT for the different months confirms, again, that particles tend to stay longer times in the Bay during July than in October. The values of RT vary approximately from 0.25 days to 3 days in October (Fig. 10 a, top), and from 2 days to 6 days in July (Fig. 10 b, top). The same happens with FSLE, higher values correspond to July and lower ones to October. Diurnal fluctuations, likely related to the effect of the sea breeze, are evident in RT and FSLE for both months. In October there are some large fluctuations of low frequency in RT, probably induced by the variability of remote forcing winds. On the other hand, during October, minima of RT correspond to maxima of FSLE, and maxima of RT correspond to minima of FSLE. In July, the relationship between FSLE and RT is looser and only observed in the high-frequency fluctuations. To be more quantitative, Pearson correlation coefficient between RT and FSLE time series is -0.526 in October, but just -0.223 in July. This difference in behavior probably arises from the fact that high values of FSLE determine clear and well-defined barriers to transport only in the case of October (see Sect. V.3 and V.4). In July lines of high FSLE remain nearly zonal and parallel to dominant particle direction of motion. Thus, as commented in Sect. V.2, they probably represent regions of high zonal shear everywhere in the Bay. Their high or low values indicate large or small differences in East-West velocities but by themselves they do not imply stronger or weaker escape towards the South. Figure 11: a) Snapshot of spatial distributions of residence times at the bottom layer in Palma Bay corresponding to July 17, 2009 at 18:00h (GMT). Lines are the locations of top values of FSLE (greater than $0.3days^{-1}$). Backward FSLE lines are colored in black and forward FSLEs in white. b) spatial distribution of time average of 60 snapshots of 6-hourly maps of RT collected over 15 days in July at the bottom layer. ### V.6 Transport at the bottom layer In this subsection we compare the main Lagrangian characteristics at the bottom layer, not driven directly by wind, with those at the surface. In Fig. 11 a) we show an instantaneous map of the residence times in the bottom layer one day of July, overlayed with lines of high FSLE values. Again, the spatial distribution is inhomogeneous, and we find high values of RT over all the Bay except very close to the ocean. The correlation of RT values with FSLE lines is weaker than in the upper layer, but still we see that the relatively lower values of RT in the western part of the Bay at that particular day appear bounded by backwards FSLE lines, indicating a temporal escape route of particles in that region towards the southwest. The spatial distribution of the time average of RT plotted in Fig. 11 b) shows that highest average values of RT are concentrated in the northwestern region of the Bay. Fig. 4 c) displays high values of FSLE located precisely in the same region where the RT qualitatively change to high values. This suggests the presence of persistent barriers that separate this southeastern region from the rest in this bottom layer. The formation of these persistent LCSs is associated to the gradient of the bathymetry (see Fig. 1). The time evolution of the spatial average of RT and FSLE are plotted in top and bottom panel of Fig. 12 respectively. Contrarily to the surface, in the bottom layer the diurnal fluctuations in the time series of RT disappear, showing that the flow at this depth is not directly influenced by breeze. The RT values are larger than in the surface, and therefore the interchange between the ocean and the Bay is less intense at bottom layers. This is a consequence of the slowness of the flow produced by the absence of direct wind forcing at deepest levels. There is a strong negative correlation ($r=-0.803$) between stirring and residence times: when the flow is more dispersive the particles transit during less time over the Bay, so that maxima of RT correspond to minima of FSLE and vice-versa. Figure 12: Time series throughout July of (top) spatial average of residence times and (bottom) spatial average of FSLE computed for the bottom layer. ## VI Conclusions Properties of coastal transport in the Bay of Palma, which is a small semi- enclosed region of the Island of Mallorca, were studied in a Lagrangian framework, by using model velocity data at high resolution. We have applied two complementary Lagrangian methods (FSLEs and RT) to analyze the small scales of these coastal currents. LCSs have been detected as high ridges of FSLE, and virtual experiments with particle trajectories have shown that these structures really act as barriers in most cases, organizing the coastal flow. Global and average aspects of the transport in different seasonal months show that, in the period studied, in autumn there is more exchange between the Bay and the open ocean than in summer. This arises from the different wind regimes in both months, that during July induce a flow that restricts motion of the coastal marine surface to the zonal direction, preventing the flow to enter or escape toward the open ocean. The transport of particles at the deepest layer is less active than at the surface and not directly driven by wind, but influenced by the bottom topography. Regions with different values of RT are generally separated by ridges of FSLE, proving the fact that FSLE separate regions of qualitatively different dynamics also in small coastal regions. Thus, we think that these Lagrangian quantities can be used as key variables able to determine the dynamics and health of other bays or estuaries, particularly in relation with human activities. Future improvements include the adaptation of these methods to three-dimensional spaces and capture three- dimensional effects, such as upwelling and downwelling in coastal areas, and analyzing longer periods of time. ## Acknowledgments I.H-C, C.L and E.H-G acknowledge support from MICINN and FEDER through projects FISICOS (FIS2007-60327), INTENSE@COSYP (FIS2012-30634), and ESCOLA (CTM2012-39025-C02-01). AO acknowledges financial support from MICINN and EU- Med Programme through projects BUS2 (CGL2011-22964) and TOSCA (2GMED-09-425). We acknowledge the ICMAT Severo Ochoa project (SEV-2011-0087) for the funding of the publication charges of this article. ## References * Antonov et al. (2006) Antonov, J. I., Locarnini, R. A., Boyer, T. P., Mishonov, A. V., and Garcia, H. E.: World Ocean Atlas 2005, Volume 2: Salinity. S. Levitus, Ed. NOAA Atlas NESDIS 62, U.S. Government Printing Office, Washington, D.C, 2006. * Aurell et al. 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arxiv-papers
2013-04-16T10:17:47
2024-09-04T02:49:44.455943
{ "license": "Public Domain", "authors": "Ismael Hern\\'andez-Carrasco and Crist\\'obal L\\'opez and Alejandro\n Orfila and Emilio Hern\\'andez-Garc\\'ia", "submitter": "Ismael Hernandez-Carrasco", "url": "https://arxiv.org/abs/1304.4387" }
1304.4455
# The gravitational wave signal from isolated objects Jinzhong Liu 1 Yu Zhang 1 1National Astronomical Observatory/Xinjiang Observatory, Chinese Academy of Sciences, 150 Science 1-Street, Urumqi, Xinjiang 830011, China email: [email protected] (2012) ###### Abstract According to the theoretical study, a deformation object (e.g., a spinning non-axisymmetric pulsar star) will radiate a gravitational wave (GW) signal during an accelaration motion process by LIGO science project. These types of disturbance sources with a large bump or dimple on the equator would survive and be identifiable as GW sources. In this work, we aim to provide a method for exploring GW radiation from isolated neutron stars (NSs) with deformation state using some observational results, which can be confirmed by the next LIGO project. Combination with the properties in observation results (e.g., PSR J1748-2446, PSR 1828-11 and Cygnus X-1), based on a binary population synthesis (BPS) approach we give a numerical GW radiation under the assumption that NS should have non-axisymmetric and give the results of energy spectrum. We find that the GW luminosity of $L_{GW}$ can be changed from about $10^{40}\rm erg/s$– $10^{55}\rm erg/s$. ###### keywords: gravitational waves, neutron star, evolution. ††volume: 290††journal: Feeding compact objects: Accretion on all scales††editors: C.M. Zhang, T. Belloni, M. Méndez & S.N. Zhang, eds. ## 1 Introduction In Einstein s theory of general relativity, gravitational wave (GW) is considered as a phenomenon resulting from a space perturbation of the metric traveling at the speed of light, and the observation of the binary pulsar PSR 1913+16 has given an indirect evidence of GW radiation (e.g. Hulse &Taylor 1975). Nowadays, these ripples in space-time due to GW have still not been directly observed on the ground detectors. The various frequency ranges of the GW detectors can respectively fix different GW sources (Jaffe & Backer 2003; Belczynski, Kalogera & Bulik 2002; Liu 2009; Liu et al. 2010A; Liu et al. 2010B; Liu et al. 2012). Here, we focus on the other, much less studied groups of isolated neutron stars due to asymmetric mechanism, which can be divided into two groups according to the difference of GW radiation: I) the intrinsic asymmetry of NSs, II) the relative motion of the asymmetric part of NSs (e.g., Papaloizou & Pringle 1978 ). In this work, we aim to explore the GW radiation from group I. The three formation mechanisms in group I can be summarized as follows: i) a rotating NS with asymmetrical ellipsoid. (e.g., Hessels et al. 2006); ii) a oblique-dipole-rotator model (e.g., PRS1828-11); iii) the mass deformations due to an eccentricity in the equatorial plane of NS (the typical example is the low-mass X ray binaries: Cygnus X-1). The purpose of this poster is to study the GW radiation from an isolated object with asymmetric structure. ## 2 Computations The GW luminosity $L_{GW}$ and dimensionless strain h of a rigidity object with rotating process are predicted by Press & Thore (1972). The description of our physics parameters and assumptions are as follows: (I) In the single- star evolution code, we trace back to the formation of a NS from the zero-age main sequence to remnant stages. (II) We give the fitting curves of physical properties according to the NS dynamic structure model and equation of state in left panel of Fig. 1.(III) For the eccentricity e, we obtain it from uniform distribution in the range $10^{-3}$ to $10^{-11}$.(IV)We present a Gaussian distribution of D from the GW sources to the earth in the Galaxy. In order to compare with observation, we download 109 NSs with rotation period less than 0.05s from the website (http://www.atnf.csiro.au/research/pulsar/psrcat/). In middle panel of Fig. 1, we give the distribution of the rotation period between our model results and observations. Figure 1: Left:The fitting physical property curves of NS; Middle:The distribution of rotation period; Right:The spectral energy distribution of rapid rotating NS. ## 3 Results and Discussion In general, the total energy ($Mc^{2}$) of NS is about $10^{54}$erg, the rotation energy is $~{}10^{53}$ erg. Therefore, for the e$>10^{-5}$, the most energy of NS can be radiation as GW signal during several years. All these calculations of isolated objects can examine that these sources are expected to be a type of GW sources. In our model, the influence parameter $\xi$ of eccentricity can be changed to the influence of mass, which is $~{}2.8\times 10^{-4}<\xi<8.9\times 10^{-9}$, corresponding to the value of strain amplitude $0.8\times 10^{-24}<h<10^{-32}$. Our prediction agrees with that of Crab nebula and Virgo cluster ($10^{-24}-10^{-25}$). Meanwhile, the right panel of Fig. 1 gives the spectral energy distribution of rapid rotating NS and implies that the GW luminosity of $L_{GW}$ can be changed from about $10^{40}\rm erg/s$– $10^{55}\rm erg/s$. ###### Acknowledgements. This work is supported by the program of the light in China’s Western Region (LCWR) (No. XBBS201022), Natural Science Foundation (No. 11103054) and Xinjiang Natural Science Foundation (No. 2011211A104). This project/publication was made through the support of a grant from the John Templeton Foundation and National Astronomical Observatories, Chinese Academy of Sciences (No. 100020101). ## References * [] Belczynski K., Kalogera V., Bulik T., 2002, ApJ, 572, 407 * [] Hessels, J. W. T., et al. 2006, Science, 311, 1901 * [] Hulse R. A., Taylor J. H., 1975, ApJ, 195, L51 * [] Jaffe A. H., Backer D. C., 2003, ApJ, 583, 616 * [] Liu J. Z., 2009, MNRAS, 400, 1850 * [] Liu J. Z. et al. 2010a, ApJ, 719, 1546 * [] Liu J. Z. et al. 2010b, Ap&SS, 329, 297 * [] Liu J. Z. et al. 2012, A&A, 540, 67 * [] Papaloizou, J. & Pringle J.E. 1978, MNRAS, 182, 423 * [] Press W. H., & Thorne, K. S. ARAA, 1972, 10, 335
arxiv-papers
2013-04-16T14:12:42
2024-09-04T02:49:44.463588
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jinzhong Liu and Yu Zhang", "submitter": "Zhang Yu", "url": "https://arxiv.org/abs/1304.4455" }
1304.4500
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-063 LHCb-PAPER-2013-015 April 16, 2013 Measurement of the effective $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ lifetime The LHCb collaboration†††Authors are listed on the following pages. This paper reports the first measurement of the effective $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ lifetime and an updated measurement of its time-integrated branching fraction. Both measurements are performed with a data sample, corresponding to an integrated luminosity of 1.0 $\mbox{\,fb}^{-1}$ of $pp$ collisions, recorded by the LHCb experiment in 2011 at a centre-of-mass energy of $7\>\mathrm{\,Te\kern-1.00006ptV}$. The results are: $\tau_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}^{\text{eff}}=1.75\pm 0.12\>(\text{stat})\pm 0.07\>(\text{syst})\>\text{ps}$ and ${\cal B}(B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S})=(1.97\pm 0.23)\times 10^{-5}$. For the latter measurement, the uncertainty includes both statistical and systematic sources. Published in Nucl. Phys. B © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen56, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 34, M. Artuso57, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso58, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani44, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk57, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia57, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton57, N.H. Brook45, H. Brown51, I. Burducea28, A. Bursche39, G. Busetto21,q, J. Buytaert37, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez35,n, A. Camboni35, P. Campana18,37, D. Campora Perez37, A. Carbone14,c, G. Carboni23,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia49, L. Carson52, K. Carvalho Akiba2, G. Casse51, L. Castillo Garcia37, M. Cattaneo37, Ch. Cauet9, M. Charles54, Ph. Charpentier37, P. Chen3,38, N. Chiapolini39, M. Chrzaszcz 25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco40, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15,37, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, B. Couturier37, G.A. Cowan49, D.C. Craik47, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, P. David8, P.N.Y. David40, A. Davis56, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian39, J.M. De Miranda1, L. De Paula2, W. De Silva56, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, N. Déléage4, D. Derkach14, O. Deschamps5, F. Dettori41, A. Di Canto11, F. Di Ruscio23,k, H. Dijkstra37, M. Dogaru28, S. Donleavy51, F. Dordei11, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, R. Dzhelyadin34, A. Dziurda25, A. Dzyuba29, S. Easo48,37, U. Egede52, V. Egorychev30, S. Eidelman33, D. van Eijk40, S. Eisenhardt49, U. 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Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57Syracuse University, Syracuse, NY, United States 58Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 59Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ## 1 Introduction In the Standard Model (SM), $C\\!P$ violation arises through a single phase in the CKM quark mixing matrix [1, *Cabibbo:1963yz]. In decays of neutral $B$ mesons ($B$ stands for a $B^{0}$ or $B^{0}_{s}$ meson) to a final state accessible to both $B$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}$, the interference between the amplitude for the direct decay and the amplitude for decay via oscillation leads to time-dependent $C\\!P$ violation. A measurement of the time-dependent $C\\!P$ asymmetry in the $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ mode allows for a determination of the $B^{0}$–$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ mixing phase $\phi_{d}$. In the SM it is equal to $2\beta$ [3], where $\beta$ is one of the angles of the unitarity triangle in the quark mixing matrix. This phase has already been well measured by the $B$ factories [4, 5], but further improvements are still necessary to conclusively resolve possible small tensions with the other measurements constraining the unitarity triangle [6, *Charles:2004jd]. The latest average composed by the Heavy Flavour Averaging Group (HFAG) is $\sin\phi_{d}=0.682\pm 0.019$ [8]. To achieve precision below the percent level, knowledge of the doubly Cabibbo-suppressed higher order perturbative corrections, originating from penguin topologies, becomes mandatory. These contributions are difficult to calculate reliably and therefore need to be determined directly from experimentally accessible observables. From a theoretical perspective, the $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ mode is the most promising candidate for this task. It is related to the $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ mode through the interchange of all $d$ and $s$ quarks ($U$-spin symmetry, a subgroup of $SU(3)$) [9], leading to a one-to-one correspondence between all decay topologies of these two modes, as illustrated in Fig. 1. Moreover, the $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ penguin topologies are not CKM suppressed relative to the tree diagram, as is the case for their $B^{0}$ counterparts. A further discussion regarding the theory of this decay and its potential use in LHCb is given in Ref. [10, *DeBruyn:2010ge]. To determine the parameters related to the penguin contributions in these decays, a time-dependent $C\\!P$ violation study of the $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ mode is required. The determination of its branching fraction, previously measured by CDF [12] and LHCb [13], was an important first step, allowing a test of the $U$-spin symmetry assumption that lies at the basis of the proposed approach. The second step towards the time-dependent $C\\!P$ violation study is the measurement of the effective $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ lifetime, formally defined as [14] $\tau_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}^{\text{eff}}\equiv\frac{\int_{0}^{\infty}t\>\langle\Gamma(B_{s}(t)\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S})\rangle\>\mathrm{d}t}{\int_{0}^{\infty}\langle\Gamma(B_{s}(t)\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S})\rangle\>\mathrm{d}t}\>,$ (1) where $\displaystyle\langle\Gamma(B_{s}(t)\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S})\rangle$ $\displaystyle=$ $\displaystyle\Gamma(B^{0}_{s}(t)\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S})+\Gamma(\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}(t)\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S})$ (2) $\displaystyle=$ $\displaystyle R_{\mathrm{H}}e^{-\Gamma_{\mathrm{H}}t}+R_{\mathrm{L}}e^{-\Gamma_{\mathrm{L}}t}$ (3) is the untagged decay time distribution, under the assumption that $C\\!P$ violation in $B^{0}_{s}$–$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mixing can be neglected [8]. Due to the non-zero decay width difference $\Delta\Gamma_{s}\equiv\Gamma_{\mathrm{H}}-\Gamma_{\mathrm{L}}=0.106\pm 0.013\>\text{ps}^{-1}$ [15] between the heavy and light $B^{0}_{s}$ mass eigenstates, the effective lifetime does not coincide with the $B^{0}_{s}$ lifetime $\tau_{B^{0}_{s}}\equiv 1/\Gamma_{s}=1.513\pm 0.011\>\text{ps}$ [15], where $\Gamma_{s}=(\Gamma_{\mathrm{H}}+\Gamma_{\mathrm{L}})/2$ is the average $B^{0}_{s}$ decay width. Instead, it depends on the decay mode specific relative contributions $R_{\mathrm{H}}$ and $R_{\mathrm{L}}$. These two parameters also define the $C\\!P$ observable $\mathcal{A}_{\Delta\Gamma_{s}}\equiv\frac{R_{\mathrm{H}}-R_{\mathrm{L}}}{R_{\mathrm{H}}+R_{\mathrm{L}}}\>,$ (4) which allows the effective lifetime to be expressed as [14] $\tau_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}^{\text{eff}}=\frac{\tau_{B^{0}_{s}}}{1-y_{s}^{2}}\frac{1+2\>\mathcal{A}_{\Delta\Gamma_{s}}y_{s}+y_{s}^{2}}{1+\mathcal{A}_{\Delta\Gamma_{s}}y_{s}}\>,$ (5) where $y_{s}\equiv\Delta\Gamma_{s}/2\Gamma_{s}$ is the normalised decay width difference. For the $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ mode, the value of $\mathcal{A}_{\Delta\Gamma_{s}}$ depends on the penguin contributions, and in particular on their relative weak phase $\phi_{s}$ [9]. Using the latest estimates on the size of the $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ penguin contributions [16] gives $\mathcal{A}_{\Delta\Gamma_{s}}=0.944\pm 0.066$ and the SM prediction $\tau_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}^{\text{eff}}\Big{|}_{\text{SM}}=1.639\pm 0.022\>\text{ps}\>.$ (6) Effective lifetime measurements have been performed for the $B^{0}_{s}$ $\rightarrow$ $K^{+}$$K^{-}$ [17] and $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$f_{0}(980)$ [18] decay modes. Figure 1: Decay topologies contributing to the $B_{d(s)}$$\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ channel: (left) tree diagram and (right) penguin diagram. This paper presents the first measurement of the effective $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ lifetime, as well as an update of the time-integrated branching fraction measurement in Ref. [13], performed with a data sample, corresponding to an integrated luminosity of $1.0\>\mbox{\,fb}^{-1}$ of $pp$ collisions, recorded at a centre-of-mass energy of $7\>\mathrm{\,Te\kern-1.00006ptV}$ by the LHCb experiment in 2011. The LHCb detector [19] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system has momentum resolution $\Delta p/p$ that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter resolution of 20$\,\upmu\rm m$ for tracks with high transverse momentum ($p_{\rm T}$) with respect to the beam direction. Charged hadrons are identified using two ring- imaging Cherenkov detectors [20]. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. Events are selected by a trigger system [21] consisting of a hardware trigger, which requires muon or hadron candidates with high $p_{\rm T}$, followed by a two-stage software trigger. In the first stage a partial event reconstruction is performed. For this analysis, events are required to have either two oppositely charged muons with combined mass above $2.7\>{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$, or at least one muon or one high-$p_{\rm T}$ track ($\mbox{$p_{\rm T}$}>1.8\>{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$) with a large impact parameter with respect to all $pp$ interaction vertices (PVs). In the second stage a full event reconstruction is performed and only events containing ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ $\rightarrow$ $\mu^{+}$$\mu^{-}$ candidates are retained. The signal simulation samples used for this analysis are generated using Pythia 6.4 [22] with a specific LHCb configuration [23]. Decays of hadronic particles are described by EvtGen [24] in which final state radiation is generated using Photos [25]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [26, *Agostinelli:2002hh] as described in Ref. [28]. ## 2 Data samples and initial selection Candidate $B$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ decays are reconstructed in the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ $\rightarrow$ $\mu^{+}\mu^{-}$ and $K^{0}_{\rm\scriptscriptstyle S}$ $\rightarrow$ $\pi^{+}\pi^{-}$ final state. Candidate ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ $\rightarrow$ $\mu^{+}\mu^{-}$ decays are required to form a good quality vertex and have a mass in the range $[3030,3150]\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. This interval corresponds to about eight times the $\mu^{+}\mu^{-}$ mass resolution at the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mass and covers part of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ radiative tail. The selected ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ candidate is required to satisfy the trigger decision at both software trigger stages. The $K^{0}_{\rm\scriptscriptstyle S}$ selection requires two oppositely charged particles reconstructed in the tracking stations placed on either side of the magnet, both with hits in the vertex detector (‘long $K^{0}_{\rm\scriptscriptstyle S}$’ candidate) or without (‘downstream $K^{0}_{\rm\scriptscriptstyle S}$’ candidate). The long (downstream) $K^{0}_{\rm\scriptscriptstyle S}$ $\rightarrow$ $\pi^{+}\pi^{-}$ candidates are required to form a good quality vertex and have a mass within $35\>(64)\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the known $K^{0}_{\rm\scriptscriptstyle S}$ mass [29]. Moreover, to remove contamination from $\mathchar 28931\relax$ $\rightarrow$ $p$$\pi^{-}$ decays, the reconstructed $p$$\pi^{-}$ mass of the long (downstream) $K^{0}_{\rm\scriptscriptstyle S}$ candidates is required to be more than $6\>(10)\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ away from the known $\mathchar 28931\relax$ mass [29]. Furthermore, the $K^{0}_{\rm\scriptscriptstyle S}$ candidates are required to have a flight distance that is at least five times larger than its uncertainty. Candidate $B$ mesons are selected from combinations of ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $K^{0}_{\rm\scriptscriptstyle S}$ candidates with mass $m_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{0}_{\rm\scriptscriptstyle S}}$ in the range $[5180,5520]\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The reconstructed mass and decay time are obtained from a kinematic fit [30] that constrains the masses of the $\mu^{+}\mu^{-}$ and $\pi^{+}\pi^{-}$ pairs to the known ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $K^{0}_{\rm\scriptscriptstyle S}$ masses [29], respectively, and constrains the $B$ candidate to originate from the PV. In case the event has multiple PVs, all combinations are considered. The $\chi^{2}$ of the fit, which has eight degrees of freedom, is required to be less than $72$ and the estimated uncertainty on the $B$ mass must not exceed $30\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. Candidates are required to have a decay time larger than $0.2\>{\rm\,ps}$. To remove misreconstructed $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{*0}$ background that survives the requirement on the $K^{0}_{\rm\scriptscriptstyle S}$ flight distance, the mass of the long $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ candidates computed under the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{\pm}$$\pi^{\mp}$ mass hypotheses must not be within $20\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the known $B^{0}$ mass [29]. ## 3 Multivariate selection The loose selection described above does not suppress the combinatorial background sufficiently to isolate the small $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ signal. The initial selection is therefore followed by a multivariate analysis, based on a neural network (NN) [31]. The NN classifier’s output is used as the final selection variable. The NN is trained entirely on data, using the $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ signal as a proxy for the $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ decay. The training sample is taken from the mass windows $[5180,5340]\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ and $[5390,5520]\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, thus avoiding the $B^{0}_{s}$ signal region. A normalisation sample consisting of one quarter of the candidates, selected at random, is left out of the NN training to allow an unbiased measurement of the $B^{0}$ yield. The signal and background weights are determined using the _sPlot_ technique [32] and obtained by performing an unbinned maximum likelihood fit to the mass distribution of the candidates surviving the loose selection criteria. The fitted probability density function (PDF) is defined as the sum of a $B^{0}$ signal component and a combinatorial background. The parametrisation of the individual components is described in more detail in the next section. Due to the differences in the distributions of the input variables of the NN, as well as the different initial signal to background ratio, the multivariate selection is performed separately for the $B$ candidate samples containing long and downstream $K^{0}_{\rm\scriptscriptstyle S}$ candidates. In the remainder of this paper, these two datasets will be referred to as the long and downstream $K^{0}_{\rm\scriptscriptstyle S}$ sample, respectively. The NN classifiers use information about the candidate kinematics, vertex and track quality, impact parameter, particle identification information from the RICH and muon detectors, as well as global event properties like track and interaction vertex multiplicities. The variables that are used in the NN are chosen to avoid correlations with the reconstructed $B$ mass. Final selection requirements on the NN classifier outputs are chosen to optimise the expected sensitivity to the $B^{0}_{s}$ signal observation. The expected signal and background yields entering the calculation of the figure of merit [33] are obtained from the normalisation sample by scaling the number of fitted $B^{0}$ candidates, and by counting the number of events in the mass ranges $[5180,5240]\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ and $[5400,5520]\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, respectively. After applying the final requirement on the NN classifier output associated with the long (downstream) $K^{0}_{\rm\scriptscriptstyle S}$ sample, the multivariate selection rejects, relative to the initial selection, 98.7% (99.6%) of the background while keeping 71.5% (50.2%) of the $B^{0}$ signal. Due to the worse initial signal to background ratio, the final requirement on the NN classifier output is much tighter in the downstream $K^{0}_{\rm\scriptscriptstyle S}$ sample than in the long $K^{0}_{\rm\scriptscriptstyle S}$ sample. After applying the full selection, the $B$ candidate can still be associated with more than one PV in about 1% of the events. Likewise, about $0.1\%$ of the selected events have several candidates sharing one or more tracks. In these cases, respectively one of the surviving PVs and one of the candidates is used at random. ## 4 Event yields Long $K^{0}_{\rm\scriptscriptstyle S}$ Downstream $K^{0}_{\rm\scriptscriptstyle S}$ Figure 2: Fitted $B$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ candidate mass distributions and their associated residual uncertainties (pulls) for the (left) long and (right) downstream $K^{0}_{\rm\scriptscriptstyle S}$ samples, after applying the final requirement on the NN classifier outputs. For the candidates passing the NN requirements, the ratio of $B^{0}_{s}$ and $B^{0}$ yields is determined from an unbinned maximum likelihood fit to the mass distribution of the reconstructed $B$ candidates. The fitted PDF is defined as the sum of a $B^{0}$ signal component, a $B^{0}_{s}$ signal component and a combinatorial background. The $B^{0}_{s}$ component is constrained to have the same shape as the $B^{0}$ PDF, shifted by the known $B^{0}_{s}$–$B^{0}$ mass difference [34]. The mass lineshapes of the $B$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ modes in both data and simulation exhibit non-Gaussian tails on both sides of their signal peaks due to final state radiation, the detector resolution and its dependence on the decay angles. Each individual signal shape is parametrised by a double-sided Crystal Ball (CB) function [35]. The parameters describing the CB tails are taken from simulation; all other parameters are allowed to vary in the fit. The background contribution is described by an exponential function. The results of the fits are shown in Fig. 2, and the fitted yields are listed in Table 1. The $B^{0}$ yield is determined in the normalisation sample and scaled to the full sample, whereas the $B^{0}_{s}$ yield is obtained directly from the full sample. The scaled $B^{0}$ yield, obtained from the unbiased sample, differs from the corresponding fit result in the full sample by $-211\pm 211$ events for the long $K^{0}_{\rm\scriptscriptstyle S}$ sample and by $213\pm 273$ events for the downstream $K^{0}_{\rm\scriptscriptstyle S}$ sample. Both results are in good agreement, showing that the NN is not overtrained. The yield ratios obtained from the long and downstream $K^{0}_{\rm\scriptscriptstyle S}$ samples are compatible with each other and are combined using a weighted average. Table 1: Signal yields from the unbinned maximum likelihood fits to the $B$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ candidate mass distributions. The uncertainties are statistical only. The yield ratio is calculated from the quantities highlighted in boldface, where the fitted $B^{0}$ yield is first multiplied by a factor of four. Sample | Yield | Long $K^{0}_{\rm\scriptscriptstyle S}$ | Downstream $K^{0}_{\rm\scriptscriptstyle S}$ ---|---|---|--- Normalisation | $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ | $\textbf{2205}\ \pm\ \textbf{47}$ | $\textbf{3651}\ \pm\ \textbf{61}$ $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ | $21\ \pm\ 5$ | $49\ \pm\ 8$ Background | $56\ \pm\ 11$ | $110\ \pm\ 16$ Full | $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ | $9031\ \pm\ 96$ | $\text{14,391}\ \pm\ 122$ $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ | $\textbf{115}\ \pm\ \textbf{12}$ | $\textbf{158}\ \pm\ \textbf{15}$ Background | $287\ \pm\ 23$ | $490\ \pm\ 32$ Yield ratio $R\equiv N_{B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}^{\text{Full}}/4N_{B^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}^{\text{Norm}}$ | $0.0131\ \pm\ 0.0014$ | $0.0108\ \pm\ 0.0010$ Average yield ratio $R$ | $0.0116\pm 0.0008$ ## 5 Decay time distribution Following the procedure explained in Ref. [36], the effective $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ lifetime is determined by fitting a single exponential function $g(t)\propto\exp(-t/\tau_{\text{single}})$ to the decay time distribution of the $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ signal candidates. In this analysis, the exponential shape parameter $\tau_{\text{single}}$ is determined from a two-dimensional unbinned maximum likelihood fit to the mass and decay time distribution of the reconstructed $B$ candidates. The fitted PDF is again defined as the sum of a $B^{0}$ signal component, a $B^{0}_{s}$ signal component and a combinatorial background. The freely varying parameters in the fit are the signal and background yields, and the parameters describing the acceptance, mass and background decay time distributions. The decay time distribution of each of the two signal components needs to be corrected with a decay time resolution and acceptance model to account for detector effects. The shape of the acceptance function affecting the $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ mode is, like the lineshape of its mass distribution, assumed to be identical to that of the $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ component. The acceptance function is obtained directly from the data using the $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ mode. Contrary to the $B^{0}_{s}$ system, the $B^{0}$ system has a negligible decay width difference $\Delta\Gamma_{d}$ [29]. The decay time distribution of the $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ channel is therefore fully described by a single exponential function with known lifetime $\tau_{B^{0}}=1.519\>\text{ps}$ [8]. Hence, fixing the $B^{0}$ lifetime to its known value allows the acceptance parameters to be determined from the fit. From simulation studies it is found that the decay time acceptance of both signal components is well modelled by the function $f_{\text{Acc}}\>(t)=\frac{1+\beta\>t}{1+(\lambda\>t)^{-\kappa}}\>.$ (7) The parameter $\beta$ describes the fall in the acceptance at large decay times [15]. The parameters $\kappa$ and $\lambda$ model the turn-on curve, caused by the use of decay time biasing triggers, the initial selection requirements and, most importantly, the NN classifier outputs. The decay time resolution for the signal and background components is determined from candidates that have an unphysical, negative decay time. Due to the requirement of $0.2\>\text{${\rm\,ps}$}$ on the decay time of the $B$ candidates applied in the initial selection, such events are not present in the analysed data sample. Instead, a second sample, that is prescaled and does not have the decay time requirement, is used. This sample consists primarily of ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ mesons produced at the PV which are combined with a random $K^{0}_{\rm\scriptscriptstyle S}$ candidate. The decay time distribution for these events is a good measure of the decay time resolution and is modelled by the sum of three Gaussian functions sharing a common mean. Two of the Gaussian functions parametrise the inner core of the resolution function, while the third describes the small fraction of outliers. Long $K^{0}_{\rm\scriptscriptstyle S}$ Downstream $K^{0}_{\rm\scriptscriptstyle S}$ Figure 3: Fitted $B$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ candidate decay time distributions and their associated residual uncertainties (pulls) for the (left) long and (right) downstream $K^{0}_{\rm\scriptscriptstyle S}$ samples, after applying the final requirement on the NN classifier outputs. Long $K^{0}_{\rm\scriptscriptstyle S}$ Downstream $K^{0}_{\rm\scriptscriptstyle S}$ Figure 4: Fitted $B$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ candidate decay time distributions and their associated residual uncertainties (pulls) for the (left) long and (right) downstream $K^{0}_{\rm\scriptscriptstyle S}$ candidates in the $B^{0}_{s}$ signal region $m_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}\in[5340,5390]\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, after applying the final requirement on the NN classifier outputs. The background decay time distributions are studied directly using the data. Their shape is obtained from background candidates that are isolated using the background weights determined by the _sPlot_ technique, and cross-checked using the high mass sideband. The exact values of the shape parameters are determined in the nominal fit. Because of the differences induced by the multivariate selection, the background decay time distribution of the long and downstream $K^{0}_{\rm\scriptscriptstyle S}$ samples cannot be parametrised using the same background model. For the long $K^{0}_{\rm\scriptscriptstyle S}$ sample, the background is modelled by two exponential functions, describing a short-lived and a long-lived component, respectively. In the downstream $K^{0}_{\rm\scriptscriptstyle S}$ sample such a short-lived component is not present due to the tighter requirement on the NN classifier output. Its decay time distribution is better described by a single exponential shape corrected by the acceptance function in Eq. (7) with independent parameters $(\kappa^{\prime},\alpha^{\prime},\beta^{\prime})$. The parameter $\beta^{\prime}$ is set to zero because we also fit the lifetime of the single exponential function itself, and the combination of both parameters would result in ambiguous solutions. The decay time distributions resulting from the two-dimensional fits are shown in Figs. 3 and 4 for candidates in the full mass range $m_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}\in[5180,5520]\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ and in the $B^{0}_{s}$ signal region $m_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}\in[5340,5390]\>{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, respectively. The fitted values are $\tau_{\text{single}}=1.54\pm 0.17\>\text{ps}$ and $\tau_{\text{single}}=1.96\pm 0.17\>\text{ps}$ for the long and downstream $K^{0}_{\rm\scriptscriptstyle S}$ sample, respectively. The $1.7\sigma$ difference between both results is understood as a statistical fluctuation. The two main fit results are therefore combined using a weighted average, leading to $\tau_{\text{single}}=1.75\pm 0.12\>\text{ps}\>,$ where the uncertainty is statistical only. The event yields obtained from the two-dimensional fits are compatible with the results quoted in Table 1. ## 6 Corrections and systematic uncertainties A number of systematic uncertainties affecting the relative branching fraction $\cal B$($B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$)/$\cal B$($B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$) and the effective lifetime are considered. The sources affecting the ratio of branching fractions are discussed first, followed by those contributing to the effective lifetime measurement. The largest systematic uncertainty on the yield ratio comes from the mass shape model, and in particular from the uncertainty on the fraction of the $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ component’s high mass tail extending below the $B^{0}_{s}$ signal. The magnitude of this effect is studied by allowing both tails of the CB shapes to vary in the fit. The largest observed deviation in the yield ratios is 3.4%, which is taken as a systematic uncertainty. The mass resolution, and hence the widths of the CB shapes, is assumed to be identical for the $B^{0}$ and $B^{0}_{s}$ signal modes, but could in principle depend on the mass of the reconstructed $B$ candidate. This effect is studied by multiplying the CB widths of the $B^{0}_{s}$ signal PDF by different scale factors, obtained by comparing $B^{0}$ and $B^{0}_{s}$ signal shapes in simulation. The largest observed difference in the yield ratios is 1.4%, which is taken as a systematic uncertainty. Varying the $B^{0}_{s}$–$B^{0}$ mass difference within its uncertainty has negligible effect on the yield ratios. The selection procedure is designed to be independent of the reconstructed $B$ mass. Simulated data is used to check this assumption, and to evaluate the difference in selection efficiency arising from the different shapes of the $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ and $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ decay time distributions. The ratio of total selection efficiencies is equal to $0.968\pm 0.007$, and is used to correct the yield ratio. The stability of the multivariate selection is verified by comparing different training schemes and optimisation procedures, as well as by calculating the yield ratios for different subsets of the long and downstream $K^{0}_{\rm\scriptscriptstyle S}$ sample. All of these tests give results that are compatible with the measured ratio. The corrections and systematic uncertainties affecting the branching fraction ratio are listed in Table 2. The total systematic uncertainty is obtained by adding all the uncertainties in quadrature. Table 2: Corrections and systematic uncertainties on the yield ratio. Source | Value ---|--- Fit model | $1.000\ \pm\ 0.034$ $B^{0}_{s}$ mass resolution | $1.000\ \pm\ 0.014$ Selection efficiency | $0.968\ \pm\ 0.007$ Total correction $f_{\text{corr}}^{{\cal B}}$ | $0.968\ \pm\ 0.034$ The main systematic uncertainties affecting the effective $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ lifetime arise from modelling the different components of the decay time distribution. Their amplitudes are evaluated by comparing the results from the nominal fit to similar fits using alternative parametrisations. All tested fit models give compatible results. The largest observed deviations in $\tau_{\text{single}}$ are 3.9% due to modelling of the background decay time distribution, 0.47% due to the acceptance function and 0.39% due to the reconstructed $B$ mass description, all of which are assigned as systematic uncertainties. Variations in the decay time resolution model are found to have negligible impact on $\tau_{\text{single}}$. The assumed value of the $B^{0}$ lifetime has a significant impact on the shape of the acceptance function, and the $\beta$ parameter in particular, which in turn affects the fitted value of $\tau_{\text{single}}$. This effect is studied by varying the $B^{0}$ lifetime within its uncertainty [29]. The largest observed deviation in $\tau_{\text{single}}$ is 0.52%, which is taken as a systematic uncertainty. The fit method is tested on simulated data using large sets of pseudo- experiments, which have the same mass and decay time distributions as the data. Different datasets are generated using the fitted two-dimensional signal and background distributions, and $\tau_{\text{single}}$ is then again fitted to these pseudo-experiments. The fit result is compared with the input value to search for possible biases. From the spread in the fitted values and the accompanying residual distributions, a small bias is found. This bias is attributed to the limited size of the background sample, and the resulting difficulty to constrain the background decay time parameters. A correction factor of $1.002\pm 0.002$ is assigned to account for this potential bias. Due to the presence of a non-trivial acceptance function, the result of fitting a single exponential to the untagged $B^{0}_{s}$ decay time distribution does mathematically not agree with the formal definition of the effective lifetime in Eq. (1), as explained in Ref. [36]. The size and sign of the difference between $\tau_{\text{single}}$ and $\tau_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}^{\text{eff}}$ depend on the values of $\tau_{B^{0}_{s}}$, $y_{s}$, $\mathcal{A}_{\Delta\Gamma_{s}}$, and the shape of the acceptance function. The difference is calculated with pseudo- experiments that sample the acceptance parameters, $\tau_{B^{0}_{s}}$ and $y_{s}$ from Gaussian distributions related to their respective fitted and known values. Since $\mathcal{A}_{\Delta\Gamma_{s}}$ is currently not constrained by experiment, it is sampled uniformly from the interval $[{-1},1]$. The average difference between $\tau_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}^{\text{eff}}$ and $\tau_{\text{single}}$, obtained using the acceptance function affecting the long (downstream) $K^{0}_{\rm\scriptscriptstyle S}$ sample, is found to be $-0.001\>\text{ps}$ $(-0.003\>\text{ps})$. A correction factor of $0.999\pm 0.001$ is assigned to account for this bias. The presence of a production asymmetry between the $B^{0}_{s}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ mesons could potentially alter the measured value of the effective lifetime, but even for large estimates of the size of this asymmetry, the effect is found to be negligible. Finally, the systematic uncertainties in the momentum and the decay length scale propagate to the effective lifetime. The size of the former contribution is evaluated by recomputing the decay time while varying the momenta of the final state particles within their uncertainty. The systematic uncertainty due to the decay length scale mainly comes from the track-based alignment. Both effects are found to be negligible. The stability of the fit is verified by comparing the nominal results with those obtained using different fit ranges, or using only subsets of the long and downstream $K^{0}_{\rm\scriptscriptstyle S}$ samples. All these tests give compatible results. The corrections and systematic uncertainties affecting the effective $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ lifetime are listed in Table 3. The total systematic uncertainty is obtained by adding all the uncertainties in quadrature. Table 3: Corrections and systematic uncertainties on the effective $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ lifetime. Source | Value ---|--- Background model | $1.000\ \pm\ 0.039$ Acceptance model | $1.000\ \pm\ 0.005$ Mass model | $1.000\ \pm\ 0.004$ $B^{0}$ lifetime | $1.000\ \pm\ 0.005$ Fit method | $1.002\ \pm\ 0.002$ Effective lifetime definition | $0.999\ \pm\ 0.001$ Total correction $f_{\text{corr}}^{\text{eff}}$ | $1.001\ \pm\ 0.040$ ## 7 Results and conclusion Using the measured ratio $R=0.0116\pm 0.0008$ of $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ and $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ yields, the correction factor $f_{\text{corr}}^{{\cal B}}=0.968\pm 0.034$, and the ratio of hadronisation fractions $f_{s}/f_{d}=0.256\pm 0.020$ [37], the ratio of branching fractions is computed to be $\displaystyle\frac{{\cal B}(B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S})}{{\cal B}(B^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S})}$ $\displaystyle=$ $\displaystyle R\times f_{\text{corr}}^{{\cal B}}\times\frac{f_{d}}{f_{s}}$ $\displaystyle=$ $\displaystyle 0.0439\pm 0.0032\>\text{(stat)}\pm 0.0015\>\text{(syst)}\pm 0.0034\>(f_{s}/f_{d})\>,$ where the quoted uncertainties are statistical, systematic, and due to the uncertainty in $f_{s}/f_{d}$, respectively. Using the known $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}$ branching fraction [29], the ratio of branching fractions can be converted into a measurement of the time-integrated $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ branching fraction. Taking into account the different rates of $B^{+}$$B^{-}$ and $B^{0}$$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ pair production at the $\mathchar 28935\relax{(4S)}$ resonance $\Gamma(B^{+}{}B^{-})/\Gamma(B^{0}{}\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0})=1.055\pm 0.025$ [29], the above result is multiplied by the corrected value ${\cal B}(B^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0})=(8.98\pm 0.35)\times 10^{-4}$ and gives $\displaystyle{\cal B}(B^{0}_{s}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S})=$ $\displaystyle\left[1.97\pm 0.14\>\text{(stat)}\pm 0.07\>\text{(syst)}\pm 0.15\>(f_{s}/f_{d})\pm 0.08\>({\cal B}(B^{0}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}))\right]\times 10^{-5}\>,$ where the last uncertainty comes from the $B^{0}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}$ branching fraction. This result is compatible with, and more precise than, previous measurements [12, 13], and supersedes the previous LHCb measurement. The branching fraction is consistent with expectations from $U$-spin symmetry [13]. Using $\tau_{\text{single}}=1.75\pm 0.12\>\text{ps}$ and the correction factor $f_{\text{corr}}^{\text{eff}}=1.001\pm 0.040$, the effective $B^{0}_{s}$ $\rightarrow$ ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$$K^{0}_{\rm\scriptscriptstyle S}$ lifetime is given by $\displaystyle\tau_{{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}{}K^{0}_{\rm\scriptscriptstyle S}}^{\text{eff}}$ $\displaystyle=$ $\displaystyle f_{\text{corr}}^{\text{eff}}\times\tau_{\text{single}}$ $\displaystyle=$ $\displaystyle 1.75\pm 0.12\>(\text{stat})\pm 0.07\>(\text{syst})\>\text{ps}\>.$ This is the first measurement of this quantity. The result is compatible with the SM prediction given in Eq. (6). ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). 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arxiv-papers
2013-04-16T15:53:24
2024-09-04T02:49:44.468967
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, G. Bencivenni, S.\n Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M. van Beuzekom,\n A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F.\n Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W. Bonivento, S.\n Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van\n den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton, N.H. Brook, H.\n Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S. Cadeddu, O.\n Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, D. Campora Perez,\n A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H. Carranza-Mejia, L.\n Carson, K. Carvalho Akiba, G. Casse, L. Castillo Garcia, M. Cattaneo, Ch.\n Cauet, M. Charles, Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K.\n Ciba, X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, B.\n Couturier, G.A. Cowan, D.C. Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P.\n David, P.N.Y. David, A. Davis, I. De Bonis, K. De Bruyn, S. De Capua, M. De\n Cian, J.M. De Miranda, L. De Paula, W. De Silva, P. De Simone, D. Decamp, M.\n Deckenhoff, L. Del Buono, N. D\\'el\\'eage, D. Derkach, O. Deschamps, F.\n Dettori, A. Di Canto, F. Di Ruscio, H. Dijkstra, M. Dogaru, S. Donleavy, F.\n Dordei, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya, F. Dupertuis, R.\n Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U. Egede, V. Egorychev, S.\n Eidelman, D. van Eijk, S. Eisenhardt, U. Eitschberger, R. Ekelhof, L. Eklund,\n I. El Rifai, Ch. Elsasser, D. Elsby, A. Falabella, C. F\\\"arber, G. Fardell,\n C. Farinelli, S. Farry, V. Fave, D. Ferguson, V. Fernandez Albor, F. Ferreira\n Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, C. Fitzpatrick, M. Fontana,\n F. Fontanelli, R. Forty, O. Francisco, M. Frank, C. Frei, M. Frosini, S.\n Furcas, E. Furfaro, A. Gallas Torreira, D. Galli, M. Gandelman, P. Gandini,\n Y. Gao, J. Garofoli, P. Garosi, J. Garra Tico, L. Garrido, C. Gaspar, R.\n Gauld, E. Gersabeck, M. Gersabeck, T. Gershon, Ph. Ghez, V. Gibson, V.V.\n Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M.\n Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G.\n Graziani, A. Grecu, E. Greening, S. Gregson, P. Griffith, O. Gr\\\"unberg, B.\n Gui, E. Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G. Haefeli, C. Haen,\n S.C. Haines, S. Hall, T. Hampson, S. Hansmann-Menzemer, N. Harnew, S.T.\n Harnew, J. Harrison, T. Hartmann, J. He, V. Heijne, K. Hennessy, P. Henrard,\n J.A. Hernando Morata, E. van Herwijnen, E. Hicks, D. Hill, M. Hoballah, C.\n Hombach, P. Hopchev, W. Hulsbergen, P. Hunt, T. Huse, N. Hussain, D.\n Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik, P. Ilten, R. Jacobsson, A.\n Jaeger, E. Jans, P. Jaton, F. Jing, M. John, D. Johnson, C.R. Jones, C.\n Joram, B. Jost, M. Kaballo, S. Kandybei, M. Karacson, T.M. Karbach, I.R.\n Kenyon, U. Kerzel, T. Ketel, A. Keune, B. Khanji, O. Kochebina, I. Komarov,\n R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L. Kravchuk, K.\n Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M. Kucharczyk, V.\n Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G. Lafferty, A.\n Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C. Langenbruch,\n T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\`evre,\n A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B. Leverington, Y.\n Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G. Liu, S. Lohn, I.\n Longstaff, J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H. Lu, D. Lucchesi,\n J. Luisier, H. Luo, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S.\n Malde, G. Manca, G. Mancinelli, U. Marconi, R. M\\\"arki, J. Marks, G.\n Martellotti, A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M. Martinelli, D.\n Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev, Z. Mathe, C.\n Matteuzzi, E. Maurice, A. Mazurov, J. McCarthy, A. McNab, R. McNulty, B.\n Meadows, F. Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J.\n Molina Rodriguez, S. Monteil, D. Moran, P. Morawski, M.J. Morello, R.\n Mountain, I. Mous, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster,\n P. Naik, T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neufeld, A.D.\n Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R. Niet, N. Nikitin,\n T. Nikodem, A. Nomerotski, A. Novoselov, A. Oblakowska-Mucha, V. Obraztsov,\n S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, M. Orlandea, J.M. Otalora\n Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano, M. Palutan, J. Panman,\n A. Papanestis, M. Pappagallo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D.\n Patel, M. Patel, G.N. Patrick, C. Patrignani, C. Pavel-Nicorescu, A. Pazos\n Alvarez, A. Pellegrino, G. Penso, M. Pepe Altarelli, S. Perazzini, D.L.\n Perego, E. Perez Trigo, A. P\\'erez-Calero Yzquierdo, P. Perret, M.\n Perrin-Terrin, G. Pessina, K. Petridis, A. Petrolini, A. Phan, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, S. Playfer, M. Plo Casasus, F.\n Polci, G. Polok, A. Poluektov, E. Polycarpo, A. Popov, D. Popov, B. Popovici,\n C. Potterat, A. Powell, J. Prisciandaro, V. Pugatch, A. Puig Navarro, G.\n Punzi, W. Qian, J.H. Rademacker, B. Rakotomiaramanana, M.S. Rangel, I.\n Raniuk, N. Rauschmayr, G. Raven, S. Redford, M.M. Reid, A.C. dos Reis, S.\n Ricciardi, A. Richards, K. Rinnert, V. Rives Molina, D.A. Roa Romero, P.\n Robbe, E. Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A. Romero\n Vidal, J. Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino,\n J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, V. Salustino Guimaraes,\n C. Salzmann, B. Sanmartin Sedes, M. Sannino, R. Santacesaria, C. Santamarina\n Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie,\n D. Savrina, P. Schaack, M. Schiller, H. Schindler, M. Schlupp, M. Schmelling,\n B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B.\n Sciascia, A. Sciubba, M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N.\n Serra, J. Serrano, P. Seyfert, M. Shapkin, I. Shapoval, P. Shatalov, Y.\n Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires,\n R. Silva Coutinho, T. Skwarnicki, N.A. Smith, E. Smith, M. Smith, M.D.\n Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza De Paula, B. Spaan, A.\n Sparkes, P. Spradlin, F. Stagni, S. Stahl, O. Steinkamp, S. Stoica, S. Stone,\n B. Storaci, M. Straticiuc, U. Straumann, V.K. Subbiah, L. Sun, S. Swientek,\n V. Syropoulos, M. Szczekowski, P. Szczypka, T. Szumlak, S. T'Jampens, M.\n Teklishyn, E. Teodorescu, F. Teubert, C. Thomas, E. Thomas, J. van Tilburg,\n V. Tisserand, M. Tobin, S. Tolk, D. Tonelli, S. Topp-Joergensen, N. Torr, E.\n Tournefier, S. Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev, P.\n Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, D. Urner, U. Uwer, V.\n Vagnoni, G. Valenti, R. Vazquez Gomez, P. Vazquez Regueiro, S. Vecchi, J.J.\n Velthuis, M. Veltri, G. Veneziano, M. Vesterinen, B. Viaud, D. Vieira, X.\n Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D. Voong, A. Vorobyev, V.\n Vorobyev, C. Vo\\ss, H. Voss, R. Waldi, R. Wallace, S. Wandernoth, J. Wang,\n D.R. Ward, N.K. Watson, A.D. Webber, D. Websdale, M. Whitehead, J. Wicht, J.\n Wiechczynski, D. Wiedner, L. Wiggers, G. Wilkinson, M.P. Williams, M.\n Williams, F.F. Wilson, J. Wishahi, M. Witek, S.A. Wotton, S. Wright, S. Wu,\n K. Wyllie, Y. Xie, F. Xing, Z. Xing, Z. Yang, R. Young, X. Yuan, O.\n Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y.\n Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Kristof De Bruyn", "url": "https://arxiv.org/abs/1304.4500" }
1304.4518
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-062 LHCb-PAPER-2013-014 Searches for violation of lepton flavour and baryon number in tau lepton decays at LHCb The LHCb collaboration†††Authors are listed on the following pages. Searches for the lepton flavour violating decay $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ and the lepton flavour and baryon number violating decays $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ and $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$ have been carried out using proton- proton collision data, corresponding to an integrated luminosity of $1.0$ $\mbox{\,fb}^{-1}$, taken by the LHCb experiment at $\sqrt{s}=7\mathrm{\,Te\kern-1.00006ptV}$. No evidence has been found for any signal, and limits have been set at $90\%$ confidence level on the branching fractions: ${\cal B}(\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-})<8.0\times 10^{-8}$, ${\cal B}(\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-})<3.3\times 10^{-7}$ and ${\cal B}(\tau^{-}\rightarrow p\mu^{-}\mu^{-})<4.4\times 10^{-7}$. The results for the $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ and $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$ decay modes represent the first direct experimental limits on these channels. Submitted to Physics Letters B © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen56, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 34, M. Artuso57, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso58, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani44, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk57, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia57, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton57, N.H. Brook45, H. Brown51, I. Burducea28, A. Bursche39, G. Busetto21,q, J. Buytaert37, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez35,n, A. Camboni35, P. Campana18,37, D. Campora Perez37, A. Carbone14,c, G. Carboni23,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia49, L. Carson52, K. Carvalho Akiba2, G. Casse51, L. Castillo Garcia37, M. Cattaneo37, Ch. Cauet9, M. Charles54, Ph. Charpentier37, P. Chen3,38, N. Chiapolini39, M. Chrzaszcz 25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco40, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15,37, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, B. Couturier37, G.A. Cowan49, D.C. Craik47, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, P. David8, P.N.Y. David40, A. Davis56, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian39, J.M. De Miranda1, L. De Paula2, W. De Silva56, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, N. Déléage4, D. Derkach14, O. Deschamps5, F. Dettori41, A. Di Canto11, F. Di Ruscio23,k, H. Dijkstra37, M. Dogaru28, S. Donleavy51, F. Dordei11, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, R. Dzhelyadin34, A. Dziurda25, A. Dzyuba29, S. Easo48,37, U. Egede52, V. Egorychev30, S. Eidelman33, D. van Eijk40, S. Eisenhardt49, U. Eitschberger9, R. Ekelhof9, L. Eklund50,37, I. El Rifai5, Ch. Elsasser39, D. Elsby44, A. Falabella14,e, C. Färber11, G. Fardell49, C. Farinelli40, S. Farry12, V. Fave38, D. Ferguson49, V. Fernandez Albor36, F. Ferreira Rodrigues1, M. Ferro-Luzzi37, S. Filippov32, M. Fiore16, C. Fitzpatrick37, M. Fontana10, F. Fontanelli19,i, R. Forty37, O. Francisco2, M. Frank37, C. Frei37, M. Frosini17,f, S. Furcas20, E. Furfaro23,k, A. Gallas Torreira36, D. Galli14,c, M. Gandelman2, P. Gandini57, Y. Gao3, J. Garofoli57, P. Garosi53, J. Garra Tico46, L. Garrido35, C. Gaspar37, R. Gauld54, E. Gersabeck11, M. Gersabeck53, T. Gershon47,37, Ph. Ghez4, V. Gibson46, V.V. Gligorov37, C. Göbel58, D. Golubkov30, A. Golutvin52,30,37, A. Gomes2, H. Gordon54, M. Grabalosa Gándara5, R. Graciani Diaz35, L.A. Granado Cardoso37, E. Graugés35, G. Graziani17, A. Grecu28, E. Greening54, S. Gregson46, P. Griffith44, O. Grünberg59, B. Gui57, E. Gushchin32, Yu. Guz34,37, T. Gys37, C. Hadjivasiliou57, G. Haefeli38, C. Haen37, S.C. Haines46, S. Hall52, T. Hampson45, S. Hansmann-Menzemer11, N. Harnew54, S.T. Harnew45, J. Harrison53, T. Hartmann59, J. He37, V. Heijne40, K. Hennessy51, P. Henrard5, J.A. Hernando Morata36, E. van Herwijnen37, E. Hicks51, D. Hill54, M. Hoballah5, C. Hombach53, P. Hopchev4, W. Hulsbergen40, P. Hunt54, T. Huse51, N. Hussain54, D. Hutchcroft51, D. Hynds50, V. Iakovenko43, M. Idzik26, P. Ilten12, R. Jacobsson37, A. Jaeger11, E. Jans40, P. Jaton38, F. Jing3, M. John54, D. Johnson54, C.R. Jones46, C. Joram37, B. Jost37, M. Kaballo9, S. Kandybei42, M. Karacson37, T.M. Karbach37, I.R. Kenyon44, U. Kerzel37, T. Ketel41, A. Keune38, B. Khanji20, O. Kochebina7, I. Komarov38, R.F. Koopman41, P. Koppenburg40, M. Korolev31, A. Kozlinskiy40, L. Kravchuk32, K. Kreplin11, M. Kreps47, G. Krocker11, P. Krokovny33, F. Kruse9, M. Kucharczyk20,25,j, V. Kudryavtsev33, T. Kvaratskheliya30,37, V.N. La Thi38, D. Lacarrere37, G. Lafferty53, A. Lai15, D. Lambert49, R.W. Lambert41, E. Lanciotti37, G. Lanfranchi18, C. Langenbruch37, T. Latham47, C. Lazzeroni44, R. Le Gac6, J. van Leerdam40, J.-P. Lees4, R. Lefèvre5, A. Leflat31, J. Lefrançois7, S. Leo22, O. Leroy6, T. Lesiak25, B. Leverington11, Y. Li3, L. Li Gioi5, M. Liles51, R. Lindner37, C. Linn11, B. Liu3, G. Liu37, S. Lohn37, I. Longstaff50, J.H. Lopes2, E. Lopez Asamar35, N. Lopez-March38, H. Lu3, D. Lucchesi21,q, J. Luisier38, H. Luo49, F. Machefert7, I.V. Machikhiliyan4,30, F. Maciuc28, O. Maev29,37, S. Malde54, G. Manca15,d, G. Mancinelli6, U. Marconi14, R. Märki38, J. Marks11, G. Martellotti24, A. Martens8, L. Martin54, A. Martín Sánchez7, M. Martinelli40, D. Martinez Santos41, D. Martins Tostes2, A. Massafferri1, R. Matev37, Z. Mathe37, C. Matteuzzi20, E. Maurice6, A. Mazurov16,32,37,e, J. McCarthy44, A. McNab53, R. McNulty12, B. Meadows56,54, F. Meier9, M. Meissner11, M. Merk40, D.A. Milanes8, M.-N. Minard4, J. Molina Rodriguez58, S. Monteil5, D. Moran53, P. Morawski25, M.J. Morello22,s, R. Mountain57, I. Mous40, F. Muheim49, K. Müller39, R. Muresan28, B. Muryn26, B. Muster38, P. Naik45, T. Nakada38, R. Nandakumar48, I. Nasteva1, M. Needham49, N. Neufeld37, A.D. Nguyen38, T.D. Nguyen38, C. Nguyen-Mau38,p, M. Nicol7, V. Niess5, R. Niet9, N. Nikitin31, T. Nikodem11, A. Nomerotski54, A. Novoselov34, A. Oblakowska-Mucha26, V. Obraztsov34, S. Oggero40, S. Ogilvy50, O. Okhrimenko43, R. Oldeman15,d, M. Orlandea28, J.M. Otalora Goicochea2, P. Owen52, A. Oyanguren 35,o, B.K. Pal57, A. Palano13,b, M. Palutan18, J. Panman37, A. Papanestis48, M. Pappagallo50, C. Parkes53, C.J. Parkinson52, G. Passaleva17, G.D. Patel51, M. Patel52, G.N. Patrick48, C. Patrignani19,i, C. Pavel-Nicorescu28, A. Pazos Alvarez36, A. Pellegrino40, G. Penso24,l, M. Pepe Altarelli37, S. Perazzini14,c, D.L. Perego20,j, E. Perez Trigo36, A. Pérez- Calero Yzquierdo35, P. Perret5, M. Perrin-Terrin6, G. Pessina20, K. Petridis52, A. Petrolini19,i, A. Phan57, E. Picatoste Olloqui35, B. Pietrzyk4, T. Pilař47, D. Pinci24, S. Playfer49, M. Plo Casasus36, F. Polci8, G. Polok25, A. Poluektov47,33, E. Polycarpo2, A. Popov34, D. Popov10, B. Popovici28, C. Potterat35, A. Powell54, J. Prisciandaro38, V. Pugatch43, A. Puig Navarro38, G. Punzi22,r, W. Qian4, J.H. Rademacker45, B. Rakotomiaramanana38, M.S. Rangel2, I. Raniuk42, N. Rauschmayr37, G. Raven41, S. Redford54, M.M. Reid47, A.C. dos Reis1, S. Ricciardi48, A. Richards52, K. Rinnert51, V. Rives Molina35, D.A. Roa Romero5, P. Robbe7, E. Rodrigues53, P. Rodriguez Perez36, S. Roiser37, V. Romanovsky34, A. Romero Vidal36, J. Rouvinet38, T. Ruf37, F. Ruffini22, H. Ruiz35, P. Ruiz Valls35,o, G. Sabatino24,k, J.J. Saborido Silva36, N. Sagidova29, P. Sail50, B. Saitta15,d, V. Salustino Guimaraes2, C. Salzmann39, B. Sanmartin Sedes36, M. Sannino19,i, R. Santacesaria24, C. Santamarina Rios36, E. Santovetti23,k, M. Sapunov6, A. Sarti18,l, C. Satriano24,m, A. Satta23, M. Savrie16,e, D. Savrina30,31, P. Schaack52, M. Schiller41, H. Schindler37, M. Schlupp9, M. Schmelling10, B. Schmidt37, O. Schneider38, A. Schopper37, M.-H. Schune7, R. Schwemmer37, B. Sciascia18, A. Sciubba24, M. Seco36, A. Semennikov30, K. Senderowska26, I. Sepp52, N. Serra39, J. Serrano6, P. Seyfert11, M. Shapkin34, I. Shapoval16,42, P. Shatalov30, Y. Shcheglov29, T. Shears51,37, L. Shekhtman33, O. Shevchenko42, V. Shevchenko30, A. Shires52, R. Silva Coutinho47, T. Skwarnicki57, N.A. Smith51, E. Smith54,48, M. Smith53, M.D. Sokoloff56, F.J.P. Soler50, F. Soomro18, D. Souza45, B. Souza De Paula2, B. Spaan9, A. Sparkes49, P. Spradlin50, F. Stagni37, S. Stahl11, O. Steinkamp39, S. Stoica28, S. Stone57, B. Storaci39, M. Straticiuc28, U. Straumann39, V.K. Subbiah37, L. Sun56, S. Swientek9, V. Syropoulos41, M. Szczekowski27, P. Szczypka38,37, T. Szumlak26, S. T’Jampens4, M. Teklishyn7, E. Teodorescu28, F. Teubert37, C. Thomas54, E. Thomas37, J. van Tilburg11, V. Tisserand4, M. Tobin38, S. Tolk41, D. Tonelli37, S. Topp-Joergensen54, N. Torr54, E. Tournefier4,52, S. Tourneur38, M.T. Tran38, M. Tresch39, A. Tsaregorodtsev6, P. Tsopelas40, N. Tuning40, M. Ubeda Garcia37, A. Ukleja27, D. Urner53, U. Uwer11, V. Vagnoni14, G. Valenti14, R. Vazquez Gomez35, P. Vazquez Regueiro36, S. Vecchi16, J.J. Velthuis45, M. Veltri17,g, G. Veneziano38, M. Vesterinen37, B. Viaud7, D. Vieira2, X. Vilasis-Cardona35,n, A. Vollhardt39, D. Volyanskyy10, D. Voong45, A. Vorobyev29, V. Vorobyev33, C. Voß59, H. Voss10, R. Waldi59, R. Wallace12, S. Wandernoth11, J. Wang57, D.R. Ward46, N.K. Watson44, A.D. Webber53, D. Websdale52, M. Whitehead47, J. Wicht37, J. Wiechczynski25, D. Wiedner11, L. Wiggers40, G. Wilkinson54, M.P. Williams47,48, M. Williams55, F.F. Wilson48, J. Wishahi9, M. Witek25, S.A. Wotton46, S. Wright46, S. Wu3, K. Wyllie37, Y. Xie49,37, F. Xing54, Z. Xing57, Z. Yang3, R. Young49, X. Yuan3, O. Yushchenko34, M. Zangoli14, M. Zavertyaev10,a, F. Zhang3, L. Zhang57, W.C. Zhang12, Y. Zhang3, A. Zhelezov11, A. Zhokhov30, L. Zhong3, A. Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57Syracuse University, Syracuse, NY, United States 58Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 59Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ## 1 Introduction The observation of neutrino oscillations was the first evidence for lepton flavour violation (LFV). As a consequence, the introduction of mass terms for neutrinos in the Standard Model (SM) implies that LFV exists also in the charged sector, but with branching fractions smaller than $\sim 10^{-40}$ [1, 2]. Physics beyond the Standard Model (BSM) could significantly enhance these branching fractions. Many BSM theories predict enhanced LFV in $\tau^{-}$ decays with respect to $\mu^{-}$ decays111The inclusion of charge conjugate processes is implied throughout this Letter., with branching fractions within experimental reach [3]. To date, no charged LFV decays such as $\mu^{-}\rightarrow e^{-}\gamma$, $\mu^{-}\rightarrow e^{-}e^{+}e^{-}$, $\tau^{-}\rightarrow\ell^{-}\gamma$ and $\tau^{-}\rightarrow\ell^{-}\ell^{+}\ell^{-}$ (with $\ell^{-}=e^{-},\mu^{-}$) have been observed [4]. Baryon number violation (BNV) is believed to have occurred in the early universe, although the mechanism is unknown. BNV in charged lepton decays automatically implies lepton number and lepton flavour violation, with angular momentum conservation requiring the change $|\Delta(B-L)|=0$ or $2$, where $B$ and $L$ are the net baryon and lepton numbers. The SM and most of its extensions [1] require $|\Delta(B-L)|=0$. Any observation of BNV or charged LFV would be a clear sign for BSM physics, while a lowering of the experimental upper limits on branching fractions would further constrain the parameter spaces of BSM models. In this Letter we report on searches for the LFV decay $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ and the LFV and BNV decay modes $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ and $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$ at LHCb [5]. The inclusive $\tau^{-}$ production cross- section at the LHC is relatively large, at about $80\,\upmu$b (approximately $80\%$ of which comes from $D_{s}^{-}\rightarrow\tau^{-}\bar{\nu}_{\tau}$), estimated using the $b\bar{b}$ and $c\bar{c}$ cross-sections measured by LHCb [6, 7] and the inclusive $b\rightarrow\tau$ and $c\rightarrow\tau$ branching fractions [8]. The $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ and $\tau\rightarrow p\mu\mu$ decay modes222In the following $\tau\rightarrow p\mu\mu$ refers to both the $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ and $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$ channels. are of particular interest at LHCb, since muons provide clean signatures in the detector and the ring- imaging Cherenkov (RICH) detectors give excellent identification of protons. This Letter presents the first results on the $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ decay mode from a hadron collider and demonstrates an experimental sensitivity at LHCb, with data corresponding to an integrated luminosity of $1.0$$\mbox{\,fb}^{-1}$, that approaches the current best experimental upper limit, from Belle, ${\cal B}(\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-})<2.1\times 10^{-8}$ at 90% confidence level (CL) [9]. BaBar and Belle have searched for BNV $\tau$ decays with $|\Delta(B-L)|=0$ and $|\Delta(B-L)|=2$ using the modes $\tau^{-}\rightarrow\mathchar 28931\relax h^{-}$ and $\bar{\mathchar 28931\relax}h^{-}$ (with $h^{-}=\pi^{-},K^{-}$), and upper limits on branching fractions of order $10^{-7}$ were obtained [4]. BaBar has also searched for the $B$ meson decays $B^{0}\rightarrow\mathchar 28931\relax_{c}^{+}l^{-}$, $B^{-}\rightarrow\mathchar 28931\relax l^{-}$ (both having $|\Delta(B-L)|=0$) and $B^{-}\rightarrow\bar{\mathchar 28931\relax}l^{-}$ ($|\Delta(B-L)|=2$), obtaining upper limits at 90% CL on branching fractions in the range $(3.2-520)\times 10^{-8}$ [10]. The two BNV $\tau$ decays presented here, $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ and $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$, have $|\Delta(B-L)|=0$ but they could have rather different BSM interpretations; they have not been studied by any previous experiment. In this analysis the LHCb data sample from 2011, corresponding to an integrated luminosity of 1.0$\mbox{\,fb}^{-1}$ collected at $\sqrt{s}=7\mathrm{\,Te\kern-1.00006ptV}$, is used. Selection criteria are implemented for the three signal modes, $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$, $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ and $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$, and for the calibration and normalisation channel, which is $D_{s}^{-}\rightarrow\phi\pi^{-}$ followed by $\phi\rightarrow\mu^{+}\mu^{-}$, referred to in the following as $D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-}$. These initial, cut-based selections are designed to keep good efficiency for signal whilst reducing the dataset to a manageable level. To avoid potential bias, $\mu^{-}\mu^{+}\mu^{-}$ and $p\mu\mu$ candidates with mass within $\pm 30{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}~{}(\approx 3\sigma_{m})$ of the $\tau$ mass are initially blinded from the analysis, where $\sigma_{m}$ denotes the expected mass resolution. For the $3\mu$ channel, discrimination between potential signal and background is performed using a three-dimensional binned distribution in two likelihood variables and the mass of the $\tau$ candidate. One likelihood variable is based on the three-body decay topology and the other on muon identification. For the $\tau\rightarrow p\mu\mu$ channels, the use of the second likelihood function is replaced by cuts on the proton and muon particle identification (PID) variables. The analysis strategy and limit-setting procedure are similar to those used for the LHCb analyses of the $B^{0}_{s}\rightarrow\mu^{+}\mu^{-}$ and $B^{0}\rightarrow\mu^{+}\mu^{-}$ channels [11, 12, *Junk_99]. ## 2 Detector and triggers The LHCb detector [5] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system has momentum resolution $\Delta p/p$ that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter resolution of 20$\,\upmu\rm m$ for tracks with high transverse momentum ($p_{\rm T}$). Charged hadrons are identified using two RICH detectors. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The trigger [14] consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage that applies a full event reconstruction. The hardware trigger selects muons with $\mbox{$p_{\rm T}$}>1.48{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The software trigger requires a two-, three- or four-track secondary vertex with a high sum of the $p_{\rm T}$ of the tracks and a significant displacement from the primary $pp$ interaction vertices (PVs). At least one track should have $\mbox{$p_{\rm T}$}>1.7{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and impact parameter chi-squared (IP $\chi^{2}$), with respect to the $pp$ collision vertex, greater than 16. The IP $\chi^{2}$ is defined as the difference between the $\chi^{2}$ of the PV reconstructed with and without the track under consideration. A multivariate algorithm is used for the identification of secondary vertices. For the simulation, $pp$ collisions are generated using Pythia 6.4 [15] with a specific LHCb configuration [16]. Particle decays are described by EvtGen [17] in which final-state radiation is generated using Photos [18]. For the three signal $\tau$ decay channels, the final-state particles are distributed according to three-body phase space. The interaction of the generated particles with the detector, and its response, are implemented using the Geant4 toolkit [19, *Agostinelli:2002hh] as described in Ref. [21]. ## 3 Signal candidate selection The signal and normalisation channels have the same topology, the signature of which is a vertex displaced from the PV, having three tracks that are reconstructed to give a mass close to that of the $\tau$ lepton (or $D_{s}$ meson for the normalisation channel). In order to discriminate against background, well-reconstructed and well-identified muon, pion and proton tracks are required, with selections on track quality criteria and a requirement of $p_{\rm T}$ $>300$ ${\mathrm{\,Me\kern-1.00006ptV\\!/}c}$. Furthermore, for the $\tau\rightarrow p\mu\mu$ signal and normalisation channels the muon and proton candidates must pass loose PID requirements and the combined $p_{\rm T}$ of the three-track system is required to be greater than $4{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. All selected tracks are required to have IP $\chi^{2}>9$. The fitted three-track vertex has to be of good quality, with a fit $\chi^{2}<15$, and the measured decay time, $t$, of the candidate forming the vertex has to be compatible with that of a heavy meson or tau lepton ($ct>100\,\upmu\rm m$). Since the $Q$-values in decays of charm mesons to $\tau$ are relatively small, poorly reconstructed candidates are removed by a cut on the pointing angle between the momentum vector of the three-track system and the line joining the primary and secondary vertices. In the $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ channel, signal candidates with a $\mu^{+}\mu^{-}$ mass within $\pm 20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the $\phi$ meson mass are removed, and to eliminate irreducible background near the signal region arising from the decay $D_{s}^{-}\rightarrow\eta(\mu^{+}\mu^{-}\gamma)\mu^{-}{\bar{\nu}_{\mu}}$, candidates with a $\mu^{+}\mu^{-}$ mass combination below $450{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ are also rejected (see Section 6). Finally, to remove potential contamination from pairs of reconstructed tracks that arise from the same particle, same-sign muon pairs with mass lower than 250${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ are removed in both the $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ and $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$ channels. The signal regions are defined by $\pm 20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}\ (\approx 2\sigma_{m})$ windows around the nominal $\tau$ mass, but candidates within wide mass windows, of $\pm$400${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ for $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ decays and $\pm$250${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ for $\tau\rightarrow p\mu\mu$ decays, are kept to allow evaluation of the background contributions in the signal regions. A mass window of $\pm 20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ is also used to define the signal region for the $D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-}$ channel, with the $\mu^{+}\mu^{-}$ mass required to be within $\pm 20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the $\phi$ meson mass. ## 4 Signal and background discrimination After the selection each $\tau$ candidate is given a probability to be signal or background according to the values of several likelihoods. For $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ three likelihoods are used: a three-body likelihood, ${\rm\mathcal{M}_{3body}}$, a PID likelihood, ${\rm\mathcal{M}_{PID}}$, and an invariant mass likelihood. The likelihood ${\rm\mathcal{M}_{3body}}$ uses the properties of the reconstructed $\tau$ decay to distinguish displaced three-body decays from $N$-body decays (with $N>3$) and combinations of tracks from different vertices. Variables used include the vertex quality and its displacement from the PV, and the IP and fit $\chi^{2}$ values of the tracks. The likelihood ${\rm\mathcal{M}_{PID}}$ quantifies the compatibility of each of the three particles with the muon hypothesis using information from the RICH detectors, the calorimeters and the muon stations; the value of ${\rm\mathcal{M}_{PID}}$ is taken as the smallest one of the three muon candidates. For $\tau\rightarrow p\mu\mu$, the use of ${\rm\mathcal{M}_{PID}}$ is replaced by cuts on PID quantities. The invariant mass likelihood uses the reconstructed mass of the $\tau$ candidate to help discriminate between signal and background. For the ${\rm\mathcal{M}_{3body}}$ likelihood a boosted decision tree [22] is used, with the AdaBoost algorithm [23], and is implemented via the TMVA [24] toolkit. It is trained using signal and background samples, both from simulation, where the composition of the background is a mixture of $b\bar{b}\rightarrow\mu\mu X$ and $c\bar{c}\rightarrow\mu\mu X$ according to their relative abundance as measured in data. The ${\rm\mathcal{M}_{PID}}$ likelihood uses a neural network, which is also trained on simulated events. The probability density function shapes are calibrated using the $D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-}$ control channel and $J/\psi\rightarrow\mu^{+}\mu^{-}$ data for the ${\rm\mathcal{M}_{3body}}$ and ${\rm\mathcal{M}_{PID}}$ likelihoods, respectively. The shape of the signal mass spectrum is modelled using $D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-}$ data. The ${\rm\mathcal{M}_{3body}}$ response as determined using the training from the $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ samples is used also for the $\tau\rightarrow p\mu\mu$ analyses. For the ${\rm\mathcal{M}_{3body}}$ and ${\rm\mathcal{M}_{PID}}$ likelihoods the binning is chosen such that the separation power between the background- only and signal-plus-background hypotheses is maximised, whilst minimising the number of bins. For the ${\rm\mathcal{M}_{3body}}$ likelihood the optimum number of bins is found to be six for the $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ analysis and five for $\tau\rightarrow p\mu\mu$, while for the ${\rm\mathcal{M}_{PID}}$ likelihood the optimum number of bins is found to be five. The lowest bins in ${\rm\mathcal{M}_{3body}}$ and ${\rm\mathcal{M}_{PID}}$ do not contribute to the sensitivity and are later excluded from the analyses. The distributions of the two likelihoods, along with their binning schemes, are shown in Fig. 1 for the $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ analysis. \begin{overpic}[width=432.48048pt]{figs/supp/4a_new.pdf} \put(40.0,120.0){\small{(a)}} \end{overpic} \begin{overpic}[width=432.48048pt]{figs/supp/4b_new.pdf} \put(40.0,120.0){\small{(b)}} \end{overpic} Figure 1: Distribution of (a) ${\rm\mathcal{M}_{3body}}$ and (b) ${\rm\mathcal{M}_{PID}}$ for $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ where the binning corresponds to that used in the limit calculation. The short dashed (red) lines show the response of the data sidebands, whilst the long dashed (blue) and solid (black) lines show the response of simulated signal events before and after calibration. Note that in both cases the lowest likelihood bin is later excluded from the analysis. For the $\tau\rightarrow p\mu\mu$ analysis, further cuts on the muon and proton PID hypotheses are used instead of ${\rm\mathcal{M}_{PID}}$ and are optimised, for a $2\sigma$ significance, on simulated signal events and data sidebands using the figure of merit from Ref. [25], with the distributions of the PID variables corrected according to those observed in data. The expected shapes of the invariant mass spectra for the $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ and $\tau\rightarrow p\mu\mu$ signals, with the appropriate selections applied, are taken from fits to the $D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-}$ control channel in data as shown in Fig. 2. The signal distributions are modelled with the sum of two Gaussian functions with a common mean, where the narrower Gaussian contributes 70% of the total signal yield, while the combinatorial backgrounds are modelled with linear functions. The expected widths of the $\tau$ signals in data are taken from simulation, scaled by the ratio of the widths of the $D_{s}^{-}$ peaks in data and simulation. The data are divided into eight equally spaced bins in the $\pm 20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ mass window around the nominal $\tau$ mass. \begin{overpic}[width=432.48048pt]{figs/1a.pdf} \put(40.0,120.0){\small{(a)}} \end{overpic} \begin{overpic}[width=432.48048pt]{figs/1b.pdf} \put(40.0,120.0){\small{(b)}} \end{overpic} Figure 2: Invariant mass distribution of $\phi(\mu^{+}\mu^{-})\pi^{-}$ after (a) the $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ selection and (b) the $\tau\rightarrow p\mu\mu$ selection and PID cuts. The solid (blue) lines show the overall fits, the long dashed (green) and short dashed (red) lines show the two Gaussian components of the signal and the dot dashed (black) lines show the backgrounds. ## 5 Normalisation To measure the signal branching fraction for the decay $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ (and similarly for $\tau\rightarrow p\mu\mu$) we normalise to the $D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-}$ calibration channel using $\displaystyle{{\cal B}(\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-})}$ $\displaystyle\quad={{\cal B}(D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-})}\times\frac{f^{D_{s}}_{\tau}}{{\cal B}(D_{s}^{-}\rightarrow\tau^{-}\bar{\nu}_{\tau})}\times\frac{\rm{\epsilon\mathstrut_{cal}^{REC\&SEL}}}{\rm\epsilon\mathstrut_{sig}^{REC\&SEL}}\times\frac{\rm{\epsilon\mathstrut_{cal}^{TRIG}}}{\rm\epsilon\mathstrut_{sig}^{TRIG}}\times\frac{N_{\rm sig}}{N_{\rm cal}}$ $\displaystyle\quad=\alpha\times N_{\rm sig}\,,$ (1) where $\alpha$ is the overall normalisation factor and $N_{\rm sig}$ is the number of observed signal events. The branching fraction ${\cal B}(D_{s}^{-}\rightarrow\tau^{-}\bar{\nu}_{\tau})$ is taken from Ref. [26]. The quantity $f^{D_{s}}_{\tau}$ is the fraction of $\tau$ leptons that originate from $D_{s}^{-}$ decays, calculated using the $b\bar{b}$ and $c\bar{c}$ cross- sections as measured by LHCb [6, 7] and the inclusive $b\rightarrow\tau$, $c\rightarrow\tau$, $b\rightarrow D_{s}$ and $c\rightarrow D_{s}$ branching fractions [8]. The corresponding expression for the $\tau\rightarrow p\mu\mu$ decay is identical except for the inclusion of a further term, ${\rm\epsilon\mathstrut_{cal}^{PID}}/{\rm\epsilon\mathstrut_{sig}^{PID}}$, to account for the effect of the PID cuts. The reconstruction and selection efficiencies, $\rm\epsilon^{REC\&SEL}$, are products of the detector acceptances for the particular decays, the muon identification efficiencies and the selection efficiencies. The combined muon identification and selection efficiency is determined from the yield of simulated events after the full selections have been applied. In the sample of simulated events, the track IPs are smeared to describe the secondary-vertex resolution of the data. Furthermore, the events are given weights to adjust the prompt and non-prompt $b$ and $c$ particle production fractions to the latest measurements [8]. The difference in the result if the weights are varied within their uncertainties is assigned as a systematic uncertainty. The ratio of efficiencies is corrected to account for the differences between data and simulation in efficiencies of track reconstruction, muon identification, the $\phi(1020)$ mass window cut in the normalisation channel and the $\tau$ mass window cut, with all associated systematic uncertainties included. The removal of candidates in the least sensitive bins in the ${\rm\mathcal{M}_{3body}}$ and ${\rm\mathcal{M}_{PID}}$ classifiers is also taken into account. The trigger efficiency for selected candidates, $\rm\epsilon^{TRIG}$, is evaluated from simulation while its systematic uncertainty is determined from the difference between trigger efficiencies of $B^{-}\rightarrow J/\psi K^{-}$ decays measured in data and in simulation. For the $\tau\rightarrow p\mu\mu$ channels the PID efficiency for selected and triggered candidates, $\rm\epsilon^{PID}$, is calculated using data calibration samples of $J/\psi\rightarrow\mu^{+}\mu^{-}$ and $\mathchar 28931\relax\rightarrow p\pi^{-}$ decays, with the tracks weighted to match the kinematics of the signal and calibration channels. A systematic uncertainty of 1% per corrected final-state track is assigned [7], as well as a further 1% uncertainty to account for differences in the kinematic binning of the calibration samples between the analyses. The branching fraction of the calibration channel is determined from a combination of known branching fractions using ${\cal B}(D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-})=\frac{{\cal B}(D_{s}^{-}\rightarrow\phi(K^{+}K^{-})\pi^{-})}{{\cal B}(\phi\rightarrow K^{+}K^{-})}{\cal B}(\phi\rightarrow\mu^{+}\mu^{-})=(1.33\pm 0.12)\times 10^{-5}\,,$ (2) where ${\cal B}(\phi\rightarrow K^{+}K^{-})$ and ${\cal B}(\phi\rightarrow\mu^{+}\mu^{-})$ are taken from [8] and ${\cal B}(D_{s}^{-}\rightarrow\phi(K^{+}K^{-})\pi^{-})$ is taken from the BaBar amplitude analysis [27], which considers only the $\phi\rightarrow K^{+}K^{-}$ resonant part of the $D_{s}^{-}$ decay. This is motivated by the negligible contribution of non-resonant $D_{s}^{-}\rightarrow\mu^{+}\mu^{-}\pi^{-}$ events seen in our data. The yields of $D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-}$ candidates in data, $N_{\rm cal}$, are determined from the fits to reconstructed $\phi(\mu^{+}\mu^{-})\pi^{-}$ mass distributions, shown in Fig. 2. The variations in the yields if the relative contributions of the two Gaussian components are varied in the fits are considered as systematic uncertainties. Table 1 gives a summary of all contributions to $\alpha$; the uncertainties are taken to be uncorrelated. Table 1: Terms entering in the normalisation factor $\alpha$ for $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$, $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ and $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$, and their combined statistical and systematic uncertainties. $\begin{array}[]{c|r@{\hspace{1mm}\pm\hspace{1mm}}l|r@{\hspace{1mm}\pm\hspace{1mm}}l|r@{\hspace{1mm}\pm\hspace{1mm}}l}&\lx@intercol\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}\hfil\lx@intercol\vrule\lx@intercol&\lx@intercol\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}\hfil\lx@intercol\vrule\lx@intercol&\lx@intercol\tau^{-}\rightarrow p\mu^{-}\mu^{-}\hfil\lx@intercol\\\ \hline\cr{\cal B}(D_{s}^{-}\rightarrow\phi(\mu^{+}\mu^{-})\pi^{-})&\lx@intercol\hfil(1.33\hskip 2.84526pt\pm\hskip 2.84526pt&\lx@intercol 0.12)\times 10^{-5}\hfil\lx@intercol\\\ \hline\cr f^{D_{s}}_{\tau}&\lx@intercol\hfil 0.78\hskip 2.84526pt\pm\hskip 2.84526pt&\lx@intercol 0.05\hfil\lx@intercol\\\ \hline\cr{\cal B}(D_{s}^{-}\rightarrow\tau^{-}\bar{\nu}_{\tau})&\lx@intercol\hfil 0.0561\hskip 2.84526pt\pm\hskip 2.84526pt&\lx@intercol 0.0024\hfil\lx@intercol\\\ \hline\cr\rm{\epsilon\mathstrut_{cal}}^{REC\&SEL}/\rm{\epsilon\mathstrut_{sig}}^{REC\&SEL}&1.49\hskip 2.84526pt\pm\hskip 2.84526pt&0.12&1.35\hskip 2.84526pt\pm\hskip 2.84526pt&0.12&1.36\hskip 2.84526pt\pm\hskip 2.84526pt&0.12\\\ \hline\cr\rm{\epsilon\mathstrut_{cal}}^{TRIG}/\rm{\epsilon\mathstrut_{sig}}^{TRIG}&0.753\hskip 2.84526pt\pm\hskip 2.84526pt&0.037&1.68\hskip 2.84526pt\pm\hskip 2.84526pt&0.10&2.03\hskip 2.84526pt\pm\hskip 2.84526pt&0.13\\\ \hline\cr\rm{\epsilon\mathstrut_{cal}}^{PID}/\rm{\epsilon\mathstrut_{sig}}^{PID}&\lx@intercol\hskip 28.45274pt\rm{n/a}\hfil\lx@intercol\vrule\lx@intercol&1.43\hskip 2.84526pt\pm\hskip 2.84526pt&0.07&1.42\hskip 2.84526pt\pm\hskip 2.84526pt&0.08\\\ \hline\cr N_{\rm cal}&48\,076\hskip 2.84526pt\pm\hskip 2.84526pt&840&\lx@intercol\hfil 8\,145\pm 180\hfil\lx@intercol\\\ \hline\cr\alpha&(4.34\hskip 2.84526pt\pm\hskip 2.84526pt&0.65)\times 10^{-9}&(7.4\hskip 2.84526pt\pm\hskip 2.84526pt&1.2)\times 10^{-8}&(9.0\hskip 2.84526pt\pm\hskip 2.84526pt&1.5)\times 10^{-8}\\\ \end{array}$ ## 6 Background studies The background processes for the decay $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ consist mainly of decay chains of heavy mesons with three real muons in the final state or with one or two real muons in combination with two or one misidentified particles. These backgrounds vary smoothly in the mass spectra in the region of the signal channel. The most important peaking background channel is found to be $D_{s}^{-}\rightarrow\eta(\mu^{+}\mu^{-}\gamma)\mu^{-}{\bar{\nu}_{\mu}}$, about $80\%$ of which is removed (see Section 3) by a cut on the dimuon mass. The small remaining background from this process is consistent with the smooth variation in the mass spectra of the other backgrounds in the mass range considered in the fit. Based on simulations, no peaking backgrounds are expected in the $\tau\rightarrow p\mu\mu$ analyses. The expected numbers of background events within the signal region, for each bin in ${\rm\mathcal{M}_{3body}}$, ${\rm\mathcal{M}_{PID}}$ (for $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$) and mass, are evaluated by fitting the candidate mass spectra outside of the signal windows to an exponential function using an extended, unbinned maximum likelihood fit. The small differences obtained if the exponential curves are replaced by straight lines are included as systematic uncertainties. For $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ the data are fitted over the mass range $1600-1950$${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, while for $\tau\rightarrow p\mu\mu$ the fitted mass range is $1650-1900$${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, excluding windows around the expected signal mass of $\pm 30$${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ for $\mu^{-}\mu^{+}\mu^{-}$ and $\pm 20$${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ for $p\mu\mu$. The resulting fits to the data sidebands for a selection of bins for the three channels are shown in Fig. 3. \begin{overpic}[width=455.24408pt]{figs/2a.pdf} \put(40.0,120.0){\small{(a)}} \put(80.0,125.0){\tiny{${\rm\mathcal{M}_{3body}}$ $\in[0.65,1.0]$}} \put(80.0,115.0){\tiny{${\rm\mathcal{M}_{PID}}$ $\in[0.725,1.0]$}} \end{overpic} \begin{overpic}[width=455.24408pt]{figs/2b.pdf} \put(40.0,120.0){\small{(b)}} \put(60.0,120.0){\tiny{${\rm\mathcal{M}_{3body}}$ $\in[0.40,1.0]$}} \end{overpic} \begin{overpic}[width=455.24408pt]{figs/2c.pdf} \put(40.0,120.0){\small{(c)}} \put(35.0,105.0){\tiny{${\rm\mathcal{M}_{3body}}$ $\in[0.40,1.0]$}} \end{overpic} Figure 3: Invariant mass distributions and fits to the mass sidebands in data for (a) $\mu^{+}\mu^{-}\mu^{-}$ candidates in the four merged bins that contain the highest signal probabilities, (b) ${\bar{p}}\mu^{+}\mu^{-}$ candidates in the two merged bins with the highest signal probabilities, and (c) $p\mu^{-}\mu^{-}$ candidates in the two merged bins with the highest signal probabilities. ## 7 Results Tables 2 and 3 give the expected and observed numbers of candidates for all three channels investigated, in each bin of the likelihood variables, where the uncertainties on the background likelihoods are used to compute the uncertainties on the expected numbers of events. No significant evidence for an excess of events is observed. Using the $\textrm{CL}_{\textrm{s}}$ method as a statistical framework, the distributions of observed and expected $\textrm{CL}_{\textrm{s}}$ values are calculated as functions of the assumed branching fractions. The aforementioned uncertainties and the uncertainties on the signal likelihoods and normalisation factors are included using the techniques described in Ref. [12, *Junk_99]. The resulting distributions of $\textrm{CL}_{\textrm{s}}$ values are shown in Fig. 4. The expected limits at $90\%~{}(95\%)$ CL for the branching fractions are $\displaystyle{\cal B}(\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-})$ $\displaystyle<$ $\displaystyle 8.3~{}(10.2)\times 10^{-8},$ $\displaystyle{\cal B}(\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-})$ $\displaystyle<$ $\displaystyle 4.6~{}(5.9)\times 10^{-7},$ $\displaystyle{\cal B}(\tau^{-}\rightarrow p\mu^{-}\mu^{-})$ $\displaystyle<$ $\displaystyle 5.4~{}(6.9)\times 10^{-7},$ while the observed limits at $90\%~{}(95\%)$ CL are $\displaystyle{\cal B}(\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-})$ $\displaystyle<$ $\displaystyle 8.0~{}(9.8)\times 10^{-8},$ $\displaystyle{\cal B}(\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-})$ $\displaystyle<$ $\displaystyle 3.3~{}(4.3)\times 10^{-7},$ $\displaystyle{\cal B}(\tau^{-}\rightarrow p\mu^{-}\mu^{-})$ $\displaystyle<$ $\displaystyle 4.4~{}(5.7)\times 10^{-7}.$ All limits are given for the phase-space model of $\tau$ decays. For $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$, the efficiency is found to vary by no more than $20\%$ over the $\mu^{-}\mu^{-}$ mass range and by $10\%$ over the $\mu^{+}\mu^{-}$ mass range. For $\tau\rightarrow p\mu\mu$, the efficiency varies by less than $20\%$ over the dimuon mass range and less than $10\%$ with $p\mu$ mass. In summary, a first limit on the lepton flavour violating decay mode $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ has been obtained at a hadron collider. The result is compatible with previous limits and indicates that with the additional luminosity expected from the LHC over the coming years, the sensitivity of LHCb will become comparable with, or exceed, those of BaBar and Belle. First direct upper limits have been placed on the branching fractions for two $\tau$ decay modes that violate both baryon number and lepton flavour, $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ and $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$. Table 2: Expected background candidate yields, with their systematic uncertainties, and observed candidate yields within the $\tau$ signal window in the different likelihood bins for the $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$ analysis. The likelihood values for ${\rm\mathcal{M}_{PID}}$ range from $0$ (most background-like) to $+1$ (most signal-like), while those for ${\rm\mathcal{M}_{3body}}$ range from $-1$ (most background-like) to $+1$ (most signal-like). The lowest likelihood bins have been excluded from the analysis. ${\rm\mathcal{M}_{PID}}$ | ${\rm\mathcal{M}_{3body}}$ | Expected | Observed ---|---|---|--- | $-$0.48 – | 0.05 | 345.0 $\pm$ | 6.7 | 409 | 0.05 – | 0.35 | 83.8 $\pm$ | 3.3 | 68 0.43 – 0.6 | 0.35 – | 0.65 | 30.2 $\pm$ | 2.0 | 35 | 0.65 – | 0.74 | 4.3 $\pm$ | 0.8 | 2 | 0.74 – | 1.0 | 1.4 $\pm$ | 0.4 | 1 | $-$0.48 – | 0.05 | 73.1 $\pm$ | 3.1 | 64 | 0.05 – | 0.35 | 18.3 $\pm$ | 1.5 | 15 0.6 – 0.65 | 0.35 – | 0.65 | 8.6 $\pm$ | 1.1 | 7 | 0.65 – | 0.74 | 0.4 $\pm$ | 0.1 | 0 | 0.74 – | 1.0 | 0.6 $\pm$ | 0.2 | 2 | $-$0.48 – | 0.05 | 45.4 $\pm$ | 2.4 | 51 | 0.05 – | 0.35 | 11.7 $\pm$ | 1.2 | 6 0.65 – 0.725 | 0.35 – | 0.65 | 5.3 $\pm$ | 0.8 | 3 | 0.65 – | 0.74 | 0.8 $\pm$ | 0.2 | 1 | 0.74 – | 1.0 | 0.4 $\pm$ | 0.1 | 0 | $-$0.48 – | 0.05 | 44.5 $\pm$ | 2.4 | 62 | 0.05 – | 0.35 | 10.6 $\pm$ | 1.2 | 13 0.725 – 0.86 | 0.35 – | 0.65 | 7.3 $\pm$ | 1.0 | 7 | 0.65 – | 0.74 | 1.0 $\pm$ | 0.2 | 2 | 0.74 – | 1.0 | 0.4 $\pm$ | 0.1 | 0 | $-$0.48 – | 0.05 | 5.9 $\pm$ | 0.9 | 7 | 0.05 – | 0.35 | 0.7 $\pm$ | 0.2 | 1 0.86 – 1.0 | 0.35 – | 0.65 | 1.0 $\pm$ | 0.2 | 1 | 0.65 – | 0.74 | 0.5 $\pm$ | 0.0 | 0 | 0.74 – | 1.0 | 0.4 $\pm$ | 0.1 | 0 Table 3: Expected background candidate yields, with their systematic uncertainties, and observed candidate yields within the $\tau$ mass window in the different likelihood bins for the $\tau\rightarrow p\mu\mu$ analysis. The likelihood values for ${\rm\mathcal{M}_{3body}}$ range from $-1$ (most background-like) to $+1$ (most signal-like). The lowest likelihood bin has been excluded from the analysis. | $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ | $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$ ---|---|--- ${\rm\mathcal{M}_{3body}}$ | Expected | Observed | Expected | Observed $-$0.05 – | 0.20 | 37.9 $\pm$ | 0.8 | 43 | 41.0 $\pm$ | 0.9 | 41 0.20 – | 0.40 | 12.6 $\pm$ | 0.5 | 8 | 11.0 $\pm$ | 0.5 | 13 0.40 – | 0.70 | 6.76 $\pm$ | 0.37 | 6 | 7.64 $\pm$ | 0.39 | 10 0.70 – | 1.00 | 0.96 $\pm$ | 0.14 | 0 | 0.49 $\pm$ | 0.12 | 0 \begin{overpic}[width=455.24408pt]{figs/3a.pdf} \put(40.0,120.0){\small{(a)}} \end{overpic} \begin{overpic}[width=455.24408pt]{figs/3b.pdf} \put(40.0,120.0){\small{(b)}} \end{overpic} \begin{overpic}[width=455.24408pt]{figs/3c.pdf} \put(40.0,120.0){\small{(c)}} \end{overpic} Figure 4: Distribution of $\textrm{CL}_{\textrm{s}}$ values as functions of the assumed branching fractions, under the hypothesis to observe background events only, for (a) $\tau^{-}\rightarrow\mu^{-}\mu^{+}\mu^{-}$, (b) $\tau^{-}\rightarrow\bar{p}\mu^{+}\mu^{-}$ and (c) $\tau^{-}\rightarrow p\mu^{-}\mu^{-}$. The dashed lines indicate the expected curves and the solid lines the observed ones. The light (yellow) and dark (green) bands cover the regions of 68% and 95% confidence for the expected limits. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are thankful for the computing resources put at our disposal by Yandex LLC (Russia), as well as to the communities behind the multiple open source software packages that we depend on. ## References * [1] M. Raidal et al., Flavour physics of leptons and dipole moments, Eur. Phys. J. C57 (2008) 13, arXiv:0801.1826 * [2] A. Ilakovac, A. Pilaftsis, and L. Popov, Charged lepton flavor violation in supersymmetric low-scale seesaw models, Phys. Rev. D 87 (2013) 053014 * [3] W. J. Marciano, T. Mori, and J. M. Roney, Charged lepton flavour violation experiments, Ann. Rev. Nucl. Part. Sci 58 (2008) 315 * [4] Heavy Flavor Averaging Group, Y. Amhis et al., Averages of b-hadron, c-hadron, and tau-lepton properties as of early 2012, arXiv:1207.1158 * [5] LHCb, A. 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arxiv-papers
2013-04-16T17:01:10
2024-09-04T02:49:44.476694
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, G. Bencivenni, S.\n Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M. van Beuzekom,\n A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F.\n Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W. Bonivento, S.\n Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van\n den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton, N.H. Brook, H.\n Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S. Cadeddu, O.\n Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, D. Campora Perez,\n A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H. Carranza-Mejia, L.\n Carson, K. Carvalho Akiba, G. Casse, L. Castillo Garcia, M. Cattaneo, Ch.\n Cauet, M. Charles, Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K.\n Ciba, X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, B.\n Couturier, G.A. Cowan, D.C. Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P.\n David, P.N.Y. David, A. Davis, I. De Bonis, K. De Bruyn, S. De Capua, M. De\n Cian, J.M. De Miranda, L. De Paula, W. De Silva, P. De Simone, D. Decamp, M.\n Deckenhoff, L. Del Buono, N. D\\'el\\'eage, D. Derkach, O. Deschamps, F.\n Dettori, A. Di Canto, F. Di Ruscio, H. Dijkstra, M. Dogaru, S. Donleavy, F.\n Dordei, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya, F. Dupertuis, R.\n Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U. Egede, V. Egorychev, S.\n Eidelman, D. van Eijk, S. Eisenhardt, U. Eitschberger, R. Ekelhof, L. Eklund,\n I. El Rifai, Ch. Elsasser, D. Elsby, A. Falabella, C. F\\\"arber, G. Fardell,\n C. Farinelli, S. Farry, V. Fave, D. Ferguson, V. Fernandez Albor, F. Ferreira\n Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, C. Fitzpatrick, M. Fontana,\n F. Fontanelli, R. Forty, O. Francisco, M. Frank, C. Frei, M. Frosini, S.\n Furcas, E. Furfaro, A. Gallas Torreira, D. Galli, M. Gandelman, P. Gandini,\n Y. Gao, J. Garofoli, P. Garosi, J. Garra Tico, L. Garrido, C. Gaspar, R.\n Gauld, E. Gersabeck, M. Gersabeck, T. Gershon, Ph. Ghez, V. Gibson, V.V.\n Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M.\n Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G.\n Graziani, A. Grecu, E. Greening, S. Gregson, P. Griffith, O. Gr\\\"unberg, B.\n Gui, E. Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G. Haefeli, C. Haen,\n S.C. Haines, S. Hall, T. Hampson, S. Hansmann-Menzemer, N. Harnew, S.T.\n Harnew, J. Harrison, T. Hartmann, J. He, V. Heijne, K. Hennessy, P. Henrard,\n J.A. Hernando Morata, E. van Herwijnen, E. Hicks, D. Hill, M. Hoballah, C.\n Hombach, P. Hopchev, W. Hulsbergen, P. Hunt, T. Huse, N. Hussain, D.\n Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik, P. Ilten, R. Jacobsson, A.\n Jaeger, E. Jans, P. Jaton, F. Jing, M. John, D. Johnson, C.R. Jones, C.\n Joram, B. Jost, M. Kaballo, S. Kandybei, M. Karacson, T.M. Karbach, I.R.\n Kenyon, U. Kerzel, T. Ketel, A. Keune, B. Khanji, O. Kochebina, I. Komarov,\n R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L. Kravchuk, K.\n Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M. Kucharczyk, V.\n Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G. Lafferty, A.\n Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C. Langenbruch,\n T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\`evre,\n A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B. Leverington, Y.\n Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G. Liu, S. Lohn, I.\n Longstaff, J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H. Lu, D. Lucchesi,\n J. Luisier, H. Luo, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S.\n Malde, G. Manca, G. Mancinelli, U. Marconi, R. M\\\"arki, J. Marks, G.\n Martellotti, A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M. Martinelli, D.\n Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev, Z. Mathe, C.\n Matteuzzi, E. Maurice, A. Mazurov, J. McCarthy, A. McNab, R. McNulty, B.\n Meadows, F. Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J.\n Molina Rodriguez, S. Monteil, D. Moran, P. Morawski, M.J. Morello, R.\n Mountain, I. Mous, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster,\n P. Naik, T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neufeld, A.D.\n Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R. Niet, N. Nikitin,\n T. Nikodem, A. Nomerotski, A. Novoselov, A. Oblakowska-Mucha, V. Obraztsov,\n S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, M. Orlandea, J.M. Otalora\n Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano, M. Palutan, J. Panman,\n A. Papanestis, M. Pappagallo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D.\n Patel, M. Patel, G.N. Patrick, C. Patrignani, C. Pavel-Nicorescu, A. Pazos\n Alvarez, A. Pellegrino, G. Penso, M. Pepe Altarelli, S. Perazzini, D.L.\n Perego, E. Perez Trigo, A. P\\'erez-Calero Yzquierdo, P. Perret, M.\n Perrin-Terrin, G. Pessina, K. Petridis, A. Petrolini, A. Phan, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, S. Playfer, M. Plo Casasus, F.\n Polci, G. Polok, A. Poluektov, E. Polycarpo, A. Popov, D. Popov, B. Popovici,\n C. Potterat, A. Powell, J. Prisciandaro, V. Pugatch, A. Puig Navarro, G.\n Punzi, W. Qian, J.H. Rademacker, B. Rakotomiaramanana, M.S. Rangel, I.\n Raniuk, N. Rauschmayr, G. Raven, S. Redford, M.M. Reid, A.C. dos Reis, S.\n Ricciardi, A. Richards, K. Rinnert, V. Rives Molina, D.A. Roa Romero, P.\n Robbe, E. Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A. Romero\n Vidal, J. Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino,\n J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, V. Salustino Guimaraes,\n C. Salzmann, B. Sanmartin Sedes, M. Sannino, R. Santacesaria, C. Santamarina\n Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie,\n D. Savrina, P. Schaack, M. Schiller, H. Schindler, M. Schlupp, M. Schmelling,\n B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B.\n Sciascia, A. Sciubba, M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N.\n Serra, J. Serrano, P. Seyfert, M. Shapkin, I. Shapoval, P. Shatalov, Y.\n Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires,\n R. Silva Coutinho, T. Skwarnicki, N.A. Smith, E. Smith, M. Smith, M.D.\n Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza De Paula, B. Spaan, A.\n Sparkes, P. Spradlin, F. Stagni, S. Stahl, O. Steinkamp, S. Stoica, S. Stone,\n B. Storaci, M. Straticiuc, U. Straumann, V.K. Subbiah, L. Sun, S. Swientek,\n V. Syropoulos, M. Szczekowski, P. Szczypka, T. Szumlak, S. T'Jampens, M.\n Teklishyn, E. Teodorescu, F. Teubert, C. Thomas, E. Thomas, J. van Tilburg,\n V. Tisserand, M. Tobin, S. Tolk, D. Tonelli, S. Topp-Joergensen, N. Torr, E.\n Tournefier, S. Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev, P.\n Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, D. Urner, U. Uwer, V.\n Vagnoni, G. Valenti, R. Vazquez Gomez, P. Vazquez Regueiro, S. Vecchi, J.J.\n Velthuis, M. Veltri, G. Veneziano, M. Vesterinen, B. Viaud, D. Vieira, X.\n Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D. Voong, A. Vorobyev, V.\n Vorobyev, C. Vo\\ss, H. Voss, R. Waldi, R. Wallace, S. Wandernoth, J. Wang,\n D.R. Ward, N.K. Watson, A.D. Webber, D. Websdale, M. Whitehead, J. Wicht, J.\n Wiechczynski, D. Wiedner, L. Wiggers, G. Wilkinson, M.P. Williams, M.\n Williams, F.F. Wilson, J. Wishahi, M. Witek, S.A. Wotton, S. Wright, S. Wu,\n K. Wyllie, Y. Xie, F. Xing, Z. Xing, Z. Yang, R. Young, X. Yuan, O.\n Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y.\n Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Jonathan Harrison", "url": "https://arxiv.org/abs/1304.4518" }
1304.4524
# Investigating Randomly Generated Adjacency Matrices For Their Use In Modeling Wireless Topologies Gautam Bhanage and Sanjit Kaul {gautamb, sanjit}@winlab.rutgers.edu WINLAB, Rutgers University, North Brunswick, NJ 08902, USA ###### Abstract Generation of realistic topologies plays an important role in determining the accuracy and validity of simulation studies. This study presents a discussion to justify why, and how often randomly generated adjacency matrices may not not conform to wireless topologies in the physical world. Specifically, it shows through analysis and random trials that, _more than $90\%$ of times, a randomly generated adjacency matrix will not conform to a valid wireless topology, when it has more than $3$ nodes_. By showing that node triplets in the adjacency graph need to adhere to rules of a geometric vector space, the study shows that the number of randomly chosen node triplets failing consistency checks grow at the order of $O(base^{3})$, where $base$ is the granularity of the distance metric. Further, the study models and presents a probability estimate with which any randomly generated adjacency matrix would fail realization. This information could be used to design simpler algorithms for generating _k-connected_ wireless topologies. ## I Introduction Simulation studies can be easily setup for wired networks by generating a random adjacency matrix for modeling a random topology. As long as finite non- negative entries are chosen for the adjacency matrix, it could be used to represent a valid wired topology. However, in this paper we discuss how, and why this may not hold true in the case of wireless topologies. Specifically, this study addresses the following questions: 1. 1. _Correctness:_ Are randomly generated topologies always valid, if not under what conditions. 2. 2. _Frequency of Failure:_ What percentage of randomly generated matrices are invalid? 3. 3. _Dominant Failure Factor:_ What feature of the matrix decides the probability of the topology being invalid? 4. 4. _Implication:_ Using this understanding, we propose designing algorithms with a relatively direct approach for generating k-connected graphs. Rest of the paper is organized as follows. Section II shows an example where a randomly generated adjacency matrix does not represent a wireless topology. Section III describes the problem statement, and present our approach for determination of valid matrices. Section IV presents a comparison of results from random trials with an approximation generated by our probability function. Finally, we present a brief conclusion. ## II Discussion Figure 1: Mapping problem definition as seen in $\Re^{1}$ space. If we have node B connected to A and C, we cannot have another node D with connectivity to A and C but not connected to B on the number line in $\Re^{1}$ space. ### II-A Example Of An Invalid Wireless Topology We first address the question of whether a randomly generated adjacency matrix can result in a non-realizable wireless topology. Figure 1 shows the positions of three previously mapped points A, B, and C in a one dimensional metric space ($\Re^{1}$). For this problem, we consider that all nodes have similar radio capabilities and can communicate with each other only if they are within _unit_ distance of each other. As per this condition, we have node B connected to nodes A and C. Now consider a case where the adjacency matrix generating the topology in Figure 1 has an additional entry for a fourth node D, which has links to A and C but is not within coverage of node B. Such a wireless topology is physically not possible in the one dimensional metric space ($\Re^{1}$). Note that this problem cannot be solved by using a different channel, since all the nodes will need to be on the same frequency to be connected111We refer to a _connection_ between any nodes 1 and 2, as a general term to signify that 1 and 2 have a significant SNR to communicate with each other. This _connectivity_ is at the layer-1 and is independent of any access control mechanisms used at a higher layer in the network stack.. It is also important to observe that this failure occurs even when we do not have any planarity constraints like requiring non-intersecting graph edges. Non-uniform radio coverage for nodes D and B also fails to solve the problem. This is because both nodes D and B need to be on the line, and a non-uniform radio coverage in either directions (left or right) will result in disconnection from nodes A and/or C. This problem can be extended to all higher dimensions in metric spaces $\Re^{n}$, $n>0$, which could result in invalid physical topologies. The only factor that varies across these dimensions is the nature of the wireless coverage. In $\Re^{1}$, we consider a line of unit (manhattan) distance on each side of the node, in $\Re^{2}$, the coverage can be assumed in the form of a unit circle in the plane (euclidean distance), similarly, a unit sphere in $\Re^{3}$ and so on. ### II-B Problem Statement Now that we have shown an example of an invalid wireless topology generation, we will explicitly define the problem. Consider a network graph G which is generated by a random adjacency matrix $A_{adj}[\texttt{ }]_{n\times n}$, where $n$ denotes the number of nodes in the graph G. The individual entries in $A_{adj}$ will denote the link conditions between corresponding wireless nodes. In this study, given a specific $A_{adj}[\texttt{ }]$, we will define a function _F_() to tell us whether the given adjacency matrix is capable of realizing a valid wireless topology or not: $F:G(A_{adj}[\texttt{ }]_{n\times n})\mapsto\\{Valid,Invalid\\}$ (1) Once determined, _F_() can be used as a test for incrementally adding neighbor nodes to an adjacency matrix for generating _k-connected_ graphs. We also calculate the probability $(P_{F})$ with which _F_() will fail, which could be used as a metric for determining the average number of trials that would be required for valid wireless topology generation. ## III Modeling ### III-A Wireless Topologies $\&$ Vector Spaces To determine _F_() defined above, we briefly discuss why the random adjacency matrix used for Figure 1 fails. If we consider, the first three nodes A, B, C, we observe that they satisfy the triangle inequality requirements in the $\Re^{1}$ metric space. Let $\parallel.\parallel$ represent an arbitrary distance norm. Triangle inequality requirement states that the sum of the lengths of any two sides (say $\parallel x\parallel+\parallel y\parallel$) has to be greater than the third side ($\parallel x+y\parallel$). While mapping the fourth node D, with the requirement $A_{adj}(A,D)=1$, $A_{adj}(D,C)=1$, and $A_{adj}(B,D)=0$, we observe that the triangle inequality fails for the node sets $\\{B,D,A\\}$ and $\\{B,D,C\\}$. Thus using simple triangle inequality as a test for the function $F$, i.e by determining if the generated wireless topology fits in a geometric vector space, we can classify random matrices as representing valid or invalid wireless topologies. ### III-B Estimating Adjacency Matrix Failure Probability $(P_{F})$ A randomly generated adjacency matrix $A_{adj}$ for a wireless topology with $n$ nodes will fail when any one combination of three links fails the triangle inequality check. Hence, the probability of at least one failure is: $P_{F}=1-P_{NF},$ where the $P_{NF}$ is the probability that no combination in the adjacency graphs fails the triangle inequality check. Thus, $P_{F}$ can be calculated as: $P_{F}=1-(1-P_{\triangle})^{N_{pairs}},$ (2) where $N_{pairs}$ denotes the number of combinations of nodes checked in a randomly generated matrix, and $P_{\triangle}$ denotes the probability of failure of the triangle inequality on any random adjacency triplet. We define an _adjacency triplet_ as any single combination of three values $A_{adj}(P,Q)$, $A_{adj}(Q,R)$ and $A_{adj}(P,R)$ that describe link conditions between any three nodes P, Q and R. The $N_{pairs}$ are determined by the number of non-diagonal entries in the adjacency matrix. Since the adjacency matrix is representing a wireless topology, it should be symmetric akin to a metric space distance matrix. Hence, $N_{pairs}=(\frac{n^{2}-n}{2})\times(\frac{n^{2}-n}{2}-1)$. Figure 2: Probability of failure of triangle inequality tests for unique combinations and permutations of side triplets. ### III-C Determining $P_{\triangle}$ To estimate $P_{\triangle}$, we use the complete set of adjacency triplets ($S_{3}$) described as: $\texttt{ }S_{3}=\\{A_{adj}(P,Q),\texttt{ }A_{adj}(Q,R),\texttt{ }A_{adj}(P,R)\\},$ (3) defined $\forall P,Q,R\in A_{adj}$. To determine $P_{\triangle}$ we can either use combinations or permutations on $S_{3}$ to determine failure probability of combinations. For all such possible permutations and combinations over $S_{3}$, we determine $P_{\triangle}$ by calculating the fraction of adjacency triplets that fail strict ($\leq$) and non-strict ($\leq$) triangle inequality checks. While evaluating, we vary the _base_ , which denotes the maximum number of discretized values that can be used to represent the link between two points. E.g. when we chose the base as 1, the link represented in the adjacency matrix can either take the values as 0 (off) or 1(on). If the base is 2, the possible values are 0,1,2 and so on. Results for this model are as described in Figure 2. We observe that the fraction of permutations or combinations resulting in the triangle inequality failure remain fairly constant, irrespective of the increasing number base. Also, we note that the number of combinations being evaluated are growing as $O(base^{3})$. Hence, we conclude that, the number of unique combinations failing are also increasing at $O(base^{3})$ to keep the ratio constant. ## IV Monte Carlo Tests In this section we estimate and compare the probability with which a randomly generated adjacency matrix will fail when mapped as a wireless topology. We compare our failure probability estimate ($P_{F}$) with the failure probability obtained through randomized trials. In these comparisons, we use the discreteness of link qualities (or the discreteness of distance) and the size of wireless topologies as the two varying parameters. ### IV-A Discreteness Of Link Connectivity Representation Figure 3: Probability of failure of a randomly generated adjacency matrix in representing a wireless topology as a function of the discreteness of distance or connectivity. In this test, as with the estimation of $P_{\triangle}$, we vary the maximum number of discretized values (_base_) that can be used to represent the link between two points. Results from our estimates and those from monte-carlo tests are correspondingly marked as _Estimate:*_ and _MTC:*_ in the Figure 3. The results show that our estimate of $P_{F}$ is able to closely match the failure probability obtained from trials of $1000$ randomly generated adjacency matrices for every distance _base_. For all topology sizes: $2,3,4$ (nodes each), we observe that the probability of the matrix failing to conform to a wireless topology ($P_{F}$) can be high when the link connectivity is coarsely described (E.g. on or off). This result is a direct consequence of: $P_{F}\propto P_{\triangle}$. Hence, we observe that as $P_{\triangle}$ stabilizes for higher values of the distance _base_ , $P_{F}$ stabilizes too. Figure 4: Comparison of estimated and observed failure probability as a function of varying topology size. ### IV-B Impact Of Varying Topology Size The size of a topology can be changed by varying the number of nodes. Edges are not explicitly used as a factor for changing topology size since the number and type of edges are randomly decided. In this experiment, we vary the size of the wireless topology from 1 to 10 nodes. For every topology, an edge can have a value uniformly distributed among the number of discretized distance values given by the _base_. We generate $1000$ random matrices for each topology size. As shown in the results in Figure 4 the estimated failure probability $P_{F}$ (denoted by _Estimate:*_) closely matches that obtained from random trials (_MTC:*_). Further, we observe that failure probability quickly approaches 1. This matches with our estimate since, $P_{F}\propto N_{pairs}$, and $N_{pairs}$ increase at least as $O(n^{2})$. An important implication of this result is that as the size of the wireless topology goes beyond $3$ nodes, it is almost certain that a randomly generated adjacency matrix will not conform to a wireless topology. ## V Related Work A class of studies has focussed on enumerating the characteristics of wired networks [1, 2] that need to be taken into consideration while generating topologies from random graphs. Consequently, a parallel area of research is focussed on efficient generation [3] and improvement of the features of random graphs to model real wired networks [4]. With concerns to wireless networks, [5] investigates the impact of spatial distribution of nodes on the minimum node degree, and the k-connectivity in random network graphs. We take a completely opposite view of the problem in determining if a randomly generated adjacency could be used for faithfully representing a realistic wireless topology. ## VI Conclusions This study describes an approach for determining if randomly generated adjacency matrices can conform to wireless topologies in the physical world. It is shown that these random matrices are prone to failure, specially for topologies with more than 3 nodes. Using this information, an alternative approach can be taken for random wireless topology creation. Instead of designing simulation studies based on random placement of nodes and then generating k-connected graphs, algorithms could be designed that would iteratively add nodes to the adjacency graph based on k-connectivity requirements as long as they do not violate constraints of the geometric space. ## References * [1] M. B. Doar and A. Nexion, “A better model for generating test networks,” in _IEEE Global Telecommunications Conf. (Globecomm)_ , 1996, pp. 86–93. * [2] E. Zegura, K. Calvert, and S. Bhattacharjee, “How to model an internetwork,” in _In Proceedings of IEEE INFOCOM_ , 1996, pp. 594–602. * [3] J. Leskovec, D. Chakrabarti, J. Kleinberg, and C. Faloutsos, “Realistic, mathematically tractable graph generation and evolution, using kronecker multiplication,” _Lecture Notes in Computer Science: Knowledge Discovery In Databases_ , vol. 3721, pp. 133–145, 2005. * [4] A. Rodionov and H. Choo, “On generating random network structures: Connected graphs,” _Lecture Notes in Computer Science: Information Networking_ , vol. 3090, pp. 483–491, 2004. * [5] C. Bettstetter, “On the minimum node degree and connectivity of a wireless multihop network,” in _MobiHoc ’02: Proceedings of the 3rd ACM international symposium on Mobile ad hoc networking & computing_. New York, NY, USA: ACM, 2002, pp. 80–91.
arxiv-papers
2013-04-16T17:23:20
2024-09-04T02:49:44.483427
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Gautam Bhanage, Sanjit Kaul", "submitter": "Gautam Bhanage", "url": "https://arxiv.org/abs/1304.4524" }
1304.4530
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) CERN-PH-EP-2013-051 LHCb-PAPER-2013-010 Observation of $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ decays The LHCb collaboration†††Authors are listed on the following pages. The decays $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ are observed for the first time using a dataset, corresponding to an integrated luminosity of 3$\mbox{\,fb}^{-1}$, collected by the LHCb experiment in proton-proton collisions at centre-of-mass energies of $\sqrt{s}$ = 7 and 8$\mathrm{\,Te\kern-1.00006ptV}$. The statistical significance for both signals is in excess of 9 standard deviations. The following ratios of branching fractions are measured to be $\displaystyle\dfrac{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}\right)}{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}\right)}$ $\displaystyle=$ $\displaystyle 2.90\pm 0.57\pm 0.24,$ $\displaystyle\dfrac{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}\right)}{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}\right)}$ $\displaystyle=$ $\displaystyle 2.37\pm 0.56\pm 0.10,$ where the first uncertainties are statistical and the second systematic. The mass of the $\mathrm{B}_{\mathrm{c}}^{+}$ meson is measured to be $m_{\mathrm{B}_{\mathrm{c}}^{+}}=6276.28\pm 1.44\,\mathrm{(stat)}\pm 0.36\,\mathrm{(syst)}{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}},$ using the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ decay mode. Published in Physical Review D. © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen56, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 34, M. Artuso57, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso58, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, M. Benayoun8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani44, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk57, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia57, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton57, N.H. Brook45, H. Brown51, I. Burducea28, A. Bursche39, G. Busetto21,q, J. Buytaert37, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez35,n, A. Camboni35, P. Campana18,37, D. Campora Perez37, A. Carbone14,c, G. Carboni23,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia49, L. Carson52, K. Carvalho Akiba2, G. Casse51, M. Cattaneo37, Ch. Cauet9, M. Charles54, Ph. Charpentier37, P. Chen3,38, N. Chiapolini39, M. Chrzaszcz 25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco40, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15,37, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, B. Couturier37, G.A. Cowan49, D.C. Craik47, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, P. David8, P.N.Y. David40, A. Davis56, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian39, J.M. De Miranda1, L. De Paula2, W. De Silva56, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, D. Derkach14, O. Deschamps5, F. Dettori41, A. Di Canto11, H. Dijkstra37, M. Dogaru28, S. Donleavy51, F. Dordei11, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, R. Dzhelyadin34, A. Dziurda25, A. Dzyuba29, S. Easo48,37, U. Egede52, V. Egorychev30, S. Eidelman33, D. van Eijk40, S. Eisenhardt49, U. Eitschberger9, R. Ekelhof9, L. Eklund50,37, I. El Rifai5, Ch. Elsasser39, D. Elsby44, A. Falabella14,e, C. 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Hartmann59, J. He37, V. Heijne40, K. Hennessy51, P. Henrard5, J.A. Hernando Morata36, E. van Herwijnen37, E. Hicks51, D. Hill54, M. Hoballah5, C. Hombach53, P. Hopchev4, W. Hulsbergen40, P. Hunt54, T. Huse51, N. Hussain54, D. Hutchcroft51, D. Hynds50, V. Iakovenko43, M. Idzik26, P. Ilten12, R. Jacobsson37, A. Jaeger11, E. Jans40, P. Jaton38, F. Jing3, M. John54, D. Johnson54, C.R. Jones46, B. Jost37, M. Kaballo9, S. Kandybei42, M. Karacson37, T.M. Karbach37, I.R. Kenyon44, U. Kerzel37, T. Ketel41, A. Keune38, B. Khanji20, O. Kochebina7, I. Komarov38, R.F. Koopman41, P. Koppenburg40, M. Korolev31, A. Kozlinskiy40, L. Kravchuk32, K. Kreplin11, M. Kreps47, G. Krocker11, P. Krokovny33, F. Kruse9, M. Kucharczyk20,25,j, V. Kudryavtsev33, T. Kvaratskheliya30,37, V.N. La Thi38, D. Lacarrere37, G. Lafferty53, A. Lai15, D. Lambert49, R.W. Lambert41, E. Lanciotti37, G. Lanfranchi18, C. Langenbruch37, T. Latham47, C. Lazzeroni44, R. Le Gac6, J. van Leerdam40, J.-P. Lees4, R. Lefèvre5, A. 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Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57Syracuse University, Syracuse, NY, United States 58Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 59Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ## 1 Introduction The $\mathrm{B}_{\mathrm{c}}^{+}$ meson, the ground state of the $\bar{\mathrm{b}}{}\mathrm{c}$ system, is unique, being the only weakly decaying heavy quarkonium system. Its lifetime [1, 2] is almost three times smaller than that of other beauty mesons, pointing to the important role of the charm quark in weak $\mathrm{B}_{\mathrm{c}}^{+}$ decays. The $\mathrm{B}_{\mathrm{c}}^{+}$ meson was first observed through its semileptonic decay $\mathrm{B}_{\mathrm{c}}^{+}\rightarrow{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}\ell^{+}\upnu_{\ell}\mathrm{X}$ [3]. Only three hadronic modes have been observed so far: $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ [4], $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}{}\uppi^{+}{}\uppi^{-}$ [5] and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}\uppsi{(2\mathrm{S})}{}\uppi^{+}$ [6]. The first observations of the decays $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ are reported in this paper. The leading Feynman diagrams of these decays are shown in Fig. 1. The decay $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ is expected to proceed mainly through spectator and colour-suppressed spectator diagrams. In contrast to decays of other beauty hadrons, the weak annihilation topology is not suppressed and can contribute significantly to the decay amplitude. Figure 1: Feynman diagrams for $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ decays: (a) spectator, (b) colour- suppressed spectator and (c) annihilation topology. Assuming that the spectator diagram dominates and that factorization holds, the following approximations can be established $\displaystyle\mathcal{R}_{\mathrm{D}^{+}_{\mathrm{s}}\mskip-6.0mu/\uppi^{+}}$ $\displaystyle\equiv$ $\displaystyle\dfrac{\Gamma\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}\right)}{\Gamma\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}\right)}\approx\dfrac{\Gamma\left(\mathrm{B}{}\rightarrow{}\overline{\mathrm{D}}{}^{\ast}{}\mathrm{D}^{+}_{\mathrm{s}}\right)}{\Gamma\left(\mathrm{B}{}\rightarrow{}\overline{\mathrm{D}}{}^{\ast}{}\uppi^{+}\right)},$ (1a) $\displaystyle\mathcal{R}_{\mathrm{D}{}^{\ast+}_{\mathrm{s}}\mskip-6.0mu/\mathrm{D}^{+}_{\mathrm{s}}}$ $\displaystyle\equiv$ $\displaystyle\dfrac{\Gamma\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}\right)}{\Gamma\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}\right)}\approx\dfrac{\Gamma\left(\mathrm{B}{}\rightarrow{}\overline{\mathrm{D}}{}^{\ast}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}\right)}{\Gamma\left(\mathrm{B}{}\rightarrow{}\overline{\mathrm{D}}{}^{\ast}{}\mathrm{D}^{+}_{\mathrm{s}}\right)},$ (1b) where $\mathrm{B}$ stands for $\mathrm{B}^{+}$ or $\mathrm{B}^{0}$ and $\overline{\mathrm{D}}{}^{\ast}$ denotes $\overline{\mathrm{D}}^{\ast 0}$ or $\mathrm{D}^{\ast-}$. Phase space corrections amount to ${\cal O}(0.5\%)$ for Eq. (1a) and can be as large as 28% for Eq. (1b), depending on the relative orbital momentum. The relative branching ratios estimated in this way, together with more detailed theoretical calculations, are listed in Table 1, where the branching fractions for the $\mathrm{B}{}\rightarrow{}\overline{\mathrm{D}}{}^{\ast}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}{}\rightarrow{}\overline{\mathrm{D}}{}^{\ast}{}\uppi^{+}$ decays are taken from Ref. [1]. Table 1: Predictions for the ratios of $\mathrm{B}_{\mathrm{c}}^{+}$ meson branching fractions. In the case of $\mathcal{R}_{\mathrm{D}{}^{\ast+}_{\mathrm{s}}\mskip-6.0mu/\mathrm{D}^{+}_{\mathrm{s}}}$ the second uncertainty is related to the unknown relative orbital momentum. $\mathcal{R}_{\mathrm{D}^{+}_{\mathrm{s}}\mskip-6.0mu/\uppi^{+}}$ | $\mathcal{R}_{\mathrm{D}{}^{\ast+}_{\mathrm{s}}\mskip-6.0mu/\mathrm{D}^{+}_{\mathrm{s}}}$ | ---|---|--- $2.90\pm 0.42$ | $2.20\pm 0.35\pm 0.62$ | Eqs. (1) with $\mathrm{B}^{0}$ $1.58\pm 0.34$ | $2.07\pm 0.52\pm 0.52$ | Eqs. (1) with $\mathrm{B}^{+}$ 1.3 | 3.9 | Ref. [7] 2.6 | 1.7 | Ref. [8] 2.0 | 2.9 | Ref. [9] 2.2 | — | Ref. [10] 1.2 | — | Ref. [11] The analysis presented here is based on a data sample, corresponding to an integrated luminosity of 3$\mbox{\,fb}^{-1}$, collected with the LHCb detector during 2011 and 2012 in $\mathrm{pp}$ collisions at centre-of-mass energies of 7 and 8$\mathrm{\,Te\kern-1.00006ptV}$, respectively. The decay $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ is used as a normalization channel for the measurement of the branching fraction $\cal B$($\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$). In addition, the low energy release ($Q$-value) in the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ mode allows a determination of the $\mathrm{B}_{\mathrm{c}}^{+}$ mass with small systematic uncertainty. ## 2 LHCb detector The LHCb detector [12] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $\mathrm{b}$ or $\mathrm{c}$ quarks. The detector includes a high precision tracking system consisting of a silicon-strip vertex detector surrounding the $\mathrm{pp}$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system has momentum resolution $\Delta p/p$ that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter resolution of 20$\,\upmu\rm m$ for tracks with high transverse momentum. Charged hadrons are identified using two ring-imaging Cherenkov detectors. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The trigger [13] consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage which applies a full event reconstruction. This analysis uses events collected by triggers that select the decay products of the dimuon decay of the ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$ meson with high efficiency. At the hardware stage either one or two identified muon candidates are required. In the case of single muon triggers the transverse momentum, $p_{\rm T}$, of the candidate is required to be larger than 1.5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. For dimuon candidates a requirement on the product of the $p_{\rm T}$ of the muon candidates is applied, $\sqrt{\mbox{$p_{\rm T}$}_{1}\mbox{$p_{\rm T}$}_{2}}>1.3{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. At the subsequent software trigger stage, two muons with invariant mass in the interval $2.97<m_{\upmu^{+}\upmu^{-}}<3.21{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ and consistent with originating from a common vertex are required. The detector acceptance and response are estimated with simulated data. Proton-proton collisions are generated using Pythia 6.4 [14] with the configuration described in Ref. [15]. Particle decays are then simulated by EvtGen [16] in which final state radiation is generated using Photos [17]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [18, *Agostinelli:2002hh] as described in Ref. [20]. ## 3 Event selection Track quality of charged particles is ensured by requiring that the $\chi^{2}$ per degree of freedom, $\chi^{2}_{\rm{tr}}/\mathrm{ndf}$, is less than $4$. Further suppression of fake tracks created by the reconstruction is achieved by a neural network trained to discriminate between these and real particles based on information from track fit and hit pattern in the tracking detectors. A requirement on the output of this neural network, $\mathcal{P}_{\mathrm{fake}}<0.5$ allows to reject half of the fake tracks. Duplicate particles created by the reconstruction are suppressed by requiring the symmetrized Kullback-Leibler divergence [21, *Kullback1, *Kullback3], $\Delta^{\rm min}_{\rm KL}$, calculated with respect to all particles in the event, to be in excess of 5000. In addition, the transverse momentum is required to be greater than 550 (250)${\mathrm{\,Me\kern-1.00006ptV\\!/}c}$ for each muon (hadron) candidate. Well identified muons are selected by requiring that the difference in logarithms of the likelihood of the muon hypothesis, as provided by the muon system, with respect to the pion hypothesis, $\Delta^{\upmu/\uppi}\ln\mathcal{L}$ [24], is greater than zero. Good quality particle identification by the ring-imaging Cherenkov detectors is ensured by requiring the momentum of the hadron candidates, $p$, to be between $3.2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and $100{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and the pseudorapidity to be in the range $2<\eta<5$. To select well-identified kaons (pions) the corresponding difference in logarithms of the likelihood of the kaon and pion hypotheses [25] is required to be $\Delta^{\mathrm{K}/\uppi}\ln\mathcal{L}>2(<0)$. These criteria are chosen to be tight enough to reduce significantly the background due to misidentification, whilst ensuring good agreement between data and simulation. To ensure that the hadrons used in the analysis are inconsistent with being directly produced in a pp interaction vertex, the impact parameter $\chi^{2}$, defined as the difference between the $\chi^{2}$ of the reconstructed pp collision vertex formed with and without the considered track, is required to be $\chi^{2}_{\mathrm{IP}}>9$. When more than one vertex is reconstructed, that with the smallest value of $\chi^{2}_{\mathrm{IP}}$ is chosen. As in Refs. [26, 27, 28] the selection of ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\rightarrow{}\upmu^{+}\upmu^{-}$ candidates proceeds from pairs of oppositely-charged muons forming a common vertex. The quality of the vertex is ensured by requiring the $\chi^{2}$ of the vertex fit, $\chi^{2}_{\mathrm{vx}}$, to be less than 30. The vertex is forced to be well separated from the reconstructed pp interaction vertex by requiring the decay length significance, $\mathcal{S}_{\mathrm{flight}}$, defined as the ratio of the projected distance from pp interaction vertex to $\upmu^{+}\upmu^{-}$ vertex on direction of $\upmu^{+}\upmu^{-}$ pair momentum and its uncertainty, to be greater than 3. Finally, the mass of the dimuon combination is required to be within $\pm 45{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the known ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$ mass [1], which corresponds to a $\pm 3.5\sigma$ window, where $\sigma$ is the measured ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$ mass resolution. Candidate $\mathrm{D}^{+}_{\mathrm{s}}$ mesons are reconstructed in the $\mathrm{D}^{+}_{\mathrm{s}}{}\rightarrow\left(\mathrm{K}^{+}{}\mathrm{K}^{-}{}\right)_{\upphi}\uppi^{+}$ mode using criteria similar to those in Ref. [29]. A good vertex quality is ensured by requiring $\chi^{2}_{\mathrm{vx}}<25$. The mass of the kaon pair is required to be consistent with the decay $\upphi{}\rightarrow\mathrm{K}^{+}{}\mathrm{K}^{-}$, $\left|m_{\mathrm{K}^{+}{}\mathrm{K}^{-}}-m_{\upphi}\right|<20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. Finally, the mass of the candidate is required to be within $\pm 20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the known $\mathrm{D}^{+}_{\mathrm{s}}$ mass [1], which corresponds to a $\pm 3.5\sigma$ window, where $\sigma$ is the measured $\mathrm{D}^{+}_{\mathrm{s}}$ mass resolution, and its transverse momentum to be $>1{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. Candidate $\mathrm{B}_{\mathrm{c}}^{+}$ mesons are formed from ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ pairs with transverse momentum in excess of 1${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The candidates should be consistent with being produced in a $\mathrm{pp}$ interaction vertex by requiring $\chi^{2}_{\mathrm{IP}}<9$ with respect to reconstructed pp collision vertices. A kinematic fit is applied to the $\mathrm{B}_{\mathrm{c}}^{+}$ candidates [30]. To improve the mass and lifetime resolution, in this fit, a constraint on the pointing of the candidate to the primary vertex is applied together with mass constraints on the intermediate ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$ and $\mathrm{D}^{+}_{\mathrm{s}}$ states. The value of the ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$ mass is taken from Ref. [1]. For the $\mathrm{D}^{+}_{\mathrm{s}}$ meson the value of $m_{\mathrm{D}^{+}_{\mathrm{s}}}=1968.31\pm 0.20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ is used, that is the average of the values given in Ref. [31] and Ref. [1]. The $\chi^{2}$ per degree of freedom of this fit, $\chi^{2}_{\mathrm{fit}}/\mathrm{ndf}$, is required to be less than $5$. The decay time of the $\mathrm{D}^{+}_{\mathrm{s}}$ candidate, $c\tau\left(\mathrm{D}^{+}_{\mathrm{s}}\right)$, determined by this fit, is required to satisfy $c\tau>75\,\upmu\rm m$. The corresponding signed significance, $\mathcal{S}_{c\tau}$, defined as the ratio of the measured decay time and its uncertainty, is required to be in excess of $3$. Finally, the decay time of the $\mathrm{B}_{\mathrm{c}}^{+}$ candidate, $c\tau\left(\mathrm{B}_{\mathrm{c}}^{+}\right)$, is required to be between $75\,\upmu\rm m$ and 1$\rm\,mm$. The upper edge, in excess of 7 lifetimes of $\mathrm{B}_{\mathrm{c}}^{+}$ meson, is introduced to remove badly recontructed candidates. ## 4 Observation of $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ The mass distribution of the selected $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ candidates is shown in Fig. 2. The peak close to the known mass of the $\mathrm{B}_{\mathrm{c}}^{+}$ meson [1, 32] with a width compatible with the expected mass resolution is interpreted as being due to the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ decay. The wide structure between 5.9 and $6.2{\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ is attributed to the decay $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{\ast+}_{\mathrm{s}}$, followed by $\mathrm{D}^{\ast+}_{\mathrm{s}}\rightarrow{}\mathrm{D}^{+}_{\mathrm{s}}{}\upgamma$ or $\mathrm{D}^{\ast+}_{\mathrm{s}}\rightarrow{}\mathrm{D}^{+}_{\mathrm{s}}{}\uppi^{0}$ decays, where the neutral particles are not detected. The process $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{\ast+}_{\mathrm{s}}$ being the decay of a pseudoscalar particle into two vector particles is described by three helicity amplitudes: $\mathcal{A}_{++}$, $\mathcal{A}_{00}$ and $\mathcal{A}_{--}$, where indices correspond to the helicities of the ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$ and $\mathrm{D}^{\ast+}_{\mathrm{s}}$ mesons. Simulation studies show that the ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$$\mathrm{D}^{+}_{\mathrm{s}}$ mass distributions are the same for the $\mathcal{A}_{++}$ and $\mathcal{A}_{--}$ amplitudes. Thus, the ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$$\mathrm{D}^{+}_{\mathrm{s}}$ mass spectrum is described by a model consisting of the following components: an exponential shape to describe the combinatorial background, a Gaussian shape to describe the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ signal and two helicity components to describe the $\mathrm{B}_{\mathrm{c}}^{+}\rightarrow{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}\mathrm{D}^{\ast+}_{\mathrm{s}}$ contributions corresponding to the $\mathcal{A}_{\pm\pm}$ and $\mathcal{A}_{00}$ amplitudes. The shape of these components is determined using the simulation where the branching fractions for $\mathrm{D}^{\ast+}_{\mathrm{s}}\rightarrow\mathrm{D}^{+}_{\mathrm{s}}\upgamma$ and $\mathrm{D}^{\ast+}_{\mathrm{s}}\rightarrow\mathrm{D}^{+}_{\mathrm{s}}\uppi^{0}$ decays are taken from Ref. [1]. To estimate the signal yields, an extended unbinned maximum likelihood fit to the mass distribution is performed. The correctness of the fit procedure together with the reliability of the estimated uncertainties has been extensively checked using simulation. The fit has seven free parameters: the mass of the $\mathrm{B}_{\mathrm{c}}^{+}$ meson, $m_{\mathrm{B}_{\mathrm{c}}^{+}}$, the signal resolution, $\sigma_{\mathrm{B}_{\mathrm{c}}^{+}}$, the relative amount of the $\mathcal{A}_{\pm\pm}$ helicity amplitudes of total $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ decay rate, $\mathrm{f}_{\pm\pm}$, the slope parameter of the exponential background and the yields of the two signal components, $N_{\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}}$ and $N_{\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}}$, and of the background. The values of the signal parameters obtained from the fit are summarized in Table 2. The fit result is also shown in Fig. 2. Figure 2: Mass distributions for selected ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$$\mathrm{D}^{+}_{\mathrm{s}}$ pairs. The solid curve represents the result of a fit to the model described in the text. The contribution from the $\mathrm{B}_{\mathrm{c}}^{+}\rightarrow{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}\mathrm{D}^{\ast+}_{\mathrm{s}}$ decay is shown with thin green dotted and thin yellow dash-dotted lines for the $\mathcal{A}_{\pm\pm}$ and $\mathcal{A}_{00}$ amplitudes, respectively. The insert shows a zoom of the $\mathrm{B}_{\mathrm{c}}^{+}$ mass region. Table 2: Signal parameters of the unbinned extended maximum likelihood fit to the ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$$\mathrm{D}^{+}_{\mathrm{s}}$ mass distribution. Parameter | Value ---|--- $m_{\mathrm{B}_{\mathrm{c}}^{+}}$ | $\left[{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}\right]$ | $6276.28\pm 1.44\phantom{000}$ $\sigma_{\mathrm{B}_{\mathrm{c}}^{+}}$ | $\left[{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}\right]$ | $\phantom{0}7.0\pm 1.1\phantom{0}$ $N_{\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}}$ | | $28.9\pm 5.6\phantom{0}$ $\dfrac{N_{\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}}}{N_{\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}}}$ | | $2.37\pm 0.56$ $\mathrm{f}_{\pm\pm}$ | $\left[\%\right]$ | $52\pm 20$ To check the result, the fit has been performed with different models for the signal: a double-sided Crystal Ball function [33, 34], and a modified Novosibirsk function [35]. For these tests the tail and asymmetry parameters are fixed using the simulation values, while the parameters representing the peak position and resolution are left free to vary. As alternative models for the background, the product of an exponential function and a fourth-order polynomial function are used. The fit parameters obtained are stable with respect to the choice of the fit model and the fit range interval. The statistical significance for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ signal is estimated from the change in the likelihood function $\mathcal{S}_{\sigma}=\sqrt{2\ln\tfrac{\mathcal{L}_{\mathcal{B}+\mathcal{S}}}{\mathcal{L}_{\mathcal{B}}}}$, where $\mathcal{L}_{\mathcal{B}}$ is the likelihood of a background-only hypothesis and $\mathcal{L}_{\mathcal{B}+\mathcal{S}}$ is the likelihood of a background-plus-signal hypothesis. The significance has been estimated separately for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ signals. To exclude the look- elsewhere effect [36, *Gross:2010], the mass and resolution of the peak are fixed to the values obtained with the simulation. The minimal significance found varying the fit model as described above is taken as the signal significance. The statistical significance for both the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ signals estimated in this way is in excess of 9 standard deviations. The low $Q$-value for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ decay mode allows the $\mathrm{B}_{\mathrm{c}}^{+}$ mass to be precisely measured. This makes use of the $\mathrm{D}^{+}_{\mathrm{s}}$ mass value, evaluated in Sect. 3, taking correctly into account the correlations between the measurements. The calibration of the momentum scale for the dataset used here is detailed in Refs. [38, 31]. It is based upon large calibration samples of $\mathrm{B}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{K}^{+}$ and ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}\rightarrow\upmu^{+}\upmu^{-}$ decays and leads to an accuracy in the momentum scale of $3\times 10^{-4}$. This translates into an uncertainty of 0.30${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ on the $\mathrm{B}_{\mathrm{c}}^{+}$ meson mass. A further uncertainty of 0.11${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ arises from the knowledge of the detector material distribution [38, 31, 32, 39] and the signal modelling. The uncertainty on the $\mathrm{D}^{+}_{\mathrm{s}}$ mass results in a 0.16${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ uncertainty on the $\mathrm{B}_{\mathrm{c}}^{+}$ meson mass. Adding these in quadrature gives $m_{\mathrm{B}_{\mathrm{c}}^{+}}=6276.28\pm 1.44\,\mathrm{(stat)}\pm 0.36\,\mathrm{(syst)}{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}.$ The uncertainty on the $\mathrm{D}^{+}_{\mathrm{s}}$ meson mass and on the momentum scale largely cancels in the mass difference $m_{\mathrm{B}_{\mathrm{c}}^{+}}-m_{\mathrm{D}^{+}_{\mathrm{s}}}=4307.97\pm 1.44\,\mathrm{(stat)}\pm 0.20\,\mathrm{(syst)}{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}.$ ## 5 Normalization to the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ decay mode A large sample of $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ decays serves as a normalization channel to measure the ratio of branching fractions for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ modes. Selection of $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ events is performed in a manner similar to that described in Sect. 3 for the signal channel. To further reduce the combinatorial background, the transverse momentum of the pion for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ mode is required to be in excess of 1${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. The mass distribution of the selected $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ candidates is shown in Fig. 3. Figure 3: Mass distribution for selected $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ candidates. The results of a fit to the model described in the text are superimposed (solid line) together with the background component (dotted line). To determine the yield, an extended unbinned maximum likelihood fit to the mass distribution is performed. The signal is modelled by a double-sided Crystal Ball function and the background with an exponential function. The fit gives a yield of $3009\pm 79$ events. As cross-checks, a modified Novosibirsk function and a Gaussian function for the signal component and a product of exponential and polynomial functions for the background are used. The difference is treated as systematic uncertainty. The ratio of the total efficiencies (including acceptance, reconstruction, selection and trigger) for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ modes is determined with simulated data to be $0.148\pm 0.001$, where the uncertainty is statistical only. As only events explicitly selected by the ${\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}$ triggers are used, the ratio of the trigger efficiencies for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ modes is close to unity. ## 6 Systematic uncertainties Uncertainties on the ratio $\mathcal{R}_{\mathrm{D}^{+}_{\mathrm{s}}\mskip-6.0mu/\uppi^{+}}$ related to differences between the data and simulation efficiency for the selection requirements are studied using the abundant $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ channel. As an example, Fig. 4 compares the distributions of $\chi^{2}_{\mathrm{fit}}(\mathrm{B}_{\mathrm{c}}^{+})$ and $\chi^{2}_{\mathrm{IP}}(\mathrm{B}_{\mathrm{c}}^{+})$ for data and simulated $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ events. For background subtraction the sPlot techinque [40] has been used. It can be seen that the agreement between data and simulation is good. In addition, a large sample of selected $\mathrm{B}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\left(\mathrm{K}^{+}{}\mathrm{K}^{-}\right)_{\upphi}\mathrm{K}^{+}$ events has been used to quantify differences between data and simulation. Based on the deviation, a systematic uncertainty of 1% is assigned. The agreement of the absolute trigger efficiency between data and simulation has been validated to a precision of 4% using the technique described in Refs. [41, 34, 13] with a large sample of $\mathrm{B}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\left(\mathrm{K}^{+}{}\mathrm{K}^{-}\right)_{\upphi}\mathrm{K}^{+}$ events. A further cancellation of uncertainties occurs in the ratio of branching fractions resulting in a systematic uncertainty of $1.1\%$. Figure 4: Distributions of (a) $\chi^{2}_{\mathrm{fit}}(\mathrm{B}_{\mathrm{c}}^{+})$ and (b) $\chi^{2}_{\mathrm{IP}}(\mathrm{B}_{\mathrm{c}}^{+})$ for $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ events: background subtracted data (red points with error bars), and simulation (blue histogram). The systematic uncertainties related to the fit model, in particular to the signal shape, mass and resolution for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ mode and the fit interval have been discussed in Sects. 4 and 5. The main part comes from the normalization channel $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$. Other systematic uncertainties arise from differences in the efficiency of charged particle reconstruction between data and simulation. The largest of these arises from the knowledge of the hadronic interaction probability in the detector, which has an uncertainty of $2\%$ per track [41]. A further uncertainty related to the reconstruction of two additional kaons in the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ mode with respect to the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ mode is estimated to be $2\times 0.6\%$ [42]. Further uncertainties are related to the track quality selection requirements $\chi^{2}_{\mathrm{tr}}<4$ and $\mathcal{P}_{\mathrm{fake}}<0.5$. These are estimated from a comparison of data and simulation in the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ decay mode to be $0.4\%$ per final state track. The uncertainty associated with the kaon identification criteria is studied using the combined $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ signals. The efficiency to identify a kaon pair with a selection on $\Delta^{\mathrm{K}/\uppi}\ln\mathcal{L}$ has been compared for data and simulation for various selection requirements. The comparison shows a $(-1.8\pm 2.9)\%$ difference between data and simulation in the efficiency to identify a kaon pair with $2\leq\min\Delta^{\mathrm{K}/\uppi}\log\mathcal{L}$. This estimate has been confirmed using a kinematically similar sample of reconstructed $\mathrm{B}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\left(\mathrm{K}^{+}{}\mathrm{K}^{-}\right)_{\upphi}\mathrm{K}^{+}$ events. An uncertainty of 3% is assigned. The limited knowledge of the $\mathrm{B}_{\mathrm{c}}^{+}$ lifetime leads to an additional systematic uncertainty due to the different decay time acceptance between the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ decay modes. To estimate this effect, the decay time distributions for simulated events are reweighted to change the $\mathrm{B}_{\mathrm{c}}^{+}$ lifetime by one standard deviation from the known value [1], as well as the value recently measured by the CDF collaboration [2], and the efficiencies are recomputed. An uncertainty of $1\%$ is assigned. Possible uncertainties related to the stability of the data taking conditions are tested by studying the ratio of the yields of $\mathrm{B}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{K}^{+}{}\uppi^{+}\uppi^{-}$ and $\mathrm{B}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{K}^{+}$ decays for different data taking periods and dipole magnet polarities. This results in a further $2.5\%$ uncertainty. The largest systematic uncertainty is due to the knowledge of the branching fraction of the $\mathrm{D}^{+}_{\mathrm{s}}{}\rightarrow{}\left(\mathrm{K}^{-}{}\mathrm{K}^{+}{}\right)_{\upphi}{}\uppi^{+}$ decay, with a kaon pair mass within $\pm 20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the known $\upphi$ meson mass. The value of $(2.24\pm 0.11\pm 0.06)\%$ from Ref.[43] is used in the analysis. The systematic uncertainties on $\mathcal{R}_{\mathrm{D}^{+}_{\mathrm{s}}\mskip-6.0mu/\uppi^{+}}$ are summarized in Table 3. Table 3: Relative systematic uncertainties for the ratio of branching fractions of $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$. Source | Uncertainty $\left[\%\right]$ ---|--- Simulated efficiencies | 1.0 Trigger | 1.1 Fit model | 1.8 Track reconstruction | $2\times 0.6$ Hadron interactions | $2\times 2.0$ Track quality selection | $2\times 0.4$ Kaon identification | 3.0 $\mathrm{B}_{\mathrm{c}}^{+}$ lifetime | 1.0 Stability for various data taking conditions | 2.5 ${\cal B}\left(\mathrm{D}^{+}_{\mathrm{s}}\rightarrow\left(\mathrm{K}^{-}\mathrm{K}^{+}\right)_{\upphi}\uppi^{+}\right)$ | 5.6 Total | 8.4 The ratio $\mathcal{R}_{\mathrm{D}{}^{\ast+}_{\mathrm{s}}\mskip-6.0mu/\mathrm{D}^{+}_{\mathrm{s}}}$ is estimated as $\mathcal{R}_{\mathrm{D}{}^{\ast+}_{\mathrm{s}}\mskip-6.0mu/\mathrm{D}^{+}_{\mathrm{s}}}=\frac{N_{\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}}}{N_{\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}}},$ (2) where the ratio of yields is given in Table 2. The uncertainty associated with the assumption that the efficiencies for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ modes are equal, is evaluated by studying the dependence of the relative yields for these modes for loose (or no) requirements on the $\chi^{2}_{\mathrm{IP}}(\mathrm{B}_{\mathrm{c}}^{+})$, $\chi^{2}_{\mathrm{fit}}(\mathrm{B}_{\mathrm{c}}^{+})$ and $c\tau({}\mathrm{B}_{\mathrm{c}}^{+})$ variables. For this selection the measured ratio of $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ to $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ events changes to $2.27\pm 0.59$. An uncertainty of 4% is assigned to the $\mathcal{R}_{\mathrm{D}{}^{\ast+}_{\mathrm{s}}\mskip-6.0mu/\mathrm{D}^{+}_{\mathrm{s}}}$ ratio. The uncertainty on the fraction of the $\mathcal{A}_{\pm\pm}$ amplitude, $\mathrm{f}_{\pm\pm}$, has been studied with different fit models for the parameterization of the combinatorial background, as well as different mass resolution models. This is negligible in comparison to the statistical uncertainty. ## 7 Results and summary The decays $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ have been observed for the first time with statistical significances in excess of 9 standard deviations. The ratio of branching fractions for $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ is calculated as $\dfrac{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}\right)}{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}\right)}=\dfrac{1}{{\cal B}_{\mathrm{D}^{+}_{\mathrm{s}}}}\times\dfrac{\varepsilon^{\mathrm{tot}}_{\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}}}{\varepsilon^{\mathrm{tot}}_{\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}}}\times\dfrac{N\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}\right)}{N\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}\right)},$ (3) where the value of ${\cal B}_{\mathrm{D}^{+}_{\mathrm{s}}}={\cal B}\left(\mathrm{D}^{+}_{\mathrm{s}}{}\rightarrow{}\left(\mathrm{K}^{-}{}\mathrm{K}^{+}{}\right)_{\upphi}{}\uppi^{+}\right)$ [43] with the mass of the kaon pair within $\pm 20{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the known value of the $\upphi$ mass is used, together with the ratio of efficiencies, and the signal yields given in Sects. 4 and 5. This results in $\dfrac{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}\right)}{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}\right)}=2.90\pm 0.57\,\mathrm{(stat)}\pm 0.24\,\mathrm{(syst)}.$ The value obtained is in agreement with the naïve expectations given in Eq. (1a) from $\mathrm{B}^{0}$ decays, and the values from Refs. [8, 10, 9] but larger than predictions from Refs. [7, 11] and factorization expectations from $\mathrm{B}^{+}$ decays. The ratio of branching fractions for the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ and $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}$ decays is measured to be $\dfrac{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}\right)}{{\cal B}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}^{+}_{\mathrm{s}}\right)}=2.37\pm 0.56\,\mathrm{(stat)}\pm 0.10\,\mathrm{(syst)}.$ This result is in agreement with the naïve factorization hypothesis (Eq. (1b)) and with the predictions of Refs. [9, 8]. The fraction of the $\mathcal{A}_{\pm\pm}$ amplitude in the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}$ decay is measured to be $\dfrac{\Gamma_{\pm\pm}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}\right)}{\Gamma_{\mathrm{tot}}\left(\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\mathrm{D}{}^{\ast+}_{\mathrm{s}}\right)}=(52\pm 20)\%,$ in agreement with a simple estimate of $\tfrac{2}{3}$, the measurements [44, 45] and factorization predictions [46] for $\mathrm{B}^{0}\rightarrow\mathrm{D}^{*-}\mathrm{D}_{\mathrm{s}}^{\ast+}$ decays, and expectations for $\mathrm{B}_{\mathrm{c}}^{+}\rightarrow{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}\ell^{+}\upnu_{\ell}$ decays from Refs. [47, 48]. The mass of the $\mathrm{B}_{\mathrm{c}}^{+}$ meson and the mass difference between the $\mathrm{B}_{\mathrm{c}}^{+}$ and $\mathrm{D}^{+}_{\mathrm{s}}$ mesons are measured to be $\displaystyle m_{\mathrm{B}_{\mathrm{c}}^{+}}$ $\displaystyle=$ $\displaystyle 6276.28\pm 1.44\,\mathrm{(stat)}\pm 0.36\,\mathrm{(syst)}{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}},$ $\displaystyle m_{\mathrm{B}_{\mathrm{c}}^{+}}-m_{\mathrm{D}^{+}_{\mathrm{s}}}$ $\displaystyle=$ $\displaystyle 4307.97\pm 1.44\,\mathrm{(stat)}\pm 0.20\,\mathrm{(syst)}{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}.$ The $\mathrm{B}_{\mathrm{c}}^{+}$ mass measurement is in good agreement with the previous result obtained by LHCb in the $\mathrm{B}_{\mathrm{c}}^{+}{}\rightarrow{}{\mathrm{J}\mskip-3.0mu/\mskip-2.0mu\uppsi\mskip 2.0mu}{}\uppi^{+}$ mode [32] and has smaller systematic uncertainty. ## Acknowledgements We thank A. Luchinsky and A.K. Likhoded for advice on aspects of $\mathrm{B}_{\mathrm{c}}^{+}$ physics. We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). 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arxiv-papers
2013-04-16T17:34:58
2024-09-04T02:49:44.488784
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, M. Benayoun, G.\n Bencivenni, S. Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M.\n van Beuzekom, A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T.\n Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W.\n Bonivento, S. Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T.\n Brambach, J. van den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton,\n N.H. Brook, H. Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S.\n Cadeddu, O. Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, D.\n Campora Perez, A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H.\n Carranza-Mejia, L. Carson, K. Carvalho Akiba, G. Casse, M. Cattaneo, Ch.\n Cauet, M. Charles, Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K.\n Ciba, X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, B.\n Couturier, G.A. Cowan, D.C. Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P.\n David, P.N.Y. David, A. Davis, I. De Bonis, K. De Bruyn, S. De Capua, M. De\n Cian, J.M. De Miranda, L. De Paula, W. De Silva, P. De Simone, D. Decamp, M.\n Deckenhoff, L. Del Buono, D. Derkach, O. Deschamps, F. Dettori, A. Di Canto,\n H. Dijkstra, M. Dogaru, S. Donleavy, F. Dordei, A. Dosil Su\\'arez, D.\n Dossett, A. Dovbnya, F. Dupertuis, R. Dzhelyadin, A. Dziurda, A. Dzyuba, S.\n Easo, U. Egede, V. Egorychev, S. Eidelman, D. van Eijk, S. Eisenhardt, U.\n Eitschberger, R. Ekelhof, L. Eklund, I. El Rifai, Ch. Elsasser, D. Elsby, A.\n Falabella, C. F\\\"arber, G. Fardell, C. Farinelli, S. Farry, V. Fave, D.\n Ferguson, V. Fernandez Albor, F. Ferreira Rodrigues, M. Ferro-Luzzi, S.\n Filippov, M. Fiore, C. Fitzpatrick, M. Fontana, F. Fontanelli, R. Forty, O.\n Francisco, M. Frank, C. Frei, M. Frosini, S. Furcas, E. Furfaro, A. Gallas\n Torreira, D. Galli, M. Gandelman, P. Gandini, Y. Gao, J. Garofoli, P. Garosi,\n J. Garra Tico, L. Garrido, C. Gaspar, R. Gauld, E. Gersabeck, M. Gersabeck,\n T. Gershon, Ph. Ghez, V. Gibson, V.V. Gligorov, C. G\\\"obel, D. Golubkov, A.\n Golutvin, A. Gomes, H. Gordon, M. Grabalosa G\\'andara, R. Graciani Diaz, L.A.\n Granado Cardoso, E. Graug\\'es, G. Graziani, A. Grecu, E. Greening, S.\n Gregson, O. Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C.\n Hadjivasiliou, G. Haefeli, C. Haen, S.C. Haines, S. Hall, T. Hampson, S.\n Hansmann-Menzemer, N. Harnew, S.T. Harnew, J. Harrison, T. Hartmann, J. He,\n V. Heijne, K. Hennessy, P. Henrard, J.A. Hernando Morata, E. van Herwijnen,\n E. Hicks, D. Hill, M. Hoballah, C. Hombach, P. Hopchev, W. Hulsbergen, P.\n Hunt, T. Huse, N. Hussain, D. Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik,\n P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, P. Jaton, F. Jing, M. John, D.\n Johnson, C.R. Jones, B. Jost, M. Kaballo, S. Kandybei, M. Karacson, T.M.\n Karbach, I.R. Kenyon, U. Kerzel, T. Ketel, A. Keune, B. Khanji, O. Kochebina,\n I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L.\n Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M.\n Kucharczyk, V. Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G.\n Lafferty, A. Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C.\n Langenbruch, T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees,\n R. Lef\\`evre, A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B.\n Leverington, Y. Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G.\n Liu, S. Lohn, I. Longstaff, J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H.\n Lu, D. Lucchesi, J. Luisier, H. Luo, F. Machefert, I.V. Machikhiliyan, F.\n Maciuc, O. Maev, S. Malde, G. Manca, G. Mancinelli, U. Marconi, R. M\\\"arki,\n J. Marks, G. Martellotti, A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M.\n Martinelli, D. Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev,\n Z. Mathe, C. Matteuzzi, E. Maurice, A. Mazurov, J. McCarthy, A. McNab, R.\n McNulty, B. Meadows, F. Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N.\n Minard, J. Molina Rodriguez, S. Monteil, D. Moran, P. Morawski, M.J. Morello,\n R. Mountain, I. Mous, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B.\n Muster, P. Naik, T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N.\n Neufeld, A.D. Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R.\n Niet, N. Nikitin, T. Nikodem, A. Nomerotski, A. Novoselov, A.\n Oblakowska-Mucha, V. Obraztsov, S. Oggero, S. Ogilvy, O. Okhrimenko, R.\n Oldeman, M. Orlandea, J.M. Otalora Goicochea, P. Owen, A. Oyanguren, B.K.\n Pal, A. Palano, M. Palutan, J. Panman, A. Papanestis, M. Pappagallo, C.\n Parkes, C.J. Parkinson, G. Passaleva, G.D. Patel, M. Patel, G.N. Patrick, C.\n Patrignani, C. Pavel-Nicorescu, A. Pazos Alvarez, A. Pellegrino, G. Penso, M.\n Pepe Altarelli, S. Perazzini, D.L. Perego, E. Perez Trigo, A. P\\'erez-Calero\n Yzquierdo, P. Perret, M. Perrin-Terrin, G. Pessina, K. Petridis, A.\n Petrolini, A. Phan, E. Picatoste Olloqui, B. Pietrzyk, T. Pila\\v{r}, D.\n Pinci, S. Playfer, M. Plo Casasus, F. Polci, G. Polok, A. Poluektov, E.\n Polycarpo, D. Popov, B. Popovici, C. Potterat, A. Powell, J. Prisciandaro, V.\n Pugatch, A. Puig Navarro, G. Punzi, W. Qian, J.H. Rademacker, B.\n Rakotomiaramanana, M.S. Rangel, I. Raniuk, N. Rauschmayr, G. Raven, S.\n Redford, M.M. Reid, A.C. dos Reis, S. Ricciardi, A. Richards, K. Rinnert, V.\n Rives Molina, D.A. Roa Romero, P. Robbe, E. Rodrigues, P. Rodriguez Perez, S.\n Roiser, V. Romanovsky, A. Romero Vidal, J. Rouvinet, T. Ruf, F. Ruffini, H.\n Ruiz, P. Ruiz Valls, G. Sabatino, J.J. Saborido Silva, N. Sagidova, P. Sail,\n B. Saitta, C. Salzmann, B. Sanmartin Sedes, M. Sannino, R. Santacesaria, C.\n Santamarina Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta,\n M. Savrie, D. Savrina, P. Schaack, M. Schiller, H. Schindler, M. Schlupp, M.\n Schmelling, B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune, R.\n Schwemmer, B. Sciascia, A. Sciubba, M. Seco, A. Semennikov, K. Senderowska,\n I. Sepp, N. Serra, J. Serrano, P. Seyfert, M. Shapkin, I. Shapoval, P.\n Shatalov, Y. Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V.\n Shevchenko, A. Shires, R. Silva Coutinho, T. Skwarnicki, N.A. Smith, E.\n Smith, M. Smith, M.D. Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza\n De Paula, B. Spaan, A. Sparkes, P. Spradlin, F. Stagni, S. Stahl, O.\n Steinkamp, S. Stoica, S. Stone, B. Storaci, M. Straticiuc, U. Straumann, V.K.\n Subbiah, S. Swientek, V. Syropoulos, M. Szczekowski, P. Szczypka, T. Szumlak,\n S. T'Jampens, M. Teklishyn, E. Teodorescu, F. Teubert, C. Thomas, E. Thomas,\n J. van Tilburg, V. Tisserand, M. Tobin, S. Tolk, D. Tonelli, S.\n Topp-Joergensen, N. Torr, E. Tournefier, S. Tourneur, M.T. Tran, M. Tresch,\n A. Tsaregorodtsev, P. Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, D.\n Urner, U. Uwer, V. Vagnoni, G. Valenti, R. Vazquez Gomez, P. Vazquez\n Regueiro, S. Vecchi, J.J. Velthuis, M. Veltri, G. Veneziano, M. Vesterinen,\n B. Viaud, D. Vieira, X. Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D.\n Voong, A. Vorobyev, V. Vorobyev, C. Vo\\ss, H. Voss, R. Waldi, R. Wallace, S.\n Wandernoth, J. Wang, D.R. Ward, N.K. Watson, A.D. Webber, D. Websdale, M.\n Whitehead, J. Wicht, J. Wiechczynski, D. Wiedner, L. Wiggers, G. Wilkinson,\n M.P. Williams, M. Williams, F.F. Wilson, J. Wishahi, M. Witek, S.A. Wotton,\n S. Wright, S. Wu, K. Wyllie, Y. Xie, F. Xing, Z. Xing, Z. Yang, R. Young, X.\n Yuan, O. Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C.\n Zhang, Y. Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Ivan Belyaev", "url": "https://arxiv.org/abs/1304.4530" }
1304.4542
# Spintronics in ${\rm MoS}_{2}$ monolayer quantum wires Jelena Klinovaja Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel, Switzerland Daniel Loss Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel, Switzerland ###### Abstract We study analytically and numerically spin effects in ${\rm MoS}_{2}$ monolayer armchair quantum wires and quantum dots. The interplay between intrinsic and Rashba spin orbit interactions induced by an electric field leads to helical modes, giving rise to spin filtering in time-reversal invariant systems. The Rashba spin orbit interaction can also be generated by spatially varying magnetic fields. In this case, the system can be in a helical regime with nearly perfect spin polarization. If such a quantum wire is brought into proximity to an $s$-wave superconductor, the system can be tuned into a topological phase, resulting in midgap Majorana fermions localized at the wire ends. ###### pacs: 71.70.Ej, 85.75.-d, 73.63.Kv, 78.67.-n Introduction. Atomic monolayers such as graphene sheets Novoselov_2009 have attracted much attention over the years. However, the small spin orbit interaction (SOI) in graphene makes spin effects negligibly small. kane_mele ; cnt_ext_kuemmeth ; klinovaja_cnt ; cnt_helical_2011 ; kane_mele ; izumida ; fabian In contrast, transition-metal dichalcogenide semiconductors, frindt_mos ; Morrison_mos ; mos_nanotubes ; mos_ribbons ; mos_Fuhrer ; mos_gap ; mos_ribbons_defects ; mos_transistor ; mos_etching ; mos_steele ; mos_sc ; MOS_review in particular ${\rm MoS}_{2}$, possess giant values of SOI. MOS_review Combined with a direct band gap this SOI makes these materials attractive for optical effects. monolayer_optics_exp_2010 ; Zeng_optics_exp_2012 ; optics_Nature ; Yao_2012 ; Niu_valley_Hall_2007 ; Niu_optics_rules_2008 However, previous work emphasized valleytronics in ${\rm MoS}_{2}$, Niu_valley_Hall_2007 ; Niu_optics_rules_2008 while the spin degrees of freedom have received much less attention, despite the fact that these materials can be expected to display interesting spintronics effects, such as helical states in quantum wires, Majorana fermions, spin qubits in quantum dots, electrical control of spin, etc. This gap of understanding has motivated the present work where we will propose and analyze spin effects specifically for quantum confined structures in ${\rm MoS}_{2}$ monolayers. One of our main findings is that the intrinsic SOI needs to be complemented by Rashba-like SOI to obtain interesting spin effects in the conduction band. In particular, we will focus on suitably defined quantum wires of armchair type and show that they allow for helical modes, with and without time-reversal symmetry. The Rashba-like interaction can be generated by breaking structure inversion symmetry with gates or adatoms or, alternatively, by nanomagnets with alternating magnetization direction. Helical modes serve as basis for spin filters streda but also as platform for exotic quantum states such as Majorana fermions alicea_review_2012 or fractionally charged fermions. Two_field_Klinovaja We finally discuss quantum dots with well-defined Kramers doublets that can serve as spin qubits. kloeffel_prospects_2013 Figure 1: (a) The ${\rm MoS}_{2}$ monolayer lattice consists of ${\rm Mo}$ (large green dots) each connected to six ${\rm S}$ (small blue dots). The armchair quantum wire in the monolayer can be formed by metallic gates (yellow area) that fix the propagation direction (defined as the $y$ axis) to be perpendicular to one of the lattice translation vectors, say $\bf a_{1}$ (red arrow). (b) Brillouin zone where the valleys $K$ and $-K$ lie on the $k_{x}$ axis which is perpendicular to the direction of propagation given by the $k_{y}$ axis. Note that the boundaries of a ${\rm MoS}_{2}$ flake are not important for this setup. Figure 2: (a) The energy spectrum of $H_{0}$ [$\epsilon(\tilde{k}_{y})\equiv E(\sqrt{3}k_{y}a)-\Delta$] for a quantum wire of width $W=50a$ as obtained by numerical diagonalization. Parameters are chosen as $t=1.27\ {\rm eV}$, $\Delta=0.83\ {\rm eV}$, and $a=0.32\ {\rm nm}$. All levels are degenerate only in spin. This spectrum is in good agreement with our analytical predictions, see Eq. (3). (b) The Rashba SOI term $H_{Rx}$, $\alpha_{R}=10\ {\rm meV}$, lifts the spin-degeneracy and results in the spin-dependent shift of the wavevector $\tilde{k}_{y}$. (c) The remaining SOI terms: intrinsic SOI $H_{so}$, $\alpha=38\ {\rm meV}$, and Rashba SOI $H_{Ry}$, $\alpha_{R}=10\ {\rm meV}$, lead to the anticrossings in the spectrum (red dashed circles). Bandstructure. A molybdenum disulphide (${\rm MoS}_{2}$) monolayer consists of two layers of ${\rm S}$ atoms stacked over each other forming an effective trigonal lattice and of $\rm Mo$ atoms located in the center of the sulphur lattice, see Fig. 1a. The Brillouin zone consists of a hexagon with two nonequivalent corners (valleys) at $\mathbf{K}$ $(\tau_{z}=1)$ and $-\mathbf{K}$ $(\tau_{z}=-1)$ (see Fig. 1b) that determine the low energy spectrum of the monolayer. Eriksson_2009_cones ; Yao_2012 ; dft_mos_2012 ; Ataca_chemistry ; kuc_2011 This part of the spectrum is dominated by three $d$ orbitals of ${\rm Mo}$: the conduction band by $\left|\psi_{c}\right\rangle=\left|d_{z^{2}}\right\rangle$ and the valence band by $\left|\psi_{v}^{\tau_{z}}\right\rangle=(\left|d_{x^{2}-y^{2}}\right\rangle+i\tau_{z}\left|d_{xy}\right\rangle)/\sqrt{2}$. The effective Hamiltonian is given by $\displaystyle H_{0}=\hbar\upsilon_{F}(k_{x}\tau_{z}\sigma_{1}+k_{y}\sigma_{2})+\Delta\sigma_{3},$ (1) where the Pauli matrices $\sigma_{i}$ act on the $d$ orbital space. The momenta $k_{x}$ and $k_{y}$ are calculated from the corresponding valley characterized by $\tau_{z}$. Here, $\upsilon_{F}\approx 0.53\times 10^{6}\ {\rm m/s}$ is the Fermi velocity and the mass term, $\Delta\approx 830\ {\rm meV}$, arising from broken inversion symmetry, has been extracted from DFT calculations. Yao_2012 The spectrum of $H_{0}$ is given by $E_{c,v}=\pm\sqrt{(\hbar\upsilon_{F})^{2}(k_{x}^{2}+k_{y}^{2})+\Delta^{2}}$. The large gap $2\Delta$ between the valence and conduction bands makes the monolayer attractive for optical effects. monolayer_optics_exp_2010 ; Niu_optics_rules_2008 ; Zeng_optics_exp_2012 ; optics_Nature ; Yao_2012 The wavefunctions at fixed energy $E$ and momentum $k_{y}$ are written in the basis $(\psi_{c},\psi_{v}^{\tau_{z}})$ as $\psi_{\tau_{z},p}(x)=e^{i(\tau_{z}K+pk_{x})x+ik_{y}y}\begin{pmatrix}b_{\tau_{z},p}\\\ 1\end{pmatrix}_{{\tau_{z}}},$ (2) where $b_{\tau_{z},p}=\hbar\upsilon_{F}(\tau_{z}pk_{x}-ik_{y})/({E-\Delta})$, $k_{x}>0$, and the index $p$ labels right- and left- movers in $x$ direction. We focus now on the quasi-one-dimensional limit where the system forms a quantum wire. Similarly to carbon-based materials, nanoribbon_KL ; bilayer_MF_2012 this quantum regime can be achieved in two ways: either by growing a nanoribbon of $\rm MoS_{2}$ with particular boundaries or by electrostatically confining the electrons into a quantum wire by placing metallic gates on a $\rm MoS_{2}$ monolayer flake (with unspecified boundaries), see Fig. 1. In both cases we consider the armchair regime where the direction of propagation is perpendicular to a lattice translation vector. The details of the boundaries are not essential provided that they do not suppress the transport. In addition, we assume for both cases hard-wall type boundary conditions. A most characteristic feature of such armchair quantum wires is that the two valleys [$\pm\mathbf{K}=(\pm 4\pi/3a,0)$], projected onto the propagation direction along the $y$ axis, coincide at $k=0$. The valleys easily hybridize (lifting their degeneracy), for instance, by impurities, irregular boundaries or, in particular, by our hard-wall boundaries. brey_2006 ; nanoribbon_KL We determine now the spectrum for a quantum wire of width $W=Na$, where $a$ is the lattice constant and $N$ the number of unit cells in the $x$ direction. To find the quantization conditions on $k_{x}$, we virtually extend our quantum wire by two sides, $W^{\prime}=(N+2)a$, and impose the boundary conditions at these virtual sites on the total wavefunction $\psi(x)=\sum_{\tau_{z},p}a_{\tau_{z},p}\psi_{\tau_{z},p}(x)\equiv\sum_{j}\psi_{j}(x)$, where $\psi_{j}(x)$ is the probability amplitude to find the electron in one of the orthogonal states $j=d_{z^{2}},d_{x^{2}-y^{2}},d_{xy}$. This gives us $six$ conditions (three at each edge) for four fundamental solutions [see Eq. (2)]. To solve this overconstrained boundary value problem we use mixed boundary conditions. On the orbitals $d_{z^{2}}$ and $d_{x^{2}-y^{2}}$ we impose Dirichlet boundary conditions, $\psi_{d_{z^{2}},d_{x^{2}-y^{2}}}(x=0,W^{\prime})=0$, while on the orbital $d_{xy}$ we impose von Neumann boundary conditions, $\partial_{x}\psi_{d_{xy}}(x=0,W^{\prime})=0$. These boundary conditions can be fulfilled only for those values of $k_{x}=|\kappa_{m}|$ that satisfy $(K+\kappa_{m})W^{\prime}=\pi m$, where $m$ is an integer. If $W=(3M+1)a$, where $M$ is a positive integer, this leads to $\kappa_{m}=\pi m/W^{\prime}$. We note that in this case all energy levels except the lowest one in the conduction band and the highest one in the valence band are two-fold degenerate. If $W=(3M+2)a$ [$W=3Ma$], this leads to $\kappa_{m}=(\pi m+2\pi/3)/W^{\prime}$ [$\kappa_{m}=(\pi m-2\pi/3)/W^{\prime}$]. In this case, the energy levels are non-degenerate. The conduction band spectrum for small momenta is quadratic, $E_{c,w}=\sqrt{(\hbar\upsilon_{F}\kappa_{m})^{2}+(\hbar\upsilon_{F}k_{y})^{2}+\Delta^{2}}\approx\Delta_{m}+\frac{(\hbar\upsilon_{F}k_{y})^{2}}{2\Delta_{m}},$ (3) where we define the minimum energy for the $m$th subband as $\Delta_{m}=\sqrt{(\hbar\upsilon_{F}\kappa_{m})^{2}+\Delta^{2}}$, see Fig. 2a. We note that the slope of the spectrum branches at small momenta is decreasing with increasing $m$, resulting in crossings of different subbands, see Fig. 2c. The corresponding wavefunction is given by $\displaystyle\psi_{m}(x)=\psi_{1,p}(x)-\psi_{-1,-p}(x),$ (4) where $p={\rm sgn}\kappa_{m}$. Again, we note that for $W=(3M+1)a$ the subbands $m$ and $-m$ have the same energy. To confirm our analytical results numerically, we develop a tight-binding model for a honeycomb lattice composed of two kinds of atoms, $A$ (representing $d_{z^{2}}$ orbitals) and $B$ (representing $d_{x^{2}-y^{2}}+i\tau_{z}d_{xy}$ orbitals). The effective Hamiltonian $\bar{H}_{0}$ consists of an on-site energy term and a term describing hopping between nearest neighbours, respectively, $\bar{H}_{0}=\sum_{i}\varepsilon_{i}c_{i\mu}^{\dagger}c_{i\mu}+\sum_{<ij>}t_{ij}c_{i\mu}^{\dagger}c_{j\mu},$ (5) where $c_{i\mu}^{\dagger}$ creates an electron with spin $\mu$ at site $i$. The on-site energy $\varepsilon_{i}$ is equal to $\Delta$ ($-\Delta$) on $A$ ($B$) sublattice. The hopping matrix element $t_{ij}$ is assumed to be uniform, $t_{ij}\equiv t=2\hbar\upsilon_{F}/\sqrt{3}a$. The Hamiltonians $H_{0}$ and $\bar{H}_{0}$ are equivalent for momenta close to $\pm\mathbf{K}$ and result in the same low energy spectrum, see Fig. 2a. Intrinsic spin orbit interaction. The intrinsic spin orbit interaction in $\rm MoS_{2}$ monolayer is much larger than in other monolayers, for example, in graphene, arising from $d$ orbitals of the heavier atom. Symmetry arguments confirmed by DFT calculations lead to the intrinsic SOI Hamiltonian of the form Yao_2012 $H_{so}=\alpha\tau_{z}s_{z}(1-\sigma_{3}),$ (6) where Pauli matrices $s_{i}$ act on spin space, and $\alpha=38\ {\rm meV}$ is the SOI strength. Rashba spin orbit interaction. Breaking of structure inversion symmetry by an electric field $\mathbf{E}$ along the $z$ axis perpendicular to the monolayer leads to a Rashba term of the form kane_mele $H_{R}=H_{Rx}+H_{Ry}$, $H_{Rx}=-\alpha_{R}s_{x}\sigma_{2},\ \ H_{Ry}=\alpha_{R}\tau_{z}s_{y}\sigma_{1},$ (7) where the Rashba SOI strength, in general, is proportional to the electric field strength. Such an electric field could be produced by gates kane_mele or by doping with adatoms. Franz_2012 ; Rashba_2012 For both cases, $\alpha_{R}$ is best determined by ab initio calculations or experimentally. An alternative way to generate Rashba SOI is to apply a spatially varying magnetic field, Braunecker_Jap_Klin_2009 produced, for instance, by nanomagnets. exp_field ; Flensberg_Rot_Field For example, a magnetic field ${\bf B}_{n}$ rotating in the plane of a quantum wire produces the Zeeman term $H_{Z}^{\parallel}=\Delta_{Z}[s_{x}\cos(k_{n}y)+s_{y}\sin(k_{n}y)],$ (8) where $\Delta_{Z}=g\mu_{B}B_{n}/2$, and the period of the rotating field is $\lambda_{n}=2\pi/k_{n}$. The unitary spin-dependent transformation $U_{n}=\exp(-ik_{n}ys_{z}/2)$ allows us to gauge away the coordinate dependent term $H_{Z}^{\parallel}$ in the Hamiltonian $H=H_{0}+H_{so}+H_{Z}^{\parallel}$. This results in $H_{n}=U_{n}^{\dagger}HU_{n}$, $\displaystyle H_{n}=H_{0}+H_{so}-\alpha_{Rn}s_{z}\sigma_{2}+\Delta_{Z}s_{x},$ (9) where $\alpha_{Rn}=\hbar\upsilon_{F}k_{n}/2$, so the strength of the induced Rashba SOI depends only on the rotation period $\lambda_{n}$ but not on the magnetic field strength $B_{n}$. We note that the induced Rashba SOI described by $H_{Rn}=-\alpha_{Rn}s_{z}\sigma_{2}$ reaches $\alpha_{Rn}\approx 11\ {\rm meV}$ for the nanomagnets placed with a period $\lambda_{n}=100\ {\rm nm}$. Here we note that for a quantum wire created by gates we can estimate that the misalignment angle should be less than $a/\lambda_{n}$ (i.e. $\lesssim 1^{\circ}$). bilayer_MF_2012 If one works with a nanoribbon, then the propagation in the armchair or zigzag direction should be favoured by the growth process. nanoribbon_production ; nanoribbon_production_CNT We note that also a Zeeman term $H_{Z}=\Delta_{Z}s_{x}$, which breaks the time- reversal invariance of the system, inevitably arises. To account for the Rashba SOI of Eq. (7) in the tight-binding model, we allow for spin-flip hoppings, kane_mele ; nanoribbon_KL $\bar{H}_{R}=\frac{3i\alpha_{R}}{4}\sum_{<ij>,\mu,\mu^{\prime}}c_{i\mu}^{\dagger}({\boldsymbol{e}}_{ij}\times{\boldsymbol{e}}_{z})\cdot{\mathbf{s}}_{\mu\mu^{\prime}}c_{j\mu^{\prime}},$ (10) where ${\mathbf{s}}=(s_{x},s_{y},s_{z})$, and where the unit vectors ${\boldsymbol{e}}_{z}$ points along $z$ and ${\boldsymbol{e}}_{ij}$ along the bond connecting sites $i$ and $j$. The intrinsics SOI, see Eq. (6), can be modeled by $\bar{H}_{so}=\frac{2i\alpha}{3\sqrt{3}}\sum_{\ll ij\gg,\mu,\mu^{\prime}}\nu_{ij}c_{i\mu}^{\dagger}s_{z,\mu\mu^{\prime}}c_{j\mu^{\prime}},$ (11) where the sum runs over the next-nearest neighbour sites belonging to the $B$ sublattice. The spin dependent amplitude $\nu_{ij}=-\nu_{ji}=\pm 1$ depends on whether the electron takes a right or left turn by hopping from $i$ to $j$. kane_mele These two terms $\bar{H}_{so}$ and $\bar{H}_{R}$ are constructed in such a way that they are equivalent to $H_{so}$ and ${H}_{R}$ in the low- energy sector. We note that by taking only part of $\bar{H}_{R}$ and changing $s_{x}$ to $s_{z}$, we can model $H_{Rn}$. The Zeeman term $H_{z}$ is given by $\bar{H}_{Z}=\Delta_{Z}\sum_{i,\mu,\mu^{\prime}}c_{i\mu}^{\dagger}{s}_{x,\mu\mu^{\prime}}c_{i\mu^{\prime}}.$ (12) Spectrum with SOI. A part of the Rashba SOI, $H_{Rx}$ ($H_{Rn}$), can be easily included in $H_{0}$. The spin $s_{x}$ ($s_{z}$) is a good quantum number for the Hamiltonian $H_{0}+H_{Rx}$ ($H_{0}+H_{Rn}$). In this case, the SOI only results in the spin-dependent shift of the momentum, $k_{y}\to k_{y}-s_{x}\alpha_{R}/\hbar\upsilon_{F}$ ($k_{y}\to k_{y}-s_{z}\alpha_{Rn}/\hbar\upsilon_{F}$), see Fig. 2b. Next, we treat the remaining SOI terms, $H^{\prime}=H_{so}+H_{Ry}$ ($H_{so}$), as a perturbation. We note that $H^{\prime}$ ($H_{so}$) is proportional to $\tau_{z}$. At the same time, the wavefunctions $\psi_{m}(x)$ [see Eq. (4)] are eigenstates of the Pauli matrix $\tau_{1}$, so the intrasubband matrix elements vanish, footnote_1 which is consistent with Kramers degeneracy at $k_{y}=0$ for a time-reversal invariant Hamiltonian. The intersubband matrix elements $t_{mm^{\prime}}$, however, are non-zero, but they contain a strong suppression factor arising from the sublattice degree of freedom as follows. At small momenta, the mass term $\Delta\sigma_{3}$ dominates in the Hamiltonian, so the wavefunctions $\psi_{m}(x)$ are close to the eigenstate of $\sigma_{3}$. As a result, the sublattice terms in $H^{\prime}$ ($H_{so}$), $1-\sigma_{3}$ and $\sigma_{1}$, lead to a suppression of SOI effects, where the intrinsic SOI is suppressed by a factor $(E-\Delta)/\Delta\ll 1$ and the Rashba SOI by a factor $\sqrt{(E-\Delta)/\Delta}$. Thus, the corrections to the spectrum are small in the parameter $t_{mm^{\prime}}/\omega_{mm^{\prime}}$, where $\omega_{mm^{\prime}}$ denotes the subband splitting at given $k_{y}$. However, these terms lead to an anticrossing between two different subbands with opposite spin (with the same spin) along $x$ (along $z$), see Fig. 2c. We note here that in spite of having strong SOI, the spin degeneracy is not lifted in case of quantum wires. Helical modes via electric field. The Rashba SOI induced by an electric field offers the possibility to generate helical modes in a time-reversal invariant system. As shown above, $H^{\prime}$ results in subband anticrossings, see Fig. 2c. Sufficiently far away from them, $t_{mm^{\prime}}\ll\omega_{mm^{\prime}}$, the subbands are spin-polarized by the Rashba SOI $H_{Rx}$ in the $x$ direction, see Fig. 3. However, passing through the anticrossing the spin polarization goes through zero and changes sign. All this suggests that if the Fermi level is tuned close to the anticrossing (see Fig. 2c) in such a way that there are four propagating modes (two left and two right), the system is in a quasi-helical regime. The lowest subband $n=1$ is almost fully spin-polarized and transports opposite spins into opposite directions, whereas the next subband $n=2$ is only partially polarized. This means that scattering due to impurities between subbands is allowed and helical modes are not protected from backscattering. Figure 3: The spin polarization $\left<s_{x}\right>$ along $x$ direction as function of momentum $\tilde{k}_{y}$ for the $n$th level defined in Fig. 2c. The spin projections onto the $y$ and $z$ directions vanish. Away from the anticrossings the spin is almost perfectly aligned along $x$. If the chemical potential $\mu$, defining the Fermi momentum $\tilde{k}_{F}^{(n)}$ for the $n$th subband, is tuned close to the anticrossing (see Fig. 2c), the total polarization $\left<s_{x}\right>$ of a left (right) propagating electron is non-zero. Helical modes via magnetic field. If a Rashba SOI (along $x$) is generated by a spatially varying magnetic field, the time-reversal invariance of the system is broken, giving rise to a Zeeman term $H_{Z}$. The corresponding magnetic field, pointing along $z$, is perpendicular to the spin quantization axis determined by the Rashba SOI. Thus, the spin degeneracy at $k_{y}=0$ gets lifted, and a gap of size $2\Delta_{Z}$ is opened, see Fig. 4. The spin polarization along $z$ is given by $\left<s_{z}\right>=\frac{\omega_{\downarrow\uparrow}}{\sqrt{\omega_{\downarrow\uparrow}+4\Delta_{Z}^{2}}},$ (13) where $\omega_{\uparrow\downarrow}$ is the energy difference between spin up and spin down states at given momentum $k_{y}$ for the unperturbed problem $H_{0}+H_{Rn}+H_{so}$. footnote2 If the chemical potential $\mu$ is tuned inside the gap, there is one mode propagating to the left and one to the right. Moreover, these two modes carry opposite spins with almost perfect polarization, $\left|\left<s_{z}\right>\right|\approx 1$, provided that $\Delta_{Z}\ll 16\alpha_{Rn}^{2}/\Delta$. Thus, the system is in a helical regime. Figure 4: (a) The two lowest energy levels of $H_{0}+H_{Rn}+H_{so}+H_{Z}$, cf. Fig. 2. The Zeeman term lifts the Kramers degeneracy at $\tilde{k}_{y}=0$ and opens a gap $2\Delta_{Z}$. If $\mu$ is tuned inside the gap, the system is in a helical regime with a left (right) propagating mode with spin down (up). (b) The spin polarization $\left<s_{z}\right>$ as function of the momentum $\tilde{k}_{y}$ for the lowest level. The parameters are chosen as $W=50a$, $\alpha_{Rn}=10\ {\rm meV}$, and $\Delta_{Z}=0.05\ {\rm meV}$. Majorana fermions. Helical modes as in Fig. 4 have attracted considerable attention in various candidate systems not only as a platform for spin-filters streda but also as a platform for generating MFs. alicea_review_2012 MFs are particles that are their own antiparticles. When the quantum wire is brought into tunnel contact with an $s$-wave superconductor inducing a proximity gap $\Delta_{sc}$, states with opposite spins and momenta are coupled giving rise to an effective $p$-wave pairing. In the topological phase, MFs emerge as midgap boundstates, one localized at each end of the quantum wire. This phase emerges if $\Delta_{Z}^{2}>\Delta_{sc}^{2}+{\mu}^{2}$ is satisfied, where $\mu$ is now counted from the middle of the gap. Since the derivation is similar to previously studied cases, MF_wavefunction_klinovaja_2012 ; MF_CNT_2012 ; nanoribbon_KL ; Two_field_Klinovaja we defer the details to App. A. The $\rm MoS_{2}$ monolayer quantum wires offer the unique possibility to probe MFs not only by transport but also by optical spectroscopy. Quantum dots. In contrast to gapless graphene, Guido_Nature ; Guido_dots quantum dots Spin_qubits ; kloeffel_prospects_2013 in $\rm MoS_{2}$ can be created by gates. Lieven_exp ; Amir_exp We note that the confining potential should be sharp enough to lift the valley degeneracy, as shown above for the quantum wires, and, in addition, to insure a non-equidistant spectrum, which is more suitable for optical experiments. If vanishing boundary conditions are imposed also along $y$, the momentum $k_{y}$ is quantized, $\kappa_{yn}=\pi n/(W_{y}+2a/\sqrt{3})$, where $W_{y}$ is width in the $y$ direction, and $n$ is a positive integer. The dot spectrum then becomes $E_{n,m}=\sqrt{(\hbar\upsilon_{F})^{2}(\kappa_{m}^{2}+\kappa_{yn}^{2})+\Delta^{2}}$. Each level is spin degenerate and the intrinsic SOI can neither lift this Kramers degeneracy, nor, due to its symmetry, change substantially splittings between levels [in the small parameter $\alpha(E-\Delta)/\Delta\ll\alpha$, see above]. The spin degeneracy can be lifted with a magnetic field, say, along $z$. Similar to nanotubes, klinovaja_cnt EDSR can then be achieved by applying an oscillatory electric field $E$ also along $z$, causing $\alpha_{R}$ to oscillate and thereby inducing spin rotations at a Rabi frequency $\sim|\alpha_{R}|$. Thus, we conclude that quantum dots in $\rm MoS_{2}$ host well-defined Kramers doublets that can serve as platform for spin qubits. Spin_qubits ; kloeffel_prospects_2013 We acknowledge stimulating discussions with Parisa Fallahi, Richard Warburton, and Dominik Zumbuhl. This work is supported by the Swiss NSF, NCCR Nanoscience, and NCCR QSIT. ## Appendix A Majorana Fermions We give here more details of the derivation of the Majorana fermions (MFs) introduced in the main text. Thereby we closely follow the derivation given in Ref. MF_wavefunction_klinovaja_2012, which requires a few minor modifications for the present case. If the chemical potential $\mu$ is tuned inside the gap $2\Delta_{Z}$ opened by the magnetic field ${\bf B}_{n}$ at $k_{y}=0$, the two propagating modes are helical, see Fig. 4. The same helical states can be obtained by a Rashba SOI induced by an electric field in the presence of a uniform magnetic field giving rise to a Zeeman splitting $2\Delta_{Z}$. If such a quantum wire is brought into tunnel contact with an $s$-wave superconductor, a superconducting proximity gap $\Delta_{sc}$ is induced in the wire. Through the pairing mechanism coupling Kramers partners, the helical states get paired into a $p$-wave-like superconducting state. Sato ; lutchyn_majorana_wire_2010 ; oreg_majorana_wire_2010 ; alicea_review_2012 There are no propagating modes inside the gap but there could exist boundstates localized at the ends of the wire. If a certain topological criterion is satisfied, these states are MFs, particles that are their own antiparticles. To find this criterion, we describe the system by an effective linearized model for the exterior ($\chi=e$, states with momenta close to the Fermi momentum, $k_{e}=k_{F}$) and the interior branches ($\chi=i$, states with momenta close to $k_{i}=0$). MF_wavefunction_klinovaja_2012 The electron operator is represented as $\Psi(y)=\sum_{\rho={\pm 1},\chi=e,i}e^{i\rho k_{\chi}y}\Psi_{\rho\chi}$, where the sum runs over the right ($R$, $\rho=1$) and left ($L$, $\rho~{}=~{}-1$) movers and $\Psi_{\rho\chi}$ is an annihilation operator for the $(\rho,\chi)$ branch of the spectrum. The effective Hamiltonian becomes $\displaystyle H=-i\hbar\upsilon\rho_{3}\chi_{3}\partial_{y}+\Delta_{Z}\eta_{3}\rho_{1}(1+\chi_{3})/2$ $\displaystyle\hskip 20.0pt+{\Delta}_{sc}\eta_{2}\rho_{2}(1+\chi_{3})/2+{\bar{\Delta}}_{sc}\eta_{2}\rho_{2}(1-\chi_{3})/2.$ (14) in the basis $\widetilde{\Psi}=(\Psi_{Re},\Psi_{Le},\Psi_{Re}^{\dagger},\Psi_{Le}^{\dagger},\Psi_{Li},\Psi_{Ri},\Psi^{\dagger}_{Li},\Psi^{\dagger}_{Ri}),$ where the Pauli matrices $\chi_{i}$ ($\eta_{i}$) act in the interior-exterior branch (electron-hole) space. Here, $\Delta_{Z}=g\mu_{B}B_{n}/2$ is the Zeeman energy, and $\upsilon=(\partial E/\partial\hbar k_{y})|_{k_{y}=k_{F}}$ is the velocity at the Fermi level. In the limit of strong Rashba SOI ($\alpha_{Rn}\gg\Delta_{Z},\Delta_{sc}$), the strength of the effective proximity induced superconductivity acting on the exterior branches $\bar{\Delta}_{sc}$ due to the nearly perfect spin polarization at the Fermi wavevector $k_{F}$ is equal to $\Delta_{sc}$. In the opposite limit of weak Rashba SOI ($\alpha_{Rn}\ll\Delta_{Z}$), $\bar{\Delta}_{sc}$ is getting suppressed by the magnetic field, $\bar{\Delta}_{sc}=\Delta_{sc}k_{n}/k_{F}$, where $k_{n}=2\pi/\lambda_{n}$ ($k_{n}=2\alpha_{R}/\hbar\upsilon_{F}$) for Rashba SOI induced by rotating magnetic fields (by electric fields). Note that the Fermi wavevector $k_{F}$ grows with magnetic field as $k_{F}\propto\sqrt{\Delta_{Z}}$. All this together leads us to the criterion for the topological phase given by $\displaystyle\Delta_{Z}>\sqrt{\Delta_{sc}^{2}+\mu^{2}},$ (15) where the chemical potential $\mu$ is now calculated from the middle of gap $2\Delta_{Z}$. Similarly, following Refs. MF_wavefunction_klinovaja_2012, ; Two_field_Klinovaja, , we can also obtain the localization length of the MFs. For example, in the strong SOI regime and for $\mu=0$, the wavefunction of the left localized MF is written in the basis ${\bar{\Psi}}=({\Psi}_{\uparrow},{\Psi}_{\downarrow},{\Psi}_{\uparrow}^{\dagger},{\Psi}_{\downarrow}^{\dagger})$ as $\displaystyle\varPhi_{M}(y)=\begin{pmatrix}i\\\ 1\\\ -i\\\ 1\end{pmatrix}e^{-k_{-}^{(i)}y}-\begin{pmatrix}i\ e^{ik_{F}y}\\\ e^{-ik_{F}y}\\\ -i\ e^{-ik_{F}y}\\\ e^{ik_{F}y}\end{pmatrix}e^{-k^{(e)}y},$ (16) where $k_{-}^{(i)}=(\Delta_{Z}-\Delta_{sc})/\hbar\upsilon$ and $k^{(e)}=\Delta_{sc}/\hbar\upsilon$ MF_wavefunction_klinovaja_2012 . The localization length is determined by the smallest gap in the system $\xi={\rm max}\\{1/k_{-}^{(i)},1/k^{(e)}\\}$. Here, ${\Psi}_{\uparrow(\downarrow)}^{\dagger}$ is a creation operator of the electron with spin up (down), where the spin quantization axis is determined by the Rashba SOI. In the weak SOI regime deeply in the topological phase, the left localized MF wavefunction is written as $\varPhi_{M}(y)=\begin{pmatrix}e^{-i\pi/4}\\\ ie^{i\pi/4}\\\ e^{i\pi/4}\\\ -ie^{-i\pi/4}\end{pmatrix}\sin(k_{F}y)e^{-\bar{k}^{(e)}y},$ (17) where $\bar{k}^{(e)}=\bar{\Delta}_{sc}/\hbar\upsilon$ MF_wavefunction_klinovaja_2012 . Note that both solutions explicitly satisfy the MF condition of being self-conjugate, $\varPhi_{M}\cdot{\bar{\Psi}}=[\varPhi_{M}\cdot{\bar{\Psi}}]^{\dagger}$. ## References * (1) A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov, and A. K. Geim, Rev. Mod. Phys. 81, 109 (2009). * (2) C. L. Kane and E. J. Mele, Phys. Rev. Lett. 95, 226801 (2005). * (3) F. 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arxiv-papers
2013-04-16T18:17:50
2024-09-04T02:49:44.496235
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jelena Klinovaja and Daniel Loss", "submitter": "Jelena Klinovaja", "url": "https://arxiv.org/abs/1304.4542" }
1304.4586
# The Fokas method to the Sasa-Satsuma equation on the half-line Jian Xu School of Mathematical Sciences Fudan University Shanghai 200433 People’s Republic of China [email protected] and Engui Fan School of Mathematical Sciences, Institute of Mathematics and Key Laboratory of Mathematics for Nonlinear Science Fudan University Shanghai 200433 People’s Republic of China correspondence author:[email protected] ###### Abstract. We present a Riemann-Hilbert problem formalism for the initial-boundary value problem for the Sasa-Satsuma(SS) equation: on the half-line. And we also analysis the global relation in this paper. ###### Key words and phrases: Riemann-Hilbert problem, Sasa-Satsuma equation, Initial-boundary value problem ## 1\. Introduction Several of the most important PDEs in mathematics and physics are integrable. Integrable PDEs can be analyzed by means of the Inverse Scattering Transform (IST) formalism. Until the 1990s the IST methodology was pursued almost entirely for pure initial value problems. However, in many laboratory and field situations, the wave motion is initiated by what corresponds to the imposition of boundary conditions rather than initial conditions. This naturally leads to the formulation of an initial-boundary value (IBV) problem instead of a pure initial value problem. In 1997, Fokas announced a new unified approach for the analysis of IBV problems for linear and nonlinear integrable PDEs [1, 2](see also [3]). The Fokas method provides a generalization of the IST formalism from initial value to IBV problems, and over the last fifteen years, this method has been used to analyze boundary value problems for several of the most important integrable equations with $2\times 2$ Lax pairs, such as the Korteweg de Vries, the nonlinear Schrö dinger, the sine-Gordon, and the stationary axisymmetric Einstein equations, see e.g. [4, 9]. Just like the IST on the line, the unified method yields an expression for the solution of an IBV problem in terms of the solution of a Riemann-Hilbert problem. In particular, the asymptotic behavior of the solution can be analyzed in an effective way by using this Riemann-Hilbert problem and by employing the nonlinear version of the steepest descent method introduced by Deift and Zhou [15]. It is well known that the nonlinear Schrödinger(NLS) equation $iq_{T}+\frac{1}{2}q_{XX}+|q|^{2}q=0$ (1.1) describes slowly varying wave envelopes in dispersive media and arises in various physical systems such as water waves, plasma physics, solid-state physics and nonlinear optics. One of the most successful among them is the description of optical solitons in fibers. But, by the advancement of experomenal accuracy, several phenomena which can not be explained by equation (1.1) have been observed. In order to understand such phenomena, Kodama and Hasegawa proposed a higer-order nonlinear Schrödinger equation $iq_{T}+\frac{1}{2}q_{XX}+|q|^{2}q+i\varepsilon\\{\beta_{1}q_{xxx}+\beta_{2}|q|^{2}q_{X}+\beta_{3}q(|q|^{2})_{X}\\}=0.$ (1.2) In general, equation (1.2) may not be completely integrable. However, if some restrictions are imposed on the real parameters $\beta_{1},\beta_{2}$ and $\beta_{3}$, then we can apply the IST to solve its initial value problems. Until now, the following four cases besides the NLS equation itself are konwn to be solvable: * • the derivative NLS equation-type i@($\beta_{1}:\beta_{2}:\beta_{3}$=0:1:1), * • the derivative NLS equation-type ii@($\beta_{1}:\beta_{2}:\beta_{3}$=0:1:0), * • the Hirota equation($\beta_{1}:\beta_{2}:\beta_{3}$=1:6:0), * • the Sasa-Satsuma equation($\beta_{1}:\beta_{2}:\beta_{3}$=1:6:3). $iq_{T}+\frac{1}{2}q_{XX}+|q|^{2}q+i\varepsilon(q_{XXX}+6|q|^{2}q_{X}+3q(|q|^{2})_{X})=0$ (1.3) Recently, Lenells develop a methodology for analyzing IBV problems for integrable evolution equations with Lax pairs involving $3\times 3$ matrices [12]. He also used this method to analyze the Degasperis-Procesi equation in [13]. In this paper we analyze the initial-boundary value problem of the Sasa- Satsuma equation on the half-line by using this method. The IST formalism for the initial value problem of the Sasa-Satsuma equation has been obtained in [10]. According to [10] we introduce variable transformations, $u(x,t)=q(X,T)\exp\\{\frac{-i}{6\varepsilon}(X-\frac{T}{18\varepsilon})\\},$ (1.4a) $t=T,$ (1.4b) $x=X-\frac{T}{12\varepsilon}.$ (1.4c) Then equation (1.2) is reduce to a complex modified KdV-type equation $u_{t}+\varepsilon\\{u_{xxx}+6|u|^{2}u_{x}+3u(|u|^{2})_{x}\\}=0.$ (1.5) Organization of the paper.In section 2 we perform the spectral analysis of the associated Lax pair. And we formulate the main Riemann-Hilbert problem in section 3. We also analysis the global relation in section 4. ## 2\. Spectral analysis The Lax pair of equation (1.5) is [10], $\Psi_{x}=U\Psi,\quad\Psi=\left(\begin{array}[]{c}\Psi_{1}\\\ \Psi_{2}\\\ \Psi_{3}\end{array}\right).$ (2.1a) $\Psi_{t}=V\Psi.$ (2.1b) where $U=-ik\Lambda+V_{1}.$ (2.2) and $V=-4i\varepsilon k^{3}\Lambda+V_{2}$ (2.3) here $\Lambda=\left(\begin{array}[]{ccc}1&0&0\\\ 0&1&0\\\ 0&0&-1\end{array}\right),V_{1}=\left(\begin{array}[]{ccc}0&0&u\\\ 0&0&\bar{u}\\\ -\bar{u}&-u&0\end{array}\right),V_{2}=k^{2}V_{2}^{(2)}+kV_{2}^{(1)}+V_{2}^{(0)}.$ (2.4) where $\begin{array}[]{l}V_{2}^{(2)}=4\varepsilon\left(\begin{array}[]{ccc}0&0&u\\\ 0&0&\bar{u}\\\ -\bar{u}&-u&0\end{array}\right),\\\ V_{2}^{(1)}=2i\varepsilon\left(\begin{array}[]{ccc}|u|^{2}&u^{2}&u_{x}\\\ \bar{u}^{2}&|u|^{2}&\bar{u}_{x}\\\ \bar{u}_{x}&u_{x}&-2|u|^{2}\end{array}\right),\\\ V_{2}^{(0)}=-4|u|^{2}\varepsilon\left(\begin{array}[]{ccc}0&0&u\\\ 0&0&\bar{u}\\\ -\bar{u}&-u&0\end{array}\right)-\varepsilon\left(\begin{array}[]{ccc}0&0&u_{xx}\\\ 0&0&\bar{u}_{xx}\\\ -\bar{u}_{xx}&-u_{xx}&0\end{array}\right)+\varepsilon(u\bar{u}_{x}-u_{x}\bar{u})\left(\begin{array}[]{ccc}1&0&0\\\ 0&-1&0\\\ 0&0&0\end{array}\right)\end{array}$ (2.5) In the following, we let $\varepsilon=1$ for the convenient of the analysis. ### 2.1. The closed one-form Suppose that $u(x,t)$ is sufficiently smooth function of $(x,t)$ in the half- line domain $\Omega=\\{0<x<\infty,0<t<T\\}$ which decay as $x\rightarrow\infty$. Introducing a new eigenfunction $\mu(x,t,k)$ by $\Psi=\mu e^{-i\Lambda kx-4i\Lambda k^{3}t}$ (2.6) then we find the Lax pair equations $\left\\{\begin{array}[]{l}\mu_{x}+[ik\Lambda,\mu]=V_{1}\mu,\\\ \mu_{t}+[4ik^{3}\Lambda,\mu]=V_{2}\mu.\end{array}\right.$ (2.7) the equations in (A.2) can be written in differential form as $d(e^{(ikx+4ik^{3}t)\hat{\Lambda}}\mu)=W,$ (2.8) where $W(x,t,k)$ is the closed one-form defined by $W=e^{(ikx+4ik^{3}t)\hat{\Lambda}}(V_{1}dx+V_{2}dt)\mu.$ (2.9) ### 2.2. The $\mu_{j}$’s We define three eigenfunctions $\\{\mu_{j}\\}_{1}^{3}$ of (A.2) by the Volterra integral equations $\mu_{j}(x,t,k)=\mathbb{I}+\int_{\gamma_{j}}e^{(-ikx-4ik^{3}t)\hat{\Lambda}}W_{j}(x^{\prime},t^{\prime},k).\qquad j=1,2,3.$ (2.10) where $W_{j}$ is given by (2.9) with $\mu$ replaced with $\mu_{j}$, and the contours $\\{\gamma_{j}\\}_{1}^{3}$ are showed in Figure 1. Figure 1. The three contours $\gamma_{1},\gamma_{2}$ and $\gamma_{3}$ in the $(x,t)-$domain. The first, second and third column of the matrix equation (2.10) involves the exponentials $\begin{array}[]{ll}\mbox{$[\mu_{j}]_{1}$:}&e^{2ik(x-x^{\prime})+8ik^{3}(t-t^{\prime})},\\\ \mbox{$[\mu_{j}]_{2}$:}&e^{2ik(x-x^{\prime})+8ik^{3}(t-t^{\prime})},\\\ \mbox{$[\mu_{j}]_{3}$:}&e^{-2ik(x-x^{\prime})-8ik^{3}(t-t^{\prime})},e^{-2ik(x-x^{\prime})-8ik^{3}(t-t^{\prime})}.\end{array}$ (2.11) And we have the following inequalities on the contours: $\begin{array}[]{ll}\gamma_{1}:&x-x^{\prime}\geq 0,t-t^{\prime}\leq 0,\\\ \gamma_{2}:&x-x^{\prime}\geq 0,t-t^{\prime}\geq 0,\\\ \gamma_{3}:&x-x^{\prime}\leq 0.\end{array}$ (2.12) So, these inequalities imply that the functions $\\{\mu_{j}\\}_{1}^{3}$ are bounded and analytic for $k\in{\mathbb{C}}$ such that $k$ belongs to $\begin{array}[]{ll}\mu_{1}:&(D_{2},D_{2},D_{3}),\\\ \mu_{2}:&(D_{1},D_{1},D_{4}),\\\ \mu_{3}:&(D_{3}\cup D_{4},D_{3}\cup D_{4},D_{1}\cup D_{2}).\end{array}$ (2.13) where $\\{D_{n}\\}_{1}^{4}$ denote four open, pairwisely disjoint subsets of the Riemann $k-$sphere showed in Figure 2. Figure 2. The sets $D_{n}$, $n=1,\ldots,4$, which decompose the complex $k-$plane. And the sets $\\{D_{n}\\}_{1}^{4}$ has the following properties: $\begin{array}[]{l}D_{1}=\\{k\in{\mathbb{C}}|\mathrm{Re}{l_{1}}=\mathrm{Re}{l_{2}}>\mathrm{Re}{l_{3}},\mathrm{Re}{z_{1}}=\mathrm{Re}{z_{2}}>\mathrm{Re}{z_{3}}\\},\\\ D_{2}=\\{k\in{\mathbb{C}}|\mathrm{Re}{l_{1}}=\mathrm{Re}{l_{2}}>\mathrm{Re}{l_{3}},\mathrm{Re}{z_{1}}=\mathrm{Re}{z_{2}}<\mathrm{Re}{z_{3}}\\},\\\ D_{1}=\\{k\in{\mathbb{C}}|\mathrm{Re}{l_{1}}=\mathrm{Re}{l_{2}}<\mathrm{Re}{l_{3}},\mathrm{Re}{z_{1}}=\mathrm{Re}{z_{2}}>\mathrm{Re}{z_{3}}\\},\\\ D_{1}=\\{k\in{\mathbb{C}}|\mathrm{Re}{l_{1}}=\mathrm{Re}{l_{2}}<\mathrm{Re}{l_{3}},\mathrm{Re}{z_{1}}=\mathrm{Re}{z_{2}}<\mathrm{Re}{z_{3}}\\},\\\ \end{array}$ where $l_{i}(k)$ and $z_{i}(k)$ are the diagonal entries of matrices $-ik\Lambda$ and $-4ik^{3}\Lambda$, respectively. In fact, for $x=0$, $\mu_{1}(0,t,k)$ has enlarged domain of boundedness: $(D_{2}\cup D_{4},D_{2}\cup D_{4},D_{1}\cup D_{3})$, and $\mu_{2}(0,t,k)$ has enlarged domain of boundedness: $(D_{1}\cup D_{3},D_{1}\cup D_{3},D_{2}\cup D_{4})$. ### 2.3. The $M_{n}$’s For each $n=1,\ldots,4$, define a solution $M_{n}(x,t,k)$ of (A.2) by the following system of integral equations: $(M_{n})_{ij}(x,t,k)=\delta_{ij}+\int_{\gamma_{ij}^{n}}(e^{(-ikx-4ik^{3}t)\hat{\Lambda}}W_{n}(x^{\prime},t^{\prime},k))_{ij},\quad k\in D_{n},\quad i,j=1,2,3.$ (2.14) where $W_{n}$ is given by (2.9) with $\mu$ replaced with $M_{n}$, and the contours $\gamma_{ij}^{n}$, $n=1,\ldots,4$, $i,j=1,2,3$ are defined by $\gamma_{ij}^{n}=\left\\{\begin{array}[]{lclcl}\gamma_{1}&if&\mathrm{Re}l_{i}(k)<\mathrm{Re}l_{j}(k)&and&\mathrm{Re}z_{i}(k)\geq\mathrm{Re}z_{j}(k),\\\ \gamma_{2}&if&\mathrm{Re}l_{i}(k)<\mathrm{Re}l_{j}(k)&and&\mathrm{Re}z_{i}(k)<\mathrm{Re}z_{j}(k),\\\ \gamma_{3}&if&\mathrm{Re}l_{i}(k)\geq\mathrm{Re}l_{j}(k)&&.\\\ \end{array}\right.\quad\mbox{for }\quad k\in D_{n}.$ (2.15) The following proposition ascertains that the $M_{n}$’s defined in this way have the properties required for the formulation of a Riemann-Hilbert problem. ###### Proposition 2.1. For each $n=1,\ldots,4$, the function $M_{n}(x,t,k)$ is well-defined by equation (2.14) for $k\in\bar{D}_{n}$ and $(x,t)\in\Omega$. For any fixed point $(x,t)$, $M_{n}$ is bounded and analytic as a function of $k\in D_{n}$ away from a possible discrete set of singularities $\\{k_{j}\\}$ at which the Fredholm determinant vanishes. Moreover, $M_{n}$ admits a bounded and contious extension to $\bar{D}_{n}$ and $M_{n}(x,t,k)=\mathbb{I}+O(\frac{1}{k}),\qquad k\rightarrow\infty,\quad k\in D_{n}.$ (2.16) ###### Proof. The bounedness and analyticity properties are established in appendix B in [12]. And substituting the expansion $M=M_{0}+\frac{M^{(1)}}{k}+\frac{M^{(2)}}{k^{2}}+\cdots,\qquad k\rightarrow\infty.$ into the Lax pair (A.2) and comparing the terms of the same order of $k$ yield the equation (2.16). ∎ ### 2.4. The jump matrices We define spectral functions $S_{n}(k)$, $n=1,\ldots,4$, and $S_{n}(k)=M_{n}(0,0,k),\qquad k\in D_{n},\quad n=1,\ldots,4.$ (2.17) Let $M$ denote the sectionally analytic function on the Riemann $k-$sphere which equals $M_{n}$ for $k\in D_{n}$. Then $M$ satisfies the jump conditions $M_{n}=M_{m}J_{m,n},\qquad k\in\bar{D}_{n}\cap\bar{D}_{m},\qquad n,m=1,\ldots,4,\quad n\neq m,$ (2.18) where the jump matrices $J_{m,n}(x,t,k)$ are defined by $J_{m,n}=e^{(-ikx-4ik^{3}t)\hat{\Lambda}}(S_{m}^{-1}S_{n}).$ (2.19) According to the definition of the $\gamma^{n}$, we find that $\begin{array}[]{ll}\gamma^{1}=\left(\begin{array}[]{lll}\gamma_{3}&\gamma_{3}&\gamma_{3}\\\ \gamma_{3}&\gamma_{3}&\gamma_{3}\\\ \gamma_{2}&\gamma_{2}&\gamma_{3}\end{array}\right)&\gamma^{2}=\left(\begin{array}[]{lll}\gamma_{3}&\gamma_{3}&\gamma_{3}\\\ \gamma_{3}&\gamma_{3}&\gamma_{3}\\\ \gamma_{1}&\gamma_{1}&\gamma_{3}\end{array}\right)\\\ \gamma^{3}=\left(\begin{array}[]{lll}\gamma_{3}&\gamma_{3}&\gamma_{1}\\\ \gamma_{3}&\gamma_{3}&\gamma_{1}\\\ \gamma_{3}&\gamma_{3}&\gamma_{3}\end{array}\right)&\gamma^{4}=\left(\begin{array}[]{lll}\gamma_{3}&\gamma_{3}&\gamma_{2}\\\ \gamma_{3}&\gamma_{3}&\gamma_{2}\\\ \gamma_{3}&\gamma_{3}&\gamma_{3}\end{array}\right).\end{array}$ (2.20) ### 2.5. The adjugated eigenfunctions We will also need the analyticity and boundedness properties of the minors of the matrices $\\{\mu_{j}(x,t,k)\\}_{1}^{3}$. We recall that the adjugate matrix $X^{A}$ of a $3\times 3$ matrix $X$ is defined by $X^{A}=\left(\begin{array}[]{ccc}m_{11}(X)&-m_{12}(X)&m_{13}(X)\\\ -m_{21}(X)&m_{22}(X)&-m_{23}(X)\\\ m_{31}(X)&-m_{32}(X)&m_{33}(X)\end{array}\right),$ where $m_{ij}(X)$ denote the $(ij)$th minor of $X$. It follows from (A.2) that the adjugated eigenfunction $\mu^{A}$ satisfies the Lax pair $\left\\{\begin{array}[]{l}\mu_{x}^{A}-[ik\Lambda,\mu^{A}]=-V_{1}^{T}\mu^{A},\\\ \mu_{t}^{A}-[4ik^{3}\Lambda,\mu^{A}]=-V_{2}^{T}\mu^{A}.\end{array}\right.$ (2.21) where $V^{T}$ denote the transform of a matrix $V$. Thus, the eigenfunctions $\\{\mu_{j}^{A}\\}_{1}^{3}$ are solutions of the integral equations $\mu_{j}^{A}(x,t,k)=\mathbb{I}-\int_{\gamma_{j}}e^{ik(x-x^{\prime})+4ik^{3}(t-t^{\prime})\hat{\Lambda}}(V_{1}^{T}dx+V_{2}^{T})\mu^{A},\quad j=1,2,3.$ (2.22) Then we can get the following analyticity and boundedness properties: $\begin{array}[]{ll}\mu_{1}^{A}:&(D_{3},D_{3},D_{2}),\\\ \mu_{2}^{A}:&(D_{4},D_{4},D_{1}),\\\ \mu_{3}^{A}:&(D_{1}\cup D_{2},D_{1}\cup D_{2},D_{3}\cup D_{4}).\end{array}$ (2.23) In fact, for $x=0$, $\mu_{1}^{A}(0,t,k)$ has enlarged domain of boundedness: $(D_{1}\cup D_{3},D_{1}\cup D_{3},D_{2}\cup D_{4})$, and $\mu_{2}^{A}(0,t,k)$ has enlarged domain of boundedness: $(D_{2}\cup D_{4},D_{2}\cup D_{4},D_{1}\cup D_{3})$. ### 2.6. The $J_{m,n}$’s computation Let us define the $3\times 3-$matrix value spectral functions $s(k)$ and $S(k)$ by $\mu_{3}(x,t,k)=\mu_{2}(x,t,k)e^{(-ikx-4ik^{3}t)\hat{\Lambda}}s(k),$ (2.24a) $\mu_{1}(x,t,k)=\mu_{2}(x,t,k)e^{(-ikx-4ik^{3}t)\hat{\Lambda}}S(k),$ (2.24b) Thus, $s(k)=\mu_{3}(0,0,k),\qquad S(k)=\mu_{1}(0,0,k).$ (2.25) And we deduce from the properties of $\mu_{j}$ and $\mu_{j}^{A}$ that $s(k)$ and $S(k)$ have the following boundedness properties: $\begin{array}[]{ll}s(k):&(D_{3}\cup D_{4},D_{3}\cup D_{4},D_{1}\cup D_{2}),\\\ S(k):&(D_{2}\cup D_{4},D_{2}\cup D_{4},D_{1}\cup D_{3}),\\\ s^{A}(k):&(D_{1}\cup D_{2},D_{1}\cup D_{2},D_{3}\cup D_{4}),\\\ S^{A}(k):&(D_{1}\cup D_{3},D_{1}\cup D_{3},D_{2}\cup D_{4}).\end{array}$ Moreover, $M_{n}(x,t,k)=\mu_{2}(x,t,k)e^{(-ikx-4ik^{3}t)\hat{\Lambda}}S_{n}(k),\quad k\in D_{n}.$ (2.26) ###### Proposition 2.2. The $S_{n}$ can be expressed in terms of the entries of $s(k)$ and $S(k)$ as follows: $\begin{array}[]{l}S_{1}=\left(\begin{array}[]{ccc}\frac{m_{22}(s)}{s_{33}}&\frac{m_{21}(s)}{s_{33}}&s_{13}\\\ \frac{m_{12}(s)}{s_{33}}&\frac{m_{11}(s)}{s_{33}}&s_{23}\\\ 0&0&s_{33}\end{array}\right),\\\ S_{2}=\left(\begin{array}[]{ccc}\frac{m_{22}(s)m_{33}(S)-m_{32}(s)m_{23}(S)}{(s^{T}S^{A})_{33}}&\frac{m_{21}(s)m_{33}(S)-m_{31}(s)m_{23}(S)}{(s^{T}S^{A})_{33}}&s_{13}\\\ \frac{m_{12}(s)m_{33}(S)-m_{32}(s)m_{13}(S)}{(s^{T}S^{A})_{33}}&\frac{m_{11}(s)m_{33}(S)-m_{31}(s)m_{13}(S)}{(s^{T}S^{A})_{33}}&s_{23}\\\ \frac{m_{12}(s)m_{23}(S)-m_{22}(s)m_{13}(S)}{(s^{T}S^{A})_{33}}&\frac{m_{11}(s)m_{23}(S)-m_{21}(s)m_{13}(S)}{(s^{T}S^{A})_{33}}&s_{33}\end{array}\right),\\\ \end{array}$ (2.27a) $\begin{array}[]{ll}S_{3}=\left(\begin{array}[]{ccc}s_{11}&s_{12}&\frac{S_{13}}{(S^{T}s^{A})_{33}}\\\ s_{21}&s_{22}&\frac{S_{23}}{(S^{T}s^{A})_{33}}\\\ s_{31}&s_{32}&\frac{S_{33}}{(S^{T}s^{A})_{33}}\end{array}\right),&S_{4}=\left(\begin{array}[]{ccc}s_{11}&s_{12}&0\\\ s_{21}&s_{22}&0\\\ s_{31}&s_{32}&\frac{1}{m_{33}(s)}\end{array}\right).\end{array}$ (2.27b) ###### Proof. Let $\gamma_{3}^{X_{0}}$ denote the contour $(X_{0},0)\rightarrow(x,t)$ in the $(x,t)-$plane, here $X_{0}>0$ is a constant. We introduce $\mu_{3}(x,t,k;X_{0})$ as the solution of (2.10) with $j=3$ and with the contour $\gamma_{3}$ replaced by $\gamma_{3}^{X_{0}}$. Similarly, we define $M_{n}(x,t,k;X_{0})$ as the solution of (2.14) with $\gamma_{3}$ replaced by $\gamma_{3}^{X_{0}}$. We will first derive expression for $S_{n}(k;X_{0})=M_{n}(0,0,k;X_{0})$ in terms of $S(k)$ and $s(k;X_{0})=\mu_{3}(0,0,k;X_{0})$. Then (2.27) will follow by taking the limit $X_{0}\rightarrow\infty$. First, We have the following relations: $\left\\{\begin{array}[]{l}M_{n}(x,t,k;X_{0})=\mu_{1}(x,t,k)e^{(-ikx-4ik^{3}t)\hat{\Lambda}}R_{n}(k;X_{0}),\\\ M_{n}(x,t,k;X_{0})=\mu_{2}(x,t,k)e^{(-ikx-4ik^{3}t)\hat{\Lambda}}S_{n}(k;X_{0}),\\\ M_{n}(x,t,k;X_{0})=\mu_{3}(x,t,k)e^{(-ikx-4ik^{3}t)\hat{\Lambda}}T_{n}(k;X_{0}).\end{array}\right.$ (2.28) Then we get $R_{n}(k;X_{0})$ and $T_{n}(k;X_{0})$ are fedined as follows: $R_{n}(k;X_{0})=e^{4ik^{3}T\hat{\Lambda}}M_{n}(0,T,k;X_{0}),$ (2.29a) $T_{n}(k;X_{0})=e^{ikx\hat{\Lambda}}M_{n}(X_{0},0,k;X_{0}).$ (2.29b) The relations (2.28) imply that $s(k;X_{0})=S_{n}(k;X_{0})T^{-1}_{n}(k;X_{0}),\qquad S(k)=S_{n}(k;X_{0})R^{-1}_{n}(k;X_{0}).$ (2.30) These equations constitute a matrix factorization problem which, given $\\{s,S\\}$ can be solved for the $\\{R_{n},S_{n},T_{n}\\}$. Indeed, the integral equations (2.14) together with the definitions of $\\{R_{n},S_{n},T_{n}\\}$ imply that $\left\\{\begin{array}[]{lll}(R_{n}(k;X_{0}))_{ij}=0&if&\gamma_{ij}^{n}=\gamma_{1},\\\ (S_{n}(k;X_{0}))_{ij}=0&if&\gamma_{ij}^{n}=\gamma_{2},\\\ (T_{n}(k;X_{0}))_{ij}=0&if&\gamma_{ij}^{n}=\gamma_{3}.\end{array}\right.$ (2.31) It follows that (2.30) are 18 scalar equations for 18 unknowns. By computing the explicit solution of this algebraic system, we find that $\\{S_{n}(k;X_{0})\\}_{1}^{4}$ are given by the equation obtained from (2.27) by replacing $\\{S_{n}(k),s(k)\\}$ with $\\{S_{n}(k;X_{0}),s(k;X_{0})\\}$. taking $X_{0}\rightarrow\infty$ in this equation, we arrive at (2.27). ∎ ### 2.7. The global relation The spectral functions $S(k)$ and $s(k)$ are not independent but satisfy an important relation. Indeed, it follows from (2.24) that $\mu_{1}(x,t,k)e^{(-ikx-4ik^{3}t)\hat{\Lambda}}S^{-1}(k)s(k)=\mu_{3}(x,t,k),\quad k\in(D_{3}\cup D_{4},D_{3}\cup D_{4},D_{1}\cup D_{2}).$ (2.32) Since $\mu_{1}(0,T,k)=\mathbb{I}$, evaluation at $(0,T)$ yields the following global relation: $S^{-1}(k)s(k)=e^{4ik^{3}T\hat{\Lambda}}c(T,k),\quad k\in(D_{3}\cup D_{4},D_{3}\cup D_{4},D_{1}\cup D_{2}).$ (2.33) where $c(T,k)=\mu_{3}(0,T,k)$. ### 2.8. The residue conditions Since $\mu_{2}$ is an entire function, it follows from (2.26) that M can only have sigularities at the points where the $S_{n}^{\prime}s$ have singularities. We infer from the explicit formulas (2.27) that the possible singularities of $M$ are as follows: * • $[M]_{1}$ could have poles in $D_{1}\cup D_{2}$ at the zeros of $s_{33}(k)$; * • $[M]_{1}$ could have poles in $D_{2}$ at the zeros of $(s^{T}S^{A})_{33}(k)$; * • $[M]_{2}$ could have poles in $D_{1}\cup D_{2}$ at the zeros of $s_{33}(k)$; * • $[M]_{2}$ could have poles in $D_{2}$ at the zeros of $(s^{T}S^{A})_{33}(k)$; * • $[M]_{3}$ could have poles in $D_{3}$ at the zeros of $(S^{T}s^{A})_{33}(k)$; * • $[M]_{3}$ could have poles in $D_{3}\cup D_{4}$ at the zeros of $m_{33}(s)(k)$; We denote the above possible zeros by $\\{k_{j}\\}_{1}^{N}$ and assume they satisfy the following assumption. ###### Assumption 2.3. We assume that * • $s_{33}(k)$ has $n_{0}$ possible simple zeros in $D_{1}$ denoted by $\\{k_{j}\\}_{1}^{n_{0}}$; * • $s_{33}(k)$ has $n_{1}-n_{0}$ possible simple zeros in $D_{2}$ denoted by $\\{k_{j}\\}_{n_{0}+1}^{n_{1}}$; * • $(s^{T}S^{A})_{33}(k)$ has $n_{2}-n_{1}$ possible simple zeros in $D_{2}$ denoted by $\\{k_{j}\\}_{n_{1}+1}^{n_{2}}$; * • $(S^{T}s^{A})_{33}(k)$ has $n_{3}-n_{2}$ possible simple zeros in $D_{3}$ denoted by $\\{k_{j}\\}_{n_{2}+1}^{n_{3}}$; * • $m_{33}(s)(k)$ has $n_{4}-n_{3}$ possible simple zeros in $D_{3}$ denoted by $\\{k_{j}\\}_{n_{3}+1}^{n_{4}}$; * • $m_{33}(s)(k)$ has $n_{5}-n_{4}$ possible simple zeros in $D_{3}$ denoted by $\\{k_{j}\\}_{n_{4}+1}^{n_{5}}$; * • $m_{33}(s)(k)$ has $N-n_{5}$ possible simple zeros in $D_{4}$ denoted by $\\{k_{j}\\}_{n_{5}+1}^{N}$; and that none of these zeros coincide. Moreover, we assume that none of these functions have zeros on the boundaries of the $D_{n}$’s. We determine the residue conditions at these zeros in the following: ###### Proposition 2.4. Let $\\{M_{n}\\}_{1}^{4}$ be the eigenfunctions defined by (2.14) and assume that the set $\\{k_{j}\\}_{1}^{N}$ of singularitues are as the above assumption. Then the following residue conditions hold: ${Res}_{k=k_{j}}[M]_{1}=\frac{m_{12}(s)(k_{j})}{\dot{s}_{33}(k_{j})s_{23}(k_{j})}e^{\theta_{31}(k_{j})}[M(k_{j})]_{3},\quad 1\leq j\leq n_{0},k_{j}\in D_{1}$ (2.34a) ${Res}_{k=k_{j}}[M]_{2}=\frac{m_{12}(s)(k_{j})}{\dot{s}_{33}(k_{j})s_{13}(k_{j})}e^{\theta_{32}(k_{j})}[M(k_{j})]_{3},\quad 1\leq j\leq n_{0},k_{j}\in D_{1}$ (2.34b) $\begin{array}[]{r}Res_{k=k_{j}}[M]_{1}=\frac{m_{12}(s)(k_{j})m_{33}(S)(k_{j})-m_{32}(s)(k_{j})m_{13}(S)(k_{j})}{\dot{(s^{T}S^{A})_{33}(k_{j})}s_{23}(k_{j})}e^{\theta_{31}(k_{j})}[M(k_{j})]_{3}\\\ \quad n_{1}+1\leq j\leq n_{2},k_{j}\in D_{2},\end{array}$ (2.34c) $\begin{array}[]{r}Res_{k=k_{j}}[M]_{2}=\frac{m_{21}(s)(k_{j})m_{33}(S)(k_{j})-m_{31}(s)(k_{j})m_{23}(S)(k_{j})}{\dot{(s^{T}S^{A})_{33}(k_{j})}s_{13}(k_{j})}e^{\theta_{32}(k_{j})}[M(k_{j})]_{3}\\\ \quad n_{1}+1\leq j\leq n_{2},k_{j}\in D_{2},\end{array}$ (2.34d) $\begin{array}[]{rl}Res_{k=k_{j}}[M]_{3}=&\frac{S_{13}(k_{j})s_{32}(k_{j})-S_{33}(k_{j})s_{12}(k_{j})}{\dot{(S^{T}s^{A})_{33}(k_{j})}m_{23}(s)(k_{j})}e^{\theta_{13}(k_{j})}[M(k_{j})]_{1}\\\ &+\frac{S_{33}(k_{j})s_{11}(k_{j})-S_{13}(k_{j})s_{31}(k_{j})}{\dot{(S^{T}s^{A})_{33}(k_{j})}m_{23}(s)(k_{j})}e^{\theta_{23}(k_{j})}[M(k_{j})]_{2},n_{2}+1\leq j\leq n_{3},k_{j}\in D_{3},\end{array}$ (2.34e) $\begin{array}[]{r}Res_{k=k_{j}}[M]_{3}=\frac{s_{12}(k_{j})}{\dot{m}_{33}(s)(k_{j})m_{23}(s)(k_{j})}e^{\theta_{13}(k_{j})}[M(k_{j})]_{1}-\frac{s_{11}(k_{j})}{\dot{m}_{33}(s)(k_{j})m_{23}(s)(k_{j})}e^{\theta_{23}(k_{j})}[M(k_{j})]_{2}\\\ \quad n_{4}+1\leq j\leq N,k_{j}\in D_{4}.\end{array}$ (2.34f) where $\dot{f}=\frac{df}{dk}$, and $\theta_{ij}$ is defined by $\theta_{ij}(x,t,k)=(l_{i}-l_{j})x+(z_{i}-z_{j})t,\quad i,j=1,2,3.$ (2.35) that implies that $\theta_{ij}=0,i,j=1,2;\quad\theta_{13}=\theta_{23}=-\theta_{32}=-\theta_{31}=-2ikx-8ik^{3}t.$ ###### Proof. We will prove (2.34a), (2.34c), (2.34e), (2.34f), the other conditions follow by similar arguments. Equation (2.26) implies the relation $M_{1}=\mu_{2}e^{(-ikx-4ik^{3}t)\hat{\Lambda}}S_{1},$ (2.36a) $M_{2}=\mu_{2}e^{(-ikx-4ik^{3}t)\hat{\Lambda}}S_{2}.$ (2.36b) $M_{3}=\mu_{2}e^{(-ikx-4ik^{3}t)\hat{\Lambda}}S_{3},$ (2.36c) $M_{4}=\mu_{2}e^{(-ikx-4ik^{3}t)\hat{\Lambda}}S_{4},$ (2.36d) In view of the expressions for $S_{1}$ and $S_{2}$ given in (2.27), the three columns of (2.36a) read: $[M_{1}]_{1}=[\mu_{2}]_{1}\frac{m_{22}(s)}{s_{33}}+[\mu_{2}]_{2}e^{\theta_{21}}\frac{m_{12}(s)}{s_{33}},$ (2.37a) $[M_{1}]_{2}=[\mu_{2}]_{1}e^{\theta_{12}}\frac{m_{21}(s)}{s_{33}}+[\mu_{2}]_{2}\frac{m_{11}(s)}{s_{33}},$ (2.37b) $[M_{1}]_{3}=[\mu_{2}]_{1}e^{\theta_{13}}s_{13}+[\mu_{2}]_{2}e^{\theta_{23}}s_{23}+[\mu_{2}]_{3}s_{33}.$ (2.37c) while the three columns of (2.36b) read: $\begin{array}[]{rl}[M_{2}]_{1}&=[\mu_{2}]_{1}\frac{m_{22}(s)m_{33}(S)-m_{32}(s)m_{23}(S)}{(s^{T}S^{A})_{33}}\\\ &+[\mu_{2}]_{2}\frac{m_{12}(s)m_{33}(S)-m_{32}(s)m_{13}(S)}{(s^{T}S^{A})_{33}}e^{\theta_{21}}\\\ &+[\mu_{2}]_{3}\frac{m_{12}(s)m_{23}(S)-m_{22}(s)m_{13}(S)}{(s^{T}S^{A})_{33}}e^{\theta_{31}}\end{array}$ (2.38a) $\begin{array}[]{rl}[M_{2}]_{2}&=[\mu_{2}]_{1}\frac{m_{21}(s)m_{33}(S)-m_{31}(s)m_{23}(S)}{(s^{T}S^{A})_{33}}e^{\theta_{12}}\\\ &+[\mu_{2}]_{2}\frac{m_{11}(s)m_{33}(S)-m_{31}(s)m_{13}(S)}{(s^{T}S^{A})_{33}}\\\ &+[\mu_{2}]_{3}\frac{m_{11}(s)m_{23}(S)-m_{21}(s)m_{13}(S)}{(s^{T}S^{A})_{33}}e^{\theta_{32}}\end{array}$ (2.38b) $[M_{2}]_{3}=[\mu_{2}]_{1}s_{13}e^{\theta_{13}}+[\mu_{2}]_{2}s_{23}e^{\theta_{23}}+[\mu_{2}]_{3}s_{33}.$ (2.38c) and the three columns of (2.36c) read: $[M_{3}]_{1}=[\mu_{2}]_{1}s_{11}+[\mu_{2}]_{2}s_{21}e^{\theta_{21}}+[\mu_{2}]_{3}s_{31}e^{\theta_{31}},$ (2.39a) $[M_{3}]_{2}=[\mu_{2}]_{1}s_{12}e^{\theta_{12}}+[\mu_{2}]_{2}s_{22}+[\mu_{2}]_{3}s_{32}e^{\theta_{32}},$ (2.39b) $[M_{3}]_{3}=[\mu_{2}]_{1}\frac{S_{13}}{(S^{T}s^{A})_{33}}e^{\theta_{13}}+[\mu_{2}]_{2}\frac{S_{23}}{(S^{T}s^{A})_{33}}e^{\theta_{23}}+[\mu_{2}]_{3}\frac{S_{33}}{(S^{T}s^{A})_{33}}.$ (2.39c) the three columns of (2.36d) read: $[M_{4}]_{1}=[\mu_{2}]_{1}s_{11}+[\mu_{2}]_{2}s_{21}e^{\theta_{21}}+[\mu_{2}]_{3}s_{31}e^{\theta_{31}},$ (2.40a) $[M_{4}]_{2}=[\mu_{2}]_{1}s_{12}e^{\theta_{12}}+[\mu_{2}]_{2}s_{22}+[\mu_{2}]_{3}s_{32}e^{\theta_{32}},$ (2.40b) $[M_{4}]_{3}=[\mu_{2}]_{3}\frac{1}{m_{33}(s)}.$ (2.40c) We first suppose that $k_{j}\in D_{1}$ is a simple zero of $s_{33}(k)$. Solving (2.37c) for $[\mu_{2}]_{2}$ and substituting the result in to (2.37a), we find $[M_{1}]_{1}=\frac{m_{12}(s)}{s_{33}s_{23}}e^{\theta_{31}}[M_{1}]_{3}+\frac{m_{32}(s)}{s_{23}}[\mu_{2}]_{2}-\frac{m_{12}(s)}{s_{23}}e^{\theta_{31}}[\mu_{2}]_{3}.$ Taking the residue of this equation at $k_{j}$, we find the condition (2.34a) in the case when $k_{j}\in D_{1}$. Similarly, Solving (2.38c) for $[\mu_{2}]_{2}$ and substituting the result in to (2.38a), we find $[M_{2}]_{1}=\frac{m_{12}(s)m_{33}(S)-m_{32}(s)m_{13}(S)}{(s^{T}S^{A})_{33}s_{23}}e^{\theta_{31}}[M_{1}]_{3}-\frac{m_{32}(s)}{s_{23}}[\mu_{2}]_{1}-\frac{m_{12}(s)}{s_{23}}e^{\theta_{31}}[\mu_{2}]_{3}.$ Taking the residue of this equation at $k_{j}$, we find the condition (2.34c) in the case when $k_{j}\in D_{2}$. In order to prove (2.34e), we solve (2.39a) and (2.39b) for $[\mu_{2}]_{1}$ and $[\mu_{2}]_{3}$, then substituting the result into (2.39c), we find $[M_{3}]_{3}=\frac{S_{13}s_{32}-S_{33}s_{12}}{(S^{T}s^{A})_{33}m_{23}(s)}e^{\theta_{13}}[M_{3}]_{1}+\frac{S_{33}s_{11}-S_{13}s_{31}}{(S^{T}s^{A})_{33}(k_{j})m_{23}(s)}e^{\theta_{23}}[M_{3}]_{2}+\frac{1}{m_{23}(s)}[\mu_{2}]_{3}.$ Taking the residue of this equation at $k_{j}$, we find the condition (2.34e) in the case when $k_{j}\in D_{3}$. Similarly, solving (2.40a) and (2.40b) for $[\mu_{2}]_{1}$ and $[\mu_{2}]_{3}$, then substituting the result into (2.40c), we find $[M_{4}]_{3}=\frac{s_{12}}{m_{33}(s)m_{23}(s)}e^{\theta_{13}}[M_{4}]_{1}-\frac{s_{11}}{m_{33}(s)m_{23}(s)}e^{\theta_{13}}[M_{4}]_{2}-\frac{1}{m_{23}(s)}e^{\theta_{23}}[\mu_{2}]_{2}.$ Taking the residue of this equation at $k_{j}$, we find the condition (2.34f) in the case when $k_{j}\in D_{4}$. ∎ ## 3\. The Riemann-Hilbert problem The sectionally analytic function $M(x,t,k)$ defined in section 2 satisfies a Riemann-Hilbert problem which can be formulated in terms of the initial and boundary values of $u(x,t)$. By solving this Riemann-Hilbert problem, the solution of (1.5)(then (1.3)) can be recovered for all values of $x,t$. ###### Theorem 3.1. Suppose that $u(x,t)$ is a solution of (1.5) in the half-line domain $\Omega$ with sufficient smoothness and decays as $x\rightarrow\infty$. Then $u(x,t)$ can be reconstructed from the initial value $\\{u_{0}(x)\\}$ and boundary values $\\{g_{0}(t),g_{1}(t),g_{2}(t)\\}$ defined as follows, $u_{0}(x)=u(x,0),\quad g_{0}(t)=u(0,t),\quad g_{1}(t)=u_{x}(0,t),\quad g_{2}(t)=u_{xx}(0,t).$ (3.1) Use the initial and boundary data to define the jump matrices $J_{m,n}(x,t,k)$ as well as the spectral $s(k)$ and $S(k)$ by equation (2.24). Assume that the possible zeros $\\{k_{j}\\}_{1}^{N}$ of the functions $s_{33}(k),(s^{T}S^{A})_{33}(k),(S^{T}s^{A})_{33}(k)$ and $m_{33}(s)(k)$ are as in assumption 2.3. Then the solution $\\{u(x,t)\\}$ is given by $u(x,t)=2i\lim_{k\rightarrow\infty}(kM(x,t,k))_{13}.$ (3.2) where $M(x,t,k)$ satisfies the following $3\times 3$ matrix Riemann-Hilbert problem: * • $M$ is sectionally meromorphic on the Riemann $k-$sphere with jumps across the contours $\bar{D}_{n}\cap\bar{D}_{m},n,m=1,\cdots,4$, see Figure 2. * • Across the contours $\bar{D}_{n}\cap\bar{D}_{m}$, $M$ satisfies the jump condition $M_{n}(x,t,k)=M_{m}(x,t,k)J_{m,n}(x,t,k),\quad k\in\bar{D}_{n}\cap\bar{D}_{m},n,m=1,2,3,4.$ (3.3) * • $M(x,t,k)=\mathbb{I}+O(\frac{1}{k}),\qquad k\rightarrow\infty$. * • The residue condition of $M$ is showed in Proposition 2.4. ###### Proof. It only remains to prove (3.2) and this equation follows from the large $k$ asymptotics of the eigenfunctions, see the appendix A. ∎ ## 4\. Non-linearizable Boundary Conditions A major difficulty of initial-boundary value problems is that some of the boundary values are unkown for a well-posed problem. All boundary values are needed for the definition of $S(k)$, and hence for the formulation of the Riemann-Hilbert problem. Our main result expresses the spectral function $S(k)$ in terms of the prescribed boundary data and the initial data via the solution of a system of nonlinear integral equations. ### 4.1. Asymptotics An analysis of (A.2) shows that the eigenfunctions $\\{\mu_{j}\\}_{1}^{3}$ have the following asymptotics as $k\rightarrow\infty$ (see the appendix A): $\begin{array}[]{l}\mu_{j}(x,t,k)=\mathbb{I}+\frac{1}{k}\left(\begin{array}[]{lll}\frac{i}{2}\int_{(x_{j},t_{j})}^{(x,t)}\Delta&\frac{i}{2}\int_{(x_{j},t_{j})}^{(x,t)}\Delta_{1}&\frac{1}{2i}u\\\ \frac{i}{2}\int_{(x_{j},t_{j})}^{(x,t)}\Delta_{2}&\frac{i}{2}\int_{(x_{j},t_{j})}^{(x,t)}\Delta&\frac{1}{2i}\bar{u}\\\ \frac{1}{2i}\bar{u}&\frac{1}{2i}u&-i\int_{(x_{j},t_{j})}^{(x,t)}\Delta\end{array}\right)\\\ +\frac{1}{k^{2}}\left(\begin{array}[]{lll}-\frac{1}{4}\int_{(x_{j},t_{j})}^{(x,t)}(\eta+\nu_{1})&-\frac{1}{4}\int_{(x_{j},t_{j})}^{(x,t)}\eta_{1}&\mu^{(2)}_{13}\\\ -\frac{1}{4}\int_{(x_{j},t_{j})}^{(x,t)}\eta_{2}&-\frac{1}{4}\int_{(x_{j},t_{j})}^{(x,t)}(\eta+\nu_{2})&\mu^{(2)}_{23}\\\ \mu^{(2)}_{31}&\mu^{(2)}_{32}&\int_{(x_{j},t_{j})}^{(x,t)}\eta_{3}\\\ \end{array}\right)\\\ +\frac{1}{k^{3}}\left(\begin{array}[]{lll}\mu^{(3)}_{11}&\mu^{(3)}_{12}&\mu^{(3)}_{13}\\\ \mu^{(3)}_{21}&\mu^{(3)}_{22}&\mu^{(3)}_{23}\\\ \mu^{(3)}_{31}&\mu^{(3)}_{32}&\mu^{(3)}_{33}\end{array}\right)+O(\frac{1}{k^{4}})\end{array}$ (4.1a) where $\begin{array}[]{l}\Delta=-|u|^{2}dx+(u\bar{u}_{xx}+u_{xx}\bar{u}-u_{x}\bar{u}_{x}+6|u|^{4})dt\\\ \Delta_{1}=-u^{2}dx+(uu_{xx}+u_{xx}u-(u_{x})^{2}+6|u|^{2}u^{2})dt\\\ \Delta_{2}=-\bar{u}^{2}dx+(\bar{u}\bar{u}_{xx}+\bar{u}_{xx}\bar{u}-(\bar{u}_{x})^{2}+6|u|^{2}\bar{u}^{2})dt\end{array}$ (4.2a) $\begin{array}[]{l}\mu^{(2)}_{13}=-\frac{1}{2}u\int_{(x_{j},t_{j})}^{(x,t)}\Delta+\frac{1}{4}u_{x}\\\ \mu^{(2)}_{23}=-\frac{1}{2}\bar{u}\int_{(x_{j},t_{j})}^{(x,t)}\Delta+\frac{1}{4}\bar{u}_{x}\\\ \mu^{(2)}_{31}=\frac{1}{4}(\bar{u}\int_{(x_{j},t_{j})}^{(x,t)}\Delta+u\int_{(x_{j},t_{j})}^{(x,t)}\Delta_{2})-\frac{1}{4}\bar{u}_{x}\\\ \mu^{(2)}_{32}=\frac{1}{4}(\bar{u}\int_{(x_{j},t_{j})}^{(x,t)}\Delta_{1}+u\int_{(x_{j},t_{j})}^{(x,t)}\Delta)-\frac{1}{4}u_{x}.\end{array}$ (4.2b) $\begin{array}[]{l}\eta=d[\frac{1}{2}(\int_{(x_{j},t_{j})}^{(x,t)}\Delta)^{2}]\\\ \nu_{1}=\Delta_{1}\int_{(x_{j},t_{j})}^{(x,t)}\Delta_{2}+(u\bar{u}_{x})dx+(u\bar{u}_{t}-2|u|^{2}(u\bar{u}_{x}-u_{x}\bar{u})-(u_{xx}\bar{u}_{x}-u_{x}\bar{u}_{xx}))dt\\\ \eta_{1}=\int_{(x_{j},t_{j})}^{(x,t)}\Delta\int_{(x_{j},t_{j})}^{(x,t)}\Delta_{1}+u^{2}\\\ \eta_{2}=\int_{(x_{j},t_{j})}^{(x,t)}\Delta\int_{(x_{j},t_{j})}^{(x,t)}\Delta_{2}+\bar{u}^{2}\\\ \nu_{2}=\Delta_{2}\int_{(x_{j},t_{j})}^{(x,t)}\Delta_{1}+(\bar{u}u_{x})dx+(\bar{u}u_{t}-2|u|^{2}(\bar{u}u_{x}-\bar{u}_{x}u)-(\bar{u}_{xx}u_{x}-\bar{u}_{x}u_{xx}))dt,\\\ \eta_{3}=d[-\frac{1}{2}(\int_{(x_{j},t_{j})}^{(x,t)}\Delta)^{2}-\frac{1}{4}|u|^{2}].\end{array}$ (4.2c) and in the following we just use $\mu^{(3)}_{13},\mu^{(3)}_{23},\mu^{(3)}_{31}$ and $\mu^{(3)}_{32}$, so we only compute these functions $\begin{array}[]{l}\mu^{(3)}_{13}=\frac{1}{2i}u\mu^{(2)}_{33}+\frac{1}{4}u_{x}\mu^{(1)}_{33}+\frac{i}{4}|u|^{2}u+\frac{i}{8}u_{xx}\\\ \mu^{(3)}_{23}=\frac{1}{2i}\bar{u}\mu^{(2)}_{33}+\frac{1}{4}\bar{u}_{x}\mu^{(1)}_{33}+\frac{i}{4}|u|^{2}\bar{u}+\frac{i}{8}\bar{u}_{xx}\\\ \mu^{(3)}_{31}=\frac{1}{2i}(\bar{u}\mu^{(2)_{11}}+u\mu^{(2)}_{21})-\frac{1}{4}(\bar{u}_{x}\mu^{(1)_{11}}+u_{x}\mu^{(1)}_{21})+\frac{i}{4}|u|^{2}\bar{u}+\frac{i}{8}\bar{u}_{xx}\\\ \mu^{(3)}_{32}=\frac{1}{2i}(\bar{u}\mu^{(2)_{12}}+u\mu^{(2)}_{22})-\frac{1}{4}(\bar{u}_{x}\mu^{(1)_{12}}+u_{x}\mu^{(1)}_{22})+\frac{i}{4}|u|^{2}u+\frac{i}{8}u_{xx}\end{array}$ (4.2d) From the global relation (2.33)and replacing $T$ by $t$, we find $\mu_{2}(0,t,k)e^{-4ik^{3}t\hat{\Lambda}}s(k)=c(t,k),\quad k\in(D_{3}\cup D_{4},D_{3}\cup D_{4},D_{1}\cup D_{2}).$ (4.3) We define functions $\\{\Phi_{13}(t,k),\Phi_{23}(t,k),\Phi_{33}(t,k)\\}$ and $\\{c_{j}(t,k)\\}_{1}^{3}$ by: $\mu_{2}(0,t,k)=\left(\begin{array}[]{lll}\Phi_{11}(t,k)&\Phi_{12}(t,k)&\Phi_{13}(t,k)\\\ \Phi_{21}(t,k)&\Phi_{22}(t,k)&\Phi_{23}(t,k)\\\ \Phi_{31}(t,k)&\Phi_{32}(t,k)&\Phi_{33}(t,k)\end{array}\right),\quad\frac{[c(t,k)]_{3}}{s_{33}(k)}=\left(\begin{array}[]{l}c_{1}(t,k)\\\ c_{2}(t,k)\\\ c_{3}(t,k)\end{array}\right).$ (4.4) we can write the $(13)$ and $(23)$ entries of the global relation as $\Phi_{11}(t,k)e^{-8ik^{3}t}\frac{s_{13}}{s_{33}}+\Phi_{12}(t,k)e^{-8ik^{3}t}\frac{s_{23}}{s_{33}}+\Phi_{13}(t,k)=c_{1}(t,k),\quad k\in D_{1}\cup D_{2},$ (4.5a) $\Phi_{21}(t,k)e^{-8ik^{3}t}\frac{s_{13}}{s_{33}}+\Phi_{22}(t,k)e^{-8ik^{3}t}\frac{s_{23}}{s_{33}}+\Phi_{23}(t,k)=c_{2}(t,k),\quad k\in D_{1}\cup D_{2},$ (4.5b) The functions $\\{c_{j}(t,k)\\}_{1}^{3}$ are analytic and bounded in $D_{1}\cup D_{2}$ away from the possible zeros of $s_{33}(k)$ and of order $O(\frac{1}{k})$ as $k\rightarrow\infty$. From the asymptotic of $\mu_{j}(x,t,k)$ in (4.1a) we have $\left(\begin{array}[]{l}s_{13}(k)\\\ s_{23}(k)\\\ s_{33}(k)\end{array}\right)=\left(\begin{array}[]{l}0\\\ 0\\\ 1\end{array}\right)+\frac{1}{2ik}\left(\begin{array}[]{l}u(0,0)\\\ \bar{u}(0,0)\\\ 2\int_{(\infty,0)}^{(0,0)}\Delta\end{array}\right)+O(\frac{1}{k^{2}}).$ (4.6) and $\Phi_{j3}(t,k)=\frac{\Phi_{j3}^{(1)}(t)}{k}+\frac{\Phi_{j3}^{(2)}(t)}{k^{2}}+\frac{\Phi_{j3}^{(3)}(t)}{k^{3}}+O(\frac{1}{k^{4}}),$ (4.7a) $\Phi_{33}(t,k)=1+\frac{\Phi_{33}^{(1)}(t)}{k}+\frac{\Phi_{33}^{(2)}(t)}{k^{2}}+O(\frac{1}{k^{3}}),\quad k\rightarrow\infty,k\in D_{1}\cup D_{2}.$ (4.7b) where $\begin{array}[]{ll}\Phi_{j3}^{(1)}(t)=\frac{1}{2i}g_{0}(t)^{T},&\Phi_{j3}^{(2)}(t)=\frac{1}{4}g_{1}(t)^{T}-\frac{1}{2}g_{0}^{T}\int_{(0,0)}^{(x,t)}\Delta\\\ \Phi_{j3}^{(3)}(t)=\frac{1}{2i}g_{0}^{T}\Phi^{(2)}_{33}+\frac{1}{4}g_{1}^{T}\Phi^{(1)}_{33}+\frac{i}{4}|u|^{2}g_{0}^{T}+\frac{i}{8}g_{2}^{T},&\\\ \Phi_{33}^{(1)}(t)=-i\int_{(0,0)}^{(x,t)}\Delta,&\Phi_{33}^{(2)}(t)=\int_{(x_{j},t_{j})}^{(x,t)}\eta_{3}.\end{array}$ Here the definition of $\Phi_{j3}(t,k)$ can be found in the appendix A. In particular, we find the following expressions for the boudary values: $g_{0}^{T}=2i\Phi_{j3}^{(1)}(t),$ (4.8a) $g_{1}^{T}=2ig_{0}^{T}\Phi_{33}^{(1)}(t)+4\Phi_{j3}^{(2)}(t),$ (4.8b) $g_{2}^{T}=-2|g_{0}|^{2}g_{0}^{T}+2ig_{1}^{T}\Phi_{33}^{(1)}(t)+4g_{0}^{T}\Phi_{33}^{(2)}(t)-8i\Phi_{j3}^{(3)}(t).$ (4.8c) We will also need the asymptotic of $c_{j}(t,k)$, ###### Lemma 4.1. The global relation (4.5) implies that the large $k$ behavior of $c_{j}(t,k)$ satisfies $c_{j}(t,k)=\frac{\Phi_{j3}^{(1)}(t)}{k}+\frac{\Phi_{j3}^{(2)}(t)}{k}+\frac{\Phi_{j3}^{(3)}(t)}{k}+O(\frac{1}{k^{4}}),\quad k\rightarrow\infty,k\in D_{1}.$ (4.9) ###### Proof. See the appendix B. ∎ ### 4.2. The Dirichlet and Neumann problems We can now derive effective characterizations of spectral function $S(k)$ for the Dirichlet ($g_{0}$ prescribed), the first Neumann ($g_{1}$ prescribed), and the second Neumann ($g_{2}$ prescribed) problems. Define $\alpha$ by $\alpha=e^{\frac{2\pi i}{3}}$ and let $\\{\Pi_{j}(t,k),\hat{\Pi}_{j}(t,k),\tilde{\Pi}_{j}(t,k)\\}_{1}^{3}$ denote the following combinations formed from $\\{\Phi_{j3}(t,k)\\}_{1}^{3}$: $\begin{array}[]{l}\Pi_{j}(t,k)=\Phi_{j3}(t,k)+\alpha\Phi_{j3}(t,\alpha k)+\alpha^{2}\Phi_{j3}(t,\alpha^{2}k),\quad j=1,2,3,\\\ \hat{\Pi}_{j}(t,k)=\Phi_{j3}(t,k)+\alpha^{2}\Phi_{j3}(t,\alpha k)+\alpha\Phi_{j3}(t,\alpha^{2}k),\quad j=1,2,3,\\\ \tilde{\Pi}_{j}(t,k)=\Phi_{j3}(t,k)+\Phi_{j3}(t,\alpha k)+\Phi_{j3}(t,\alpha^{2}k),\quad j=1,2,3.\end{array}$ (4.10) And let $R(k)=\Phi_{11}\frac{s_{13}}{s_{33}}+\Phi_{12}\frac{s_{23}}{s_{33}}$. Let $D_{1}=D_{1}^{{}^{\prime}}\cup D_{1}^{{}^{\prime\prime}}$ where $D_{1}^{{}^{\prime}}=D_{1}\cap\\{\mathrm{Re}k>0\\}$ and $D_{1}^{{}^{\prime\prime}}=D_{1}\cap\\{\mathrm{Re}k<0\\}$. Similarly, let $D_{4}=D_{4}^{{}^{\prime}}\cup D_{4}^{{}^{\prime\prime}}$ where $D_{4}^{{}^{\prime}}=D_{4}\cap\\{\mathrm{Re}k>0\\}$ and $D_{4}^{{}^{\prime\prime}}=D_{1}\cap\\{\mathrm{Re}k<0\\}$. ###### Theorem 4.2. Let $T<\infty$. Let $u_{0}(x),u\geq 0$, be a function of Schwartz class. For the Dirichlet problem it is assumed that the function $g_{0}(t),0\leq t<T$, has sufficient smoothness and is compatible with $u_{0}(x)$ at $x=t=0$. For the first Neumann problem it is assumed that the function $g_{1}(t),0\leq t<T$, has sufficient smoothness and is compatible with $u_{0}(x)$ at $x=t=0$. Similarly, for the second Neumann problem it is assumed that the function $g_{2}(t),0\leq t<T$, has sufficient smoothness and is compatible with $u_{0}(x)$ at $x=t=0$. Suppose that $s_{33}(k)$ has a finite number of simple zeros in $D_{1}$. Then the spectral function $S(k)$ is given by $S(k)=\left(\begin{array}[]{ccc}A(k)&B(k)&e^{8ik^{3}T}C(k)\\\ D(k)&E(k)&e^{8ik^{3}T}F(k)\\\ e^{-8ik^{3}T}G(k)&e^{-8ik^{3}T}H(k)&I(k)\end{array}\right)$ (4.11) where $\begin{array}[]{ll}A(k)=\Phi_{22}(k)\Phi_{33}(k)-\Phi_{23}(k)\Phi_{32}(k)&B(k)=\Phi_{13}(k)\Phi_{22}(k)-\Phi_{12}(k)\Phi_{33}(k)\\\ C(k)=\Phi_{12}(k)\Phi_{23}(k)-\Phi_{13}(k)\Phi_{22}(k)&D(k)=\Phi_{23}(k)\Phi_{31}(k)-\Phi_{21}(k)\Phi_{33}(k)\\\ E(k)=\Phi_{11}(k)\Phi_{33}(k)-\Phi_{13}(k)\Phi_{31}(k)&F(k)=\Phi_{21}(k)\Phi_{13}(k)-\Phi_{11}(k)\Phi_{23}(k)\\\ G(k)=\Phi_{21}(k)\Phi_{32}(k)-\Phi_{22}(k)\Phi_{31}(k)&H(k)=\Phi_{12}(k)\Phi_{31}(k)-\Phi_{11}(k)\Phi_{32}(k)\\\ I(k)=\Phi_{11}(k)\Phi_{22}(k)-\Phi_{12}(k)\Phi_{21}(k)&\end{array}$ and the complex-value functions $\\{\Phi_{l3}(t,k)\\}_{l=1}^{3}$ satisfy the following system of integral equations: $\begin{array}[]{rl}\Phi_{13}(t,k)&=\int_{0}^{t}e^{-8ik^{3}(t-t^{\prime})}\left[(2ik|g_{0}|^{2}+(g_{0}\bar{g}_{1}-g_{1}\bar{g}_{0}))\Phi_{13}\right.\\\ &\left.+g_{0}^{2}\Phi_{23}+(4k^{2}g_{0}+2ikg_{1}-4|g_{0}|^{2}g_{0}-g_{2})\Phi_{33}\right](t^{\prime},k)dt^{\prime}\end{array}$ (4.12a) $\begin{array}[]{rl}\Phi_{23}(t,k)&=\int_{0}^{t}e^{-8ik^{3}(t-t^{\prime})}\left[(2ik|g_{0}|^{2}-(g_{0}\bar{g}_{1}-g_{1}\bar{g}_{0}))\Phi_{13}\right.\\\ &\left.+\bar{g}_{0}^{2}\Phi_{23}+(4k^{2}\bar{g}_{0}+2ik\bar{g}_{1}-4|g_{0}|^{2}\bar{g}_{0}-\bar{g}_{2})\Phi_{33}\right](t^{\prime},k)dt^{\prime}\end{array}$ (4.12b) $\begin{array}[]{rl}\Phi_{33}(t,k)&=1+\int_{0}^{t}\left[(-4k^{2}\bar{g}_{0}+2ik\bar{g}_{1}+4|g_{0}|^{2}+\bar{g}_{2})\Phi_{13}\right.\\\ &\left.+(-4k^{2}g_{0}+2ikg_{1}+4|g_{0}|^{2}+g_{2})\Phi_{23}+-4ik|g_{0}|^{2}\Phi_{33}\right](t^{\prime},k)dt^{\prime}\end{array}$ (4.12c) and $\\{\Phi_{l1}(t,k)\\}_{l=1}^{3},\\{\Phi_{l2}(t,k)\\}_{l=1}^{3}$ satisfy the following system of integral equations: $\begin{array}[]{rl}\Phi_{11}(t,k)&=1+\int_{0}^{t}\left[(2ik|g_{0}|^{2}+(g_{0}\bar{g}_{1}-g_{1}\bar{g}_{0}))\Phi_{11}\right.\\\ &\left.+g_{0}^{2}\Phi_{21}+(4k^{2}g_{0}+2ikg_{1}-4|g_{0}|^{2}g_{0}-g_{2})\Phi_{31}\right](t^{\prime},k)dt^{\prime}\end{array}$ (4.13a) $\begin{array}[]{rl}\Phi_{21}(t,k)&=\int_{0}^{t}\left[(2ik|g_{0}|^{2}-(g_{0}\bar{g}_{1}-g_{1}\bar{g}_{0}))\Phi_{11}\right.\\\ &\left.+\bar{g}_{0}^{2}\Phi_{21}+(4k^{2}\bar{g}_{0}+2ik\bar{g}_{1}-4|g_{0}|^{2}\bar{g}_{0}-\bar{g}_{2})\Phi_{31}\right](t^{\prime},k)dt^{\prime}\end{array}$ (4.13b) $\begin{array}[]{rl}\Phi_{33}(t,k)&=\int_{0}^{t}e^{8ik^{3}(t-t^{\prime})}\left[(-4k^{2}\bar{g}_{0}+2ik\bar{g}_{1}+4|g_{0}|^{2}+\bar{g}_{2})\Phi_{11}\right.\\\ &\left.+(-4k^{2}g_{0}+2ikg_{1}+4|g_{0}|^{2}+g_{2})\Phi_{21}+-4ik|g_{0}|^{2}\Phi_{31}\right](t^{\prime},k)dt^{\prime}\end{array}$ (4.13c) $\begin{array}[]{rl}\Phi_{12}(t,k)&=\int_{0}^{t}\left[(2ik|g_{0}|^{2}+(g_{0}\bar{g}_{1}-g_{1}\bar{g}_{0}))\Phi_{12}\right.\\\ &\left.+g_{0}^{2}\Phi_{22}+(4k^{2}g_{0}+2ikg_{1}-4|g_{0}|^{2}g_{0}-g_{2})\Phi_{32}\right](t^{\prime},k)dt^{\prime}\end{array}$ (4.14a) $\begin{array}[]{rl}\Phi_{22}(t,k)&=1+\int_{0}^{t}\left[(2ik|g_{0}|^{2}-(g_{0}\bar{g}_{1}-g_{1}\bar{g}_{0}))\Phi_{12}\right.\\\ &\left.+\bar{g}_{0}^{2}\Phi_{22}+(4k^{2}\bar{g}_{0}+2ik\bar{g}_{1}-4|g_{0}|^{2}\bar{g}_{0}-\bar{g}_{2})\Phi_{32}\right](t^{\prime},k)dt^{\prime}\end{array}$ (4.14b) $\begin{array}[]{rl}\Phi_{32}(t,k)&=\int_{0}^{t}e^{8ik^{3}(t-t^{\prime})}\left[(-4k^{2}\bar{g}_{0}+2ik\bar{g}_{1}+4|g_{0}|^{2}+\bar{g}_{2})\Phi_{12}\right.\\\ &\left.+(-4k^{2}g_{0}+2ikg_{1}+4|g_{0}|^{2}+g_{2})\Phi_{22}+-4ik|g_{0}|^{2}\Phi_{32}\right](t^{\prime},k)dt^{\prime}\end{array}$ (4.14c) 1. (i) For the Dirichlet problem, the unknown Neumann boundary values $g_{1}(t)$ and $g_{2}(t)$ are given by $\begin{array}[]{rl}g_{1}(t)=&\frac{2g_{0}(t)}{\pi}\int_{\partial D_{3}}\Pi_{3}(t,k)dk+\frac{2}{\pi i}\int_{\partial D_{3}}\left[k\Pi_{1}(t,k)-\frac{3g_{0}(t)}{2i}\right]dk\\\ &-\frac{2}{\pi i}\int_{\partial D_{3}}ke^{-8ik^{3}t}[(\alpha^{2}-\alpha)R(\alpha k)+(\alpha-\alpha^{2})R(\alpha^{2}k)]dk\\\ &+4\left\\{(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}k_{j}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k).\end{array}$ (4.15a) and $\begin{array}[]{rl}g_{2}(t)=&g_{0}(t)^{3}-\frac{4}{\pi}\int_{\partial D_{3}}\left[k^{2}\Pi_{1}(t,k)-\frac{3kg_{0}(t)}{2i}\right]dk\\\ &+\frac{4}{\pi}\int_{\partial D_{3}}k^{2}e^{-8ik^{3}t}\left[(1-\alpha)R(\alpha k)+(1-\alpha^{2})R(\alpha^{2}k)\right]dk\\\ &-8i\left\\{(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}k_{j}^{2}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k)\\\ &+\frac{4g_{0}(t)}{\pi i}\int_{\partial D_{3}}k\hat{\Pi}_{3}(t,k)dk+\frac{2g_{1}(t)}{\pi}\int_{\partial D_{3}}\Pi_{3}(t,k)dk.\end{array}$ (4.15b) 2. (ii) For the first Neumann problem, the unknown boundary values $g_{0}(t)$ and $g_{2}(t)$ are given by $\begin{array}[]{rl}g_{0}(t)=&\frac{1}{\pi}\int_{\partial D_{3}}\hat{\Pi}_{1}(t,k)dk-\frac{1}{\pi}\int_{\partial D_{3}}e^{-8ik^{3}t}\left[(\alpha-alpha^{2})R(\alpha k)+(\alpha^{2}-\alpha)R(\alpha^{2}k)\right]dk\\\ &+2i\left\\{(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k),\end{array}$ (4.16a) and $\begin{array}[]{rl}g_{2}(t)=&g_{0}^{3}(t)-\frac{4}{\pi}\int_{\partial D_{3}}\left(k^{2}\hat{\Pi}_{1}(t,k)-\frac{3}{\pi i}\int_{\partial D_{3}}l\hat{\Pi}_{1}(t,l)dl\right)dk\\\ &+\frac{4}{\pi}\int_{\partial D_{3}}k^{2}e^{-8ik^{3}t}\left[(1-\alpha^{2})R(\alpha k)+(1-\alpha)R(\alpha^{2}k)\right]dk\\\ &-8i\left\\{(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}k_{j}^{2}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k)\\\ &+\frac{4g_{0}(t)}{\pi i}\int_{\partial D_{3}}k\hat{\Pi}_{3}(t,k)dk+\frac{2g_{1}(t)}{\pi}\int_{\partial D_{3}}\Pi_{3}(t,k)dk.\end{array}$ (4.16b) 3. (iii) For the second Neumann problem, the unknown boundary values $g_{0}(t)$ and $g_{1}(t)$ are given by $\begin{array}[]{rl}g_{0}(t)=&\frac{1}{\pi}\int_{\partial D_{3}}\hat{\Pi}_{1}(t,k)dk-\frac{1}{\pi}\int_{\partial D_{3}}e^{-8ik^{3}t}\left[(\alpha-alpha^{2})R(\alpha k)+(\alpha^{2}-\alpha)R(\alpha^{2}k)\right]dk\\\ &+2i\left\\{(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k),\end{array}$ (4.17a) and $\begin{array}[]{rl}g_{1}(t)=&\frac{2g_{0}(t)}{\pi}\int_{\partial D_{3}}\Pi_{3}(t,k)dk+\frac{2}{\pi i}\int_{\partial D_{3}}k\tilde{\Pi}_{1}(t,k)dk\\\ &-\frac{2}{\pi i}\int_{\partial D_{3}}ke^{-8ik^{3}t}\left[(\alpha^{2}-1)R(\alpha k)+(\alpha-1)R(\alpha^{2}k)\right]dk\\\ &+4\left\\{(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}k_{j}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k).\end{array}$ (4.17b) ###### Proof. The representations (4.11) follow from the relation $S(k)=e^{8ik^{3}T}\mu_{2}^{A}(0,T,k)^{T}$. And the system (4.12) is the direct result of the Volteral integral equations of $\mu_{2}(0,t,k)$. 1. (i) In order to derive (4.15a) we note that equation (4.8b) expresses $g_{1}$ in terms of $\Phi_{33}^{(1)}$ and $\Phi_{13}^{(2)}$. Furthermore, equation (4.7) and Cauchy theorem imply $-\frac{2\pi i}{3}\Phi_{33}^{(1)}(t)=2\int_{\partial D_{2}}[\Phi_{33}(t,k)-1]dk=\int_{\partial D_{4}}[\Phi_{33}(t,k)-1]dk$ and $-\frac{2\pi i}{3}\Phi_{13}^{(2)}(t)=2\int_{\partial D_{2}}\left[k\Phi_{13}(t)-\frac{g_{0}(t)}{2i}\right]dk=\int_{\partial D_{4}}\left[k\Phi_{13}(t)-\frac{g_{0}(t)}{2i}\right]dk.$ Thus, $\begin{array}[]{l}i\pi\Phi_{33}^{(1)}(t)=-\left(\int_{\partial D_{2}}+\int_{\partial D_{4}}\right)[\Phi_{33}(t,k)-1]dk=\left(\int_{\partial D_{1}}+\int_{\partial D_{3}}\right)[\Phi_{33}(t,k)-1]dk\\\ =\int_{\partial D_{3}}[\Phi_{33}(t,k)-1]dk+\alpha\int_{\partial D_{3}}[\Phi_{33}(t,k)-1]dk+\alpha^{2}\int_{\partial D_{3}}[\Phi_{33}(t,k)-1]dk\\\ =\int_{\partial D_{3}}\Pi_{3}(t,k)dk.\end{array}$ (4.18) Similarly, $\begin{array}[]{l}i\pi\Phi_{13}^{(2)}(t)=\left(\int_{\partial D_{3}}+\int_{\partial D_{1}}\right)\left[k\Phi_{13}(t)-\frac{g_{0}(t)}{2i}\right]dk\\\ =\left(\int_{\partial D_{3}}+\alpha^{2}\int_{\partial D_{1}^{{}^{\prime}}}+\alpha\int_{\partial D_{1}^{{}^{\prime\prime}}}\right)\left[k\Phi_{13}(t)-\frac{g_{0}(t)}{2i}\right]dk+I(t)\\\ =\int_{\partial D_{3}}\left[k\Pi_{1}(t,k)-\frac{3g_{0}(t)}{2i}\right]dk+I(t).\end{array}$ (4.19) where $I(t)$ is defined by $I(t)=\left((1-\alpha^{2})\int_{\partial D_{1}^{{}^{\prime}}}+(1-\alpha)\int_{\partial D_{1}^{{}^{\prime\prime}}}\right)\left[k\Phi_{13}(t)-\frac{g_{0}(t)}{2i}\right]dk$ The last step involves using the global relation to compute $I(t)$ $\begin{array}[]{r}I(t)=\left((1-\alpha^{2})\int_{\partial D_{1}^{{}^{\prime}}}+(1-\alpha)\int_{\partial D_{1}^{{}^{\prime\prime}}}\right)\left[kc_{1}(t,k)-\frac{g_{0}(t)}{2i}\right]dk\\\ -\left((1-\alpha^{2})\int_{\partial D_{1}^{{}^{\prime}}}+(1-\alpha)\int_{\partial D_{1}^{{}^{\prime\prime}}}\right)ke^{-8ik^{3}t}R(k)dk\end{array}$ (4.20) Using the asymptotic (4.9) and Cauchy theorem to compute the first term on the right-hand side of equation (4.20) and using the transformation $k\rightarrow\alpha k$ and $k\rightarrow\alpha^{2}k$ in the second term on the right-hand side of (4.20), we find $\begin{array}[]{r}I(t)=-i\pi\Phi_{13}^{(2)}(t)-\int_{\partial D_{3}}ke^{-8ik^{3}t}\left[(\alpha^{2}-\alpha)R(\alpha k)+(\alpha-\alpha^{2})R(\alpha^{2}k)\right]dk\\\ +2\pi i\left\\{(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}ke^{-8ik_{j}^{3}t}Res_{k_{j}}R(k).\end{array}$ (4.21) Equations (4.19) and (4.21) imply $\begin{array}[]{l}\Phi_{13}^{(2)}(t)=\frac{1}{2\pi i}\int_{\partial D_{3}}\left[k\Pi_{1}(t,k)-\frac{3g_{0}(t)}{2i}\right]dk\\\ -\frac{1}{2\pi i}\int_{\partial D_{3}}ke^{-8ik^{3}t}\left[(\alpha^{2}-\alpha)R(\alpha k)+(\alpha-\alpha^{2})R(\alpha^{2}k)\right]dk\\\ \left\\{(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}k_{j}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k).\end{array}$ This equation together with (4.8b) and (4.18) yields (4.15a). In order to derive (4.15b), we note that (4.8c) expresses $g_{2}$ in terms of $\Phi_{13}^{(3)}$, $\Phi_{33}^{(2)}$ and $\Phi_{33}^{(1)}$. Equation (4.15b) follows from the expression (4.18) for $\Phi_{33}^{(1)}$ and the following formulas: $\Phi_{33}^{(2)}(t)=\frac{1}{\pi i}\int_{\partial D_{3}}k\hat{\Pi}_{3}dk,$ (4.22a) $\begin{array}[]{l}\Phi_{13}^{(3)}(t)=\frac{1}{2\pi i}\int_{\partial D_{3}}\left[k^{2}\Pi_{1}(t,k)-\frac{3kg_{0}(t)}{2i}\right]dk\\\ -\frac{1}{2\pi i}\int_{\partial D_{3}}k^{2}e^{-8ik^{3}t}\left[(1-\alpha)R(\alpha k)+(1-\alpha^{2})R(\alpha^{2}k)\right]dk\\\ \left\\{(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}k_{j}^{2}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k).\end{array}$ (4.22b) 2. (ii) In order to derive the representations (4.16) relevant for the first Neumann problem, we use (4.8) together with (4.18), (4.22a) and the following formulas: $\begin{array}[]{l}\Phi_{13}^{(1)}(t)=\frac{1}{2\pi i}\int_{\partial D_{3}}\hat{\Pi}_{1}(t,k)dk\\\ -\frac{1}{2\pi i}\int_{\partial D_{3}}e^{-8ik^{3}t}\left[(\alpha-\alpha^{2})R(\alpha k)+(\alpha^{2}-\alpha)R(\alpha^{2}k)\right]dk\\\ \left\\{(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k).\end{array}$ (4.23a) $\Phi_{13}^{(2)}(t)=\frac{1}{\pi i}\int_{\partial D_{3}}k\hat{\Pi}_{1}dk,$ (4.23b) $\begin{array}[]{l}\Phi_{13}^{(3)}(t)=\frac{1}{2\pi i}\int_{\partial D_{3}}\left[k^{2}\hat{\Pi}_{1}(t,k)-3\Phi_{13}^{(2)}\right]dk\\\ -\frac{1}{2\pi i}\int_{\partial D_{3}}k^{2}e^{-8ik^{3}t}\left[(1-\alpha^{2})R(\alpha k)+(1-\alpha)R(\alpha^{2}k)\right]dk\\\ \left\\{(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}k_{j}^{2}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k).\end{array}$ (4.23c) 3. (iii) In order to derive the representations (4.17) relevant for the second Neumann problem, we use (4.8) together with (4.18) and the following formulas: $\begin{array}[]{l}\Phi_{13}^{(1)}(t)=\frac{1}{2\pi i}\int_{\partial D_{3}}\tilde{\Pi}_{1}(t,k)dk\\\ -\frac{1}{2\pi i}\int_{\partial D_{3}}e^{-8ik^{3}t}\left[(\alpha-1)R(\alpha k)+(\alpha^{2}-1)R(\alpha^{2}k)\right]dk\\\ \left\\{(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k).\end{array}$ (4.24a) $\begin{array}[]{l}\Phi_{13}^{(2)}(t)=\frac{1}{2\pi i}\int_{\partial D_{3}}k\tilde{\Pi}_{1}(t,k)dk\\\ -\frac{1}{2\pi i}\int_{\partial D_{3}}ke^{-8ik^{3}t}\left[(\alpha^{2}-1)R(\alpha k)+(\alpha-1)R(\alpha^{2}k)\right]dk\\\ \left\\{(1-\alpha)\sum_{k_{j}\in D_{1}^{{}^{\prime}}}+(1-\alpha^{2})\sum_{k_{j}\in D_{1}^{{}^{\prime\prime}}}\right\\}e^{-8ik_{j}^{3}t}Res_{k_{j}}R(k).\end{array}$ (4.24b) ∎ ### 4.3. Effective characterizations Substituting into the system (4.12) the expressions $\Phi_{ij}=\Phi^{(0)}_{ij}+\varepsilon\Phi^{(1)}_{ij}+\varepsilon^{2}\Phi^{(2)}_{ij}+\cdots,\quad i,j=1,2,3.$ (4.25a) $g_{0}=\varepsilon g_{01}+\varepsilon^{2}g_{02}+\cdots,$ (4.25b) $g_{1}=\varepsilon g_{11}+\varepsilon^{2}g_{12}+\cdots,$ (4.25c) $g_{2}=\varepsilon g_{21}+\varepsilon^{2}g_{22}+\cdots,$ (4.25d) where $\varepsilon>0$ is a small parameter, we find that the terms of $O(1)$ give $\Phi^{(0)}_{13}=\Phi^{(0)}_{23}=0$ and $\Phi^{(0)}_{33}=1$. Moreover, the terms of $O(\varepsilon)$ give $\Phi^{(1)}_{33}=0$ and $O(\varepsilon):\quad\Phi^{(1)}_{13}(t,k)=\int_{0}^{t}e^{-8ik^{3}(t-t^{\prime})}(4k^{2}g_{01}+2ikg_{11}-g_{21})(t^{\prime},k)dt^{\prime},$ (4.26) From the above equation (4.26) we can get $\Pi^{(1)}_{1}(t,k)=12k^{2}\int_{0}^{t}e^{-8ik^{3}(t-t^{\prime})}g_{01}(t^{\prime})dt^{\prime},$ (4.27a) $\hat{\Pi}^{(1)}_{1}(t,k)=6ik\int_{0}^{t}e^{-8ik^{3}(t-t^{\prime})}g_{11}(t^{\prime})dt^{\prime},$ (4.27b) $\tilde{\Pi}^{(1)}_{1}(t,k)=-3\int_{0}^{t}e^{-8ik^{3}(t-t^{\prime})}g_{11}(t^{\prime})dt^{\prime},$ (4.27c) The Dirichlet problem can now be solved perturbatively as follows: assuming for simplicity that $s_{33}(k)$ has no zeros and expanding (4.15a) and (4.15b), we find $\begin{array}[]{rl}g_{11}=&\frac{2}{\pi i}\int_{\partial D_{3}}\left[k\Pi^{(1)}_{1}(t,k)-\frac{3g_{01}(t)}{2i}\right]dk\\\ &-\frac{2}{\pi i}\int_{\partial D_{3}}ke^{-8ik^{3}t}[(\alpha^{2}-\alpha)s_{131}(\alpha k)+(\alpha-\alpha^{2})s_{131}(\alpha^{2}k)]dk\end{array}$ (4.28a) $\begin{array}[]{rl}g_{21}=&-\frac{4}{\pi}\int_{\partial D_{3}}\left[k^{2}\Pi^{(1)}_{1}(t,k)-\frac{3kg_{01}(t)}{2i}\right]dk\\\ &+\frac{4}{\pi}\int_{\partial D_{3}}k^{2}e^{-8ik^{3}t}\left[(1-\alpha)s_{131}(\alpha k)+(1-\alpha^{2})s_{131}(\alpha^{2}k)\right]dk\end{array}$ (4.28b) Using equation (4.27a) to determine $\Pi^{(1)}_{1}$, we can determine $g_{11},g_{21}$ from (4.28), then $\Phi^{(1)}_{13}$ can be found from (4.26), And these arguments can be extended to higher orders and also can be extended to the systems (4.13a) and (4.14a), thus yields a constructive scheme for computing $S(k)$ to all orders. Similarly, these arguments also can be used to the first Neumann problem and the second Neumann problem. That is to say, in all cases, the system can be solved perturbatively to all orders. ## Appendix A The asymptotic behavior of the functions $\\{\mu_{j}(x,t,k)\\}_{1}^{3}$ We denote some symbols as follows: $\Lambda=\left(\begin{array}[]{ll}\mathbb{I}_{2\times 2}&0\\\ 0&-1\end{array}\right),$ (A.1a) $\begin{array}[]{l}V_{1}=\left(\begin{array}[]{ll}0&U^{T}\\\ -\bar{U}&0\end{array}\right),\\\ V_{2}^{(2)}=4\left(\begin{array}[]{ll}0&U^{T}\\\ -\bar{U}&0\end{array}\right),\\\ V_{2}^{(1)}=2i\left(\begin{array}[]{ll}U^{T}\bar{U}&U_{x}^{T}\\\ \bar{U}_{x}&-2|u|^{2}\end{array}\right),\\\ V_{2}^{(0)}=-4|u|^{2}\left(\begin{array}[]{ll}0&U^{T}\\\ -\bar{U}&0\end{array}\right)-\left(\begin{array}[]{ll}0&U_{xx}^{T}\\\ -\bar{U}_{xx}&0\end{array}\right)+(u\bar{u}_{x}-u_{x}\bar{u})\left(\begin{array}[]{ll}\sigma_{3}&0\\\ 0&0\end{array}\right).\end{array}$ (A.1b) where $\mathbb{I}_{2\times 2}=\left(\begin{array}[]{ll}1&0\\\ 0&1\end{array}\right)$ and $U=(u,\bar{u})$. From the Lax pair of $\mu$ $\left\\{\begin{array}[]{l}\mu_{x}+[ik\Lambda,\mu]=V_{1}\mu,\\\ \mu_{t}+[4ik^{3}\Lambda,\mu]=V_{2}\mu.\end{array}\right.$ (A.2) Suppose that $\mu(x,t,k)=D_{0}+\frac{D_{1}}{k}+\frac{D_{2}}{k^{2}}+\frac{D_{3}}{k^{3}}+\cdots.$ (A.3) We substitute the equation (A.3) into the Lax pair (A.2), and compare the order of $k$, we find that: $\begin{array}[]{ll}O(k):&[i\Lambda,D_{0}]=0,\\\ O(1):&D_{0x}+[i\Lambda,D_{1}]=V_{1}D_{0},\\\ O(k^{-1}):&D_{1x}+[i\Lambda,D_{2}]=V_{1}D_{1},\\\ O(k^{-2}):&D_{2x}+[i\Lambda,D_{3}]=V_{1}D_{2},\\\ \end{array}$ (A.4a) $\begin{array}[]{ll}O(k^{3}):&[4i\Lambda,D_{0}]=0,\\\ O(k^{2}):&[4i\Lambda,D_{1}]=V_{2}^{(2)}D_{0},\\\ O(k^{1}):&[4i\Lambda,D_{2}]=V_{2}^{(2)}D_{1}+V_{2}^{(1)}D_{0},\\\ O(1):&D_{0t}+[4i\Lambda,D_{3}]=V_{2}^{(2)}D_{2}+V_{2}^{(1)}D_{1}+V_{2}^{(0)}D_{0},\\\ O(k^{-1}):&D_{1t}+[4i\Lambda,D_{4}]=V_{2}^{(2)}D_{3}+V_{2}^{(1)}D_{4}+V_{2}^{(0)}D_{1},\\\ O(k^{-2}):&D_{2t}+[4i\Lambda,D_{5}]=V_{2}^{(2)}D_{4}+V_{2}^{(1)}D_{3}+V_{2}^{(0)}D_{2},\\\ \end{array}$ (A.4b) And we denote the $D_{l}$ by $D_{l}=\left(\begin{array}[]{ll}D_{2\times 2}^{(l)}&D_{j3}^{(l)}\\\ D_{3j}^{(l)}&D_{33}^{(l)}\end{array}\right),\quad j=1,2$. Then, from $O(k^{3})$,we have $D_{j3}^{(0)}=0,\quad D_{3j}^{(0)}=0.$ (A.5) $O(k^{2})$, we get $4i\left(\begin{array}[]{ll}0&2D_{j3}^{(1)}\\\ -2D_{3j}^{(1)}&0\end{array}\right)=4\left(\begin{array}[]{ll}0&U^{T}D_{33}^{(0)}\\\ -\bar{U}D_{2\times 2}^{(0)}&0\end{array}\right),$ (A.6a) this implies that $\left\\{\begin{array}[]{l}D_{j3}^{(1)}=-\frac{i}{2}U^{T}D_{33}^{(0)}\\\ D_{3j}^{(1)}=-\frac{i}{2}\bar{U}D_{2\times 2}^{(0)}.\end{array}\right.$ (A.6b) $O(k)$, we find $\begin{array}[]{l}4i\left(\begin{array}[]{ll}0&2D_{j3}^{(2)}\\\ -2D_{3j}^{(2)}&0\end{array}\right)=\\\ 4\left(\begin{array}[]{ll}U^{T}D_{3j}^{(1)}&U^{T}D_{33}^{(1)}\\\ -\bar{U}D_{2\times 2}^{(1)}&-\bar{U}D_{j3}^{(1)}\end{array}\right)+2i\left(\begin{array}[]{ll}U^{T}\bar{U}D_{2\times 2}^{(0)}&U_{x}^{T}D_{33}^{(0)}\\\ -\bar{U}_{x}D_{2\times 2}^{(0)}&-2|u|^{2}D_{33}^{(0)}\end{array}\right),\end{array}$ (A.7a) this implies that $\left\\{\begin{array}[]{l}D_{j3}^{(2)}=-\frac{i}{2}U^{T}D_{33}^{(1)}+\frac{1}{4}U_{x}^{T}D_{33}^{0}\\\ D_{3j}^{(2)}=-\frac{i}{2}\bar{U}D_{2\times 2}^{(1)}-\frac{1}{4}\bar{U}_{x}D_{2\times 2}^{(0)}.\end{array}\right.$ (A.7b) $O(1)$, we have $\begin{array}[]{l}\left(\begin{array}[]{ll}D_{2\times 2t}^{(0)}&0\\\ 0&D_{33t}^{(0)}\end{array}\right)+4i\left(\begin{array}[]{ll}0&2D_{j3}^{(3)}\\\ -2D_{3j}^{(3)}&0\end{array}\right)=\\\ 4\left(\begin{array}[]{ll}U^{T}D_{3j}^{(2)}&U^{T}D_{33}^{(2)}\\\ -\bar{U}D_{2\times 2}^{(2)}&-\bar{U}D_{j3}^{(2)}\end{array}\right)+2i\left(\begin{array}[]{ll}U^{T}\bar{U}D_{2\times 2}^{(1)}+U_{x}^{T}D_{3j}^{(1)}&U^{T}\bar{U}D_{j3}^{(1)}+U_{x}^{T}D_{33}^{(1)}\\\ -\bar{U}_{x}D_{2\times 2}^{(1)}-2|u|^{2}D_{3j}^{(1)}&\bar{U}_{x}D_{j3}^{(1)}-2|u|^{2}D_{33}^{(1)}\end{array}\right)\\\ -4|u|^{2}\left(\begin{array}[]{ll}0&U^{T}D_{33}^{(0)}\\\ -\bar{U}D_{2\times 2}^{(0)}&0\end{array}\right)-\left(\begin{array}[]{ll}0&U_{xx}^{T}D_{33}^{(0)}\\\ -\bar{U}_{xx}D_{2\times 2}^{(0)}&0\end{array}\right)\\\ +(u\bar{u}_{x}-u_{x}\bar{u})\left(\begin{array}[]{ll}\sigma_{3}D_{2\times 2}^{(0)}&0\\\ 0&0\end{array}\right).\end{array}$ (A.8a) this implies that $\begin{array}[]{l}D_{2\times 2t}^{(0)}=0\quad D_{33t}^{(0)}=0\\\ \left\\{\begin{array}[]{l}D_{j3}^{(3)}=-\frac{i}{2}U^{T}D_{33}^{(2)}+\frac{1}{4}U_{x}^{T}D_{33}^{(1)}+\frac{i}{4}|u|^{2}U^{T}D_{33}^{(0)}+\frac{i}{8}U_{xx}^{T}D_{33}^{(0)}\\\ D_{3j}^{(3)}=-\frac{i}{2}\bar{U}D_{2\times 2}^{(2)}-\frac{1}{4}\bar{U}_{x}D_{2\times 2}^{(1)}+\frac{i}{4}|u|^{2}\bar{U}D_{2\times 2}^{(0)}+\frac{i}{8}\bar{U}_{xx}D_{2\times 2}^{(0)}.\end{array}\right.\end{array}$ (A.8b) $O(k^{-1})$, we get $\begin{array}[]{l}\left(\begin{array}[]{ll}D_{2\times 2t}^{(1)}&D_{j3t}^{(1)}\\\ D_{3jt}^{(1)}&D_{33t}^{(1)}\end{array}\right)+4i\left(\begin{array}[]{ll}0&2D_{j3}^{(4)}\\\ -2D_{3j}^{(4)}&0\end{array}\right)=\\\ 4\left(\begin{array}[]{ll}U^{T}D_{3j}^{(3)}&U^{T}D_{33}^{(3)}\\\ -\bar{U}D_{2\times 2}^{(3)}&-\bar{U}D_{j3}^{(3)}\end{array}\right)+2i\left(\begin{array}[]{ll}U^{T}\bar{U}D_{2\times 2}^{(2)}+U_{x}^{T}D_{3j}^{(2)}&U^{T}\bar{U}D_{j3}^{(2)}+U_{x}^{T}D_{33}^{(2)}\\\ -\bar{U}_{x}D_{2\times 2}^{(2)}-2|u|^{2}D_{3j}^{(2)}&\bar{U}_{x}D_{j3}^{(2)}-2|u|^{2}D_{33}^{(2)}\end{array}\right)\\\ -4|u|^{2}\left(\begin{array}[]{ll}U^{T}D_{3j}^{(1)}&U^{T}D_{33}^{(1)}\\\ -\bar{U}D_{2\times 2}^{(1)}&-\bar{U}D_{j3}^{(1)}\end{array}\right)-\left(\begin{array}[]{ll}U_{xx}^{T}D_{3j}^{(1)}&U_{xx}^{T}D_{33}^{(1)}\\\ -\bar{U}_{xx}D_{2\times 2}^{(1)}&-\bar{U}_{xx}D_{j3}^{(1)}\end{array}\right)\\\ +(u\bar{u}_{x}-u_{x}\bar{u})\left(\begin{array}[]{ll}\sigma_{3}D_{2\times 2}^{(1)}&\sigma_{3}D_{j3}^{(1)}\\\ 0&0\end{array}\right).\end{array}$ (A.9a) this implies that $\begin{array}[]{l}\left\\{\begin{array}[]{l}D_{2\times 2t}^{(1)}=\frac{i}{2}\\{U^{T}\bar{U}_{xx}+U_{xx}\bar{U}-U_{x}^{T}\bar{U}_{x}+6|u|^{2}U^{T}\bar{U}\\}D_{2\times 2}^{(0)}\\\ D_{33t}^{(1)}=-i\\{u\bar{u}_{xx}+u_{xx}\bar{u}-u_{x}\bar{u}_{x}+6|u|^{4}\\}D_{33}^{(0)}.\end{array}\right.\\\ \left\\{\begin{array}[]{l}D_{j3}^{(4)}=\frac{1}{16}U_{t}^{T}D_{33}^{(0)}-\frac{i}{2}U^{T}D_{33}^{(3)}+\frac{1}{4}U_{x}^{T}D_{33}^{(2)}+\frac{i}{4}|u|^{2}U^{T}D_{33}^{(1)}+\frac{i}{8}U_{xx}^{T}D_{33}^{(1)}+\frac{1}{8}|u|^{2}U_{x}^{T}D_{33}^{(0)}\\\ D_{3j}^{(3)}=-\frac{1}{16}\bar{U}_{t}D_{2\times 2}^{(0)}-\frac{i}{2}\bar{U}D_{2\times 2}^{(3)}-\frac{1}{4}\bar{U}_{x}D_{2\times 2}^{(2)}+\frac{i}{4}|u|^{2}\bar{U}D_{2\times 2}^{(1)}+\frac{i}{8}\bar{U}_{xx}D_{2\times 2}^{(1)}-\frac{1}{8}|u|^{2}\bar{U}_{x}D_{2\times 2}^{(0)}.\end{array}\right.\end{array}$ (A.9b) $O(k^{-2})$, we get $\begin{array}[]{l}\left(\begin{array}[]{ll}D_{2\times 2t}^{(2)}&D_{j3t}^{(2)}\\\ D_{3jt}^{(2)}&D_{33t}^{(2)}\end{array}\right)+4i\left(\begin{array}[]{ll}0&2D_{j3}^{(5)}\\\ -2D_{3j}^{(5)}&0\end{array}\right)=\\\ 4\left(\begin{array}[]{ll}U^{T}D_{3j}^{(4)}&U^{T}D_{33}^{(4)}\\\ -\bar{U}D_{2\times 2}^{(4)}&-\bar{U}D_{j3}^{(4)}\end{array}\right)+2i\left(\begin{array}[]{ll}U^{T}\bar{U}D_{2\times 2}^{(3)}+U_{x}^{T}D_{3j}^{(3)}&U^{T}\bar{U}D_{j3}^{(3)}+U_{x}^{T}D_{33}^{(3)}\\\ -\bar{U}_{x}D_{2\times 2}^{(3)}-2|u|^{2}D_{3j}^{(3)}&\bar{U}_{x}D_{j3}^{(3)}-2|u|^{2}D_{33}^{(3)}\end{array}\right)\\\ -4|u|^{2}\left(\begin{array}[]{ll}U^{T}D_{3j}^{(2)}&U^{T}D_{33}^{(2)}\\\ -\bar{U}D_{2\times 2}^{(2)}&-\bar{U}D_{j3}^{(2)}\end{array}\right)-\left(\begin{array}[]{ll}U_{xx}^{T}D_{3j}^{(2)}&U_{xx}^{T}D_{33}^{(2)}\\\ -\bar{U}_{xx}D_{2\times 2}^{(2)}&-\bar{U}_{xx}D_{j3}^{(2)}\end{array}\right)\\\ +(u\bar{u}_{x}-u_{x}\bar{u})\left(\begin{array}[]{ll}\sigma_{3}D_{2\times 2}^{(2)}&\sigma_{3}D_{j3}^{(2)}\\\ 0&0\end{array}\right).\end{array}$ (A.10a) this implies that $\left\\{\begin{array}[]{l}\begin{array}[]{rl}D_{2\times 2t}^{(2)}=&\frac{i}{2}\\{U^{T}\bar{U}_{xx}+U_{xx}\bar{U}-U_{x}^{T}\bar{U}_{x}+6|u|^{2}U^{T}\bar{U}\\}D_{2\times 2}^{(1)}\\\ &+\\{-\frac{1}{4}U^{T}\bar{U}_{t}+\frac{1}{2}|u|^{2}(u\bar{u}_{x}-u_{x}\bar{u})\sigma_{3}+\frac{1}{4}(u_{xx}\bar{u}_{x}-u_{x}\bar{u}_{xx})\sigma_{3}\\}\end{array}\\\ D_{33t}^{(2)}=-i\\{u\bar{u}_{xx}+u_{xx}\bar{u}-u_{x}\bar{u}_{x}+6|u|^{4}\\}D_{33}^{(1)}-\frac{1}{4}(|u|^{2})_{t}D_{33}^{(0)}.\end{array}\right.$ (A.10b) Also, from the $x-$part of the Lax pair, we have the following equations $D_{2\times 2x}^{(0)}=0,\quad D_{33x}^{(0)}=0.$ (A.11a) $\left\\{\begin{array}[]{l}D_{2\times 2x}^{(1)}=-\frac{i}{2}U^{T}\bar{U}D_{2\times 2}^{(0)}\\\ D_{33x}^{(1)}=i|u|^{2}D_{33}^{(0)}.\end{array}\right.$ (A.11b) $\left\\{\begin{array}[]{l}D_{2\times 2x}^{(2)}=-\frac{i}{2}U^{T}\bar{U}D_{2\times 2}^{(1)}-\frac{1}{4}U^{T}\bar{U}_{x}D_{2\times 2}^{(0)}\\\ D_{33x}^{(2)}=i|u|^{2}D_{33}^{(1)}-\frac{1}{4}(|u|^{2})_{x}D_{33}^{(0)}.\end{array}\right.$ (A.11c) Then from the integral contours $\gamma_{j}$, we can get $D_{2\times 2}^{(0)}=\mathbb{I}_{2\times 2},\quad D_{33}^{(0)}=1.$ (A.12) ## Appendix B The asymptotic behavior of $c_{j}(t,k)$ Let $\mu_{2}(0,t,k)=\left(\begin{array}[]{ll}\Phi_{2\times 2}&\Phi_{j3}\\\ \Phi_{3j}&\Phi_{33}\end{array}\right).$ The global relation shows that $\Phi_{2\times 2}\frac{s_{j3}}{s_{33}}e^{-8ik^{3}t}+\Phi_{j3}=c_{j}.$ (B.1) And from equation $\mu_{t}+[4ik^{3}\Lambda,\mu]=V_{2}\mu.$ we get $\begin{array}[]{l}\left(\begin{array}[]{ll}\Phi_{2\times 2}&\Phi_{j3}\\\ \Phi_{3j}&\Phi_{33}\end{array}\right)_{t}+4ik^{3}\left(\begin{array}[]{ll}0&2\Phi_{j3}\\\ -2\Phi_{3j}&0\end{array}\right)=4k^{2}\left(\begin{array}[]{ll}U^{T}\Phi_{3j}&U^{T}\Phi_{33}\\\ -\bar{U}\Phi_{2\times 2}&-\bar{U}\Phi_{j3}\end{array}\right)\\\ +2ik\left(\begin{array}[]{ll}U^{T}\bar{U}\Phi_{2\times 2}+U_{x}^{T}\Phi_{3j}&U^{T}\bar{U}\Phi_{j3}+U_{x}^{T}\Phi_{33}\\\ \bar{U}_{x}\Phi_{2\times 2}-2|u|^{2}\Phi_{3j}&-\bar{U}_{x}\Phi_{j3}-2|u|^{2}\Phi_{33}\end{array}\right)-4|u|^{2}\left(\begin{array}[]{ll}U^{T}\Phi_{3j}&U^{T}\Phi_{33}\\\ -\bar{U}\Phi_{2\times 2}&-\bar{U}\Phi_{j3}\end{array}\right)\\\ -\left(\begin{array}[]{ll}U_{xx}^{T}\Phi_{3j}&U_{xx}^{T}\Phi_{33}\\\ -\bar{U}_{xx}\Phi_{2\times 2}&-\bar{U}_{xx}\Phi_{j3}\end{array}\right)+(u\bar{u}_{x}-u_{x}\bar{u})\left(\begin{array}[]{ll}\sigma_{3}\Phi_{2\times 2}&\sigma_{3}\Phi_{j3}\\\ 0&0\end{array}\right).\end{array}$ (B.2) From the second column of the equation (B.2) we get $\left\\{\begin{array}[]{l}\begin{array}[]{rl}\Phi_{j3t}+8ik^{3}\Phi_{j3}=&4k^{2}U^{T}\Phi_{33}+2ik(U^{T}\bar{U}\Phi_{j3}+U^{T}_{x}\Phi_{33})\\\ &-4|u|^{2}U^{T}\Phi_{33}-U_{xx}^{T}\Phi_{33}+(u\bar{u}_{x}-u_{x}\bar{u})\sigma_{3}\Phi_{j3}\end{array}\\\ \Phi_{33t}=-4k^{2}\bar{U}\Phi_{j3}+2ik(\bar{U}_{x}\Phi_{j3}-2|u|^{2}\Phi_{33})+4|u|^{2}\bar{U}\Phi_{j3}+\bar{U}_{xx}\Phi_{j3}.\end{array}\right.$ (B.3) Suppose $\left(\begin{array}[]{l}\Phi_{j3}\\\ \Phi_{33}\end{array}\right)=(\alpha_{0}(t)+\frac{\alpha_{1}(t)}{k}+\frac{\alpha_{2}(t)}{k^{2}}+\cdots)+(\beta_{0}(t)+\frac{\beta_{1}(t)}{k}+\frac{\beta_{2}(t)}{k^{2}}+\cdots)e^{-8ik^{3}t}$ (B.4) where the coefficients $\alpha_{l}(t)$ and $\beta_{l}(t)$, $l\geq 0$, are independent of $k$. To determine these coefficients,we substitute the above equation into equation (B.3) and use the initial conditions $\alpha_{0}(0)+\beta_{0}(0)=(0_{1\times 2},1)^{T},\quad\alpha_{1}(0)+\beta_{1}(0)=(0_{1\times 2},0)^{T}.$ Then we get $\begin{array}[]{rl}\left(\begin{array}[]{l}\Phi_{j3}\\\ \Phi_{33}\end{array}\right)=&\left(\begin{array}[]{l}0_{1\times 2}\\\ 1\end{array}\right)+\frac{1}{k}\left(\begin{array}[]{l}\Phi_{j3}^{(1)}\\\ \Phi_{33}^{(1)}\end{array}\right)+\frac{1}{k^{2}}\left(\begin{array}[]{l}\Phi_{j3}^{(2)}\\\ \Phi_{33}^{(2)}\end{array}\right)+\cdots\\\ &+\left[-\frac{1}{k}\left(\begin{array}[]{l}\Phi_{j3}^{(1)}(0)\\\ 0\end{array}\right)+\cdots\right]e^{-8ik^{3}t}\end{array}$ (B.5) From the first column of the equation (B.2) we get $\left\\{\begin{array}[]{l}\begin{array}[]{rl}\Phi_{2\times 2t}=&4k^{2}U^{T}\Phi_{3j}+2ik(U^{T}\bar{U}\Phi_{2\times 2}+U_{x}^{T}\Phi_{3j})\\\ &-4|u|^{2}U^{T}\Phi_{3j}-U_{xx}^{T}\Phi_{3j}+(u\bar{u}_{x}-u_{x}\bar{u})\sigma_{3}\Phi_{2\times 2}\end{array}\\\ \Phi_{3jt}-8ik^{3}\Phi_{3j}=-4k^{2}\bar{U}\Phi_{2\times 2}+2ik(\bar{U}_{x}\Phi_{2\times 2}-2|u|^{2}\Phi_{3j})+4|u|^{2}\bar{U}\Phi_{2\times 2}+\bar{U}_{xx}\Phi_{2\times 2}.\end{array}\right.$ (B.6) Suppose $\left(\begin{array}[]{l}\Phi_{2\times 2}\\\ \Phi_{3j}\end{array}\right)=(\xi_{0}(t)+\frac{\xi_{1}(t)}{k}+\frac{\xi_{2}(t)}{k^{2}}+\cdots)+(\nu_{0}(t)+\frac{\nu_{1}(t)}{k}+\frac{\nu_{2}(t)}{k^{2}}+\cdots)e^{8ik^{3}t}$ (B.7) where the coefficients $\xi_{l}(t)$ and $\nu_{l}(t)$, $l\geq 0$, are independent of $k$. To determine these coefficients,we substitute the above equation into equation (B.6) and use the initial conditions $\xi_{0}(0)+\nu_{0}(0)=(\mathbb{I}_{2\times 2},0_{2\times 1})^{T},$ Then we get $\begin{array}[]{rl}\left(\begin{array}[]{l}\Phi_{2\times 2}\\\ \Phi_{3j}\end{array}\right)=&\left(\begin{array}[]{l}\mathbb{I}_{2\times 2}\\\ 0_{2\times 1}\end{array}\right)+\frac{1}{k}\left(\begin{array}[]{l}\Phi_{2\times 2}^{(1)}\\\ \Phi_{3j}^{(1)}\end{array}\right)+\cdots\\\ &+\left[\frac{1}{k^{2}}\left(\begin{array}[]{l}0\\\ \nu_{2}^{(2)}\end{array}\right)+\cdots\right]e^{8ik^{3}t}\end{array}$ (B.8) So, from the equation (B.1) and the asymptotic of $s_{j3}(k)$ and $s_{33}(k)$, we get the asymptotic behavior of $c_{j}(t,k)$ as $k\rightarrow\infty$, $c_{j}(t,k)=\frac{\Phi_{j3}^{(1)}}{k}+\frac{\Phi_{j3}^{(2)}}{k^{2}}+\frac{\Phi_{j3}^{(3)}}{k^{3}}+\cdots.$ (B.9) ## References * [1] A. S. Fokas, A unified transform method for solving linear and certain nonlinear PDEs, Proc. R. Soc. Lond. A 453(1997), 1411-1443. * [2] A. S. Fokas, Integrable nonlinear evolution equations on the half-line, Commun. Math. Phys. 230(2002), 1-39. * [3] A.S. Fokas, A Unified Approach to Boundary Value Problems, in: CBMS-NSF Regional Conference Series in Applied Mathematics, SIAM, 2008. * [4] A. Boutet De Monvel, A.S. Fokas, D. Shepelsky, Integrable nonlinear evolution equations on a finite interval, Comm. Math. Phys. 263 (2006) 133 C172. * [5] A. Boutet de Monvel,A.S.Fokas,D.Shepelsky, The mKDV equation on the half-line, J. Inst. Math. Jussieu.3(2004), 139-164. * [6] A. S. Fokas, A. R. Its and L. Y. Sung, The nonlinear Schrödinger equation on the half-line, Nonlinearity. 18(2005), 1771-1822. * [7] S. Kamvissis, Semiclassical nonlinear Schr dinger on the half line, J. Math. Phys. 44 (2003) 5849 5868. * [8] J. Lenells, Boundary value problems for the stationary axisymmetric Einstein equations: a disk rotating around a black hole, Comm. Math. Phys. 304 (2011) 585-635. * [9] J. Lenells, A.S. Fokas, Boundary-value problems for the stationary axisymmetric Einstein equations: a rotating disc, Nonlinearity 24 (2011) 177-206. * [10] N. Sasa, J. Satsuma, New-type of soliton solutions for a higher-order nonlinear Schr dinger equation, J. Phys. Soc. Japan 60 (1991) 409 417. * [11] D.J. Kaup, On the inverse scattering problem for cubic eigenvalue problems of the class $\psi_{xxx}+6Q\psi_{x}+6R\psi=\lambda\psi$, Stud. Appl. Math. 62 (1980) 189-216. * [12] J. Lenells, Initial-boundary value problems for integrable evolution equations with $3\times 3$ Lax pairs, Physica D 241(2012) 857-875. * [13] J. Lenells, The Degasperis-Procesi equation on the half-line, Nonlinear Analysis 76(2013) 122-139. * [14] R. Beals and R. Coifman, Scattering and inverse scattering for first order systems, Comm. in Pure and Applied Math. 37(1984), 39–90. * [15] P. Deift and X. Zhou, A steepest descent method for oscillatory Riemann–Hilbert problems, Ann. of Math. (2) 137(1993), 295-368. * [16] P. D. Lax, Integrals of nonlinear equations of evolution and solitary waves, Comm. Pure. Appl. Math.21(1968), 467-490. * [17] A. S. Forkas and J. Lenells, The unified method: [email protected] problem on the half-line, J. Phys. A: Math. Theor. 45(2012) 195201; * [18] J. Lenells and A. S. Forkas, The unified method: ii@. NLS on the half-line t-periodic boundary conditions, J. Phys. A: Math. Theor. 45(2012) 195202; * [19] J. Lenells and A. S. Forkas, The unified method: iii@. Nonlinearizable problem on the interval, J. Phys. A: Math. Theor. 45(2012) 195203;
arxiv-papers
2013-04-16T06:43:56
2024-09-04T02:49:44.502505
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jian Xu, Engui Fan", "submitter": "Engui Fan", "url": "https://arxiv.org/abs/1304.4586" }
1304.4632
Lifting Automorphisms of Quotients by Central Subgroups Ben Kane, Andrew Shallue Department of Mathematics University of Wisconsin-Madison 480 Lincoln Dr Madison, WI 53706, USA [email protected] [email protected], [email protected] [email protected] ###### Abstract. Given a finitely presented group $G$, we wish to explore the conditions under which automorphisms of quotients $G/N$ can be lifted to automorphisms of $G$. We discover that in the case where $N$ is a central subgroup of $G$, the question of lifting can be reduced to solving a certain matrix equation. We then use the techniques developed to show that $Inn(G)$ is not characteristic in $Aut(G)$, where $G$ is a metacyclic group of order $p^{n}$, $p\neq 2$. ###### Key words and phrases: finitely presented group, automorphism group, lift ###### 2000 Mathematics Subject Classification: 20F28 ## 1\. Introduction Let $F$ be the free group on $n$ letters, and let $G$ be a quotient of that group. We will be working with a given presentation of $G$, namely $G:=\left<x_{1},x_{2},\dots x_{n}|r_{1}(\text{\boldmath{$x$}}),r_{2}(\text{\boldmath{$x$}}),\dots r_{m}(\text{\boldmath{$x$}})\right>,$ where $x$ represents the $n$-tuple $(x_{1},x_{2},\dots,x_{n})$. This vector notation continues throughout the paper. For later ease of exposition, we will think of the relations $r_{k}$ as noncommutative monomials on $n$ variables $(x_{1},\dots,x_{n})$ defined by $r_{k}(\text{\boldmath{$x$}})=\overset{s_{k}}{\underset{l=1}{\prod}}{x_{j_{k,l}}^{e_{k,l}}}$ with $e_{k,l}\in\\{\pm 1\\}$. It is a well known fact that if $N$ is a characteristic subgroup of $G$, then automorphisms of $G$ induce automorphisms of $G/N$ canonically by acting on the coset representatives. However, much less is known about the conditions under which a lift of an element of $Aut(G/N)$ exists. Study so far has focused on the case where $G$ is the free group $F$. Many techniques have been developed to show whether automorphisms of various quotients of $F$ are tame (i.e. for which lifts to $F$ exist). See for instance [1, 2, 5, 6]. We show in the case where $N$ is a central subgroup of an arbitrary group $G$ that automorphisms of $G/N$ are in one-to-one correspondence with solutions to a certain set of matrix equations that depend only on the relations. ## Acknowledgements The authors are grateful to N. Boston for giving motivation to the problem and for valuable conversation. ## 2\. Homomorphic Lifts First, assume that $G$ is a finitely presentable group, and $N$ is a cyclic, central subgroup of $G$, generated by an element $z$. We will later generalize to the case where $N$ is not cyclic. We wish to study when automorphisms of $G/N$ can be lifted to automorphisms of $G$. We first give a condition for when such automorphisms lift to homomorphisms of $G$, so in this section lift means homomorphic lift. We will also consider $G$ as the image of $F$ under the canonical quotient map $\pi:F\to F/R$, where $R$ is the normal closure of the set $\\{r_{1}(\text{\boldmath{$x$}})\dots r_{m}(\text{\boldmath{$x$}})\\}$. However, this will be for convenience only. In practice, working with the relations will suffice, as evidenced by the following lemma, the proof of which is immediate. ###### Lemma 1. Let $\theta\in Hom(F,H)$ be given. Then $\theta(r_{k}(\text{\boldmath{$x$}}))=1$ for all $k$ if and only if $\theta(R)=1$. The following definition will help to clarify our direction in this paper: ###### Definition 1. We say that an $n$-tuple $\text{\boldmath{$g$}}=(g_{1},g_{2},\dots,g_{n})\in G^{n}$ _extends_ to a homomorphism if the homomorphism $\theta:F\mapsto G$, defined by $\theta(x_{i})=g_{i}$, factors through $R$. In this case $\theta\circ\pi^{-1}$ is well defined and defines an element $\psi\in Hom(G,G)$. ###### Lemma 2. An $n$-tuple $\text{\boldmath{$g$}}\in G^{n}$ extends to a homomorphism if and only if $r_{k}(\text{\boldmath{$g$}})=1$ for every $k=1,\dots,m$. ###### Proof. Let $\text{\boldmath{$g$}}\in G^{n}$ be given. Consider $\theta$ defined as above. Note that $g$ extends to a homomorphism if and only if $\theta(R)=1$. By lemma 1, $\theta(R)=1$ if and only if $\theta(r_{k}(\text{\boldmath{$x$}}))=1$ for all $k$. So it remains to show that $\theta(r_{k}(\text{\boldmath{$x$}}))=1$ if and only if $r_{k}(\text{\boldmath{$g$}})=1$. However, since $\theta$ is a homomorphism, $\theta(r_{k}(\text{\boldmath{$x$}}))=r_{k}(\theta(\text{\boldmath{$x$}}))=r_{k}(\text{\boldmath{$g$}}).$ ∎ The following definition is vital, since homomorphic lifts are the focus of this paper. ###### Definition 2. A _lift_ of $\varphi\in End(G/N)$ is $\psi\in End(G)$ such that $\psi(g)N=\varphi(gN)\qquad\text{for every }g\in G.$ ###### Theorem 1. If $\varphi\in End(G/N)$, then there is a one-to-one correspondence between lifts of $\varphi$ to $End(G)$ and $n$-tuples $\text{\boldmath{$g$}}\in G^{n}$ such that $g_{i}N=\varphi(x_{i}N)$ and $r_{k}(\text{\boldmath{$g$}})=1$ for every $k\in 1,\dots,m$. ###### Proof. First suppose $\psi$ is a lift of $\varphi$. Then by definition $\varphi(x_{i}N)=\psi(x_{i})N$, so we set $g_{i}:=\psi(x_{i})$. Also, $1=\psi(1)=\psi(r_{k}(\text{\boldmath{$x$}}))=r_{k}(\psi(\text{\boldmath{$x$}}))=r_{k}(\text{\boldmath{$g$}})$ since $\psi$ is a homomorphism. Conversely, suppose we have an $n$-tuple $g$ such that $g_{i}N=\varphi(x_{i}N)$ and $r_{k}(\text{\boldmath{$g$}})=1$ for every $k=1\dots m$. Then by Lemma 2, $g$ extends to $\psi\in End(G)$, where $\psi(x_{i})=g_{i}$. Thus $\psi(x_{i})N=g_{i}N=\varphi(x_{i}N)$ and this is exactly the definition of $\psi$ being a lift of $\varphi$. ∎ We now give a nice characterization of the lifts of $\varphi$. For this we define a certain matrix and a vector. Define $m_{ij}$ to be the degree of $x_{j}$ in the commutative image of the word $r_{i}(\text{\boldmath{$x$}})$. Note that since $r_{i}(\text{\boldmath{$x$}})=\overset{s_{i}}{\underset{l=1}{\prod}}x_{j_{i,l}}^{e_{i,l}}$, $m_{ij}=\overset{}{\underset{\overset{}{\underset{j_{i,l}=j}{l\in 1..s_{i}}}}{\sum}}e_{i,l}.$ We consider the matrix $M:=\left(m_{ij}\right)$. To make the construction of $M$ clear, we give an example. ###### Example 1. For $r_{1}(\text{\boldmath{$x$}})=x_{1}^{2}\cdot x_{2}^{-1}\cdot x_{1}^{-5}\cdot x_{2}^{-1},\qquad r_{2}(\text{\boldmath{$x$}})=x_{1}\cdot x_{2}^{-3}\cdot x_{1}^{7},$ we have $M=\left(\begin{smallmatrix}-3&-2\\\ 8&-3\end{smallmatrix}\right)$ For $\varphi\in Aut(G/N)$, fix a set of coset representatives $\overline{x_{i}}\in\varphi(x_{i}N)$. Since $N=\varphi(r_{k}(\text{\boldmath{$x$}})N)=r_{k}(\varphi(\text{\boldmath{$x$}}N))=r_{k}(\overline{\text{\boldmath{$x$}}})N,$ it is clear that $r_{k}(\overline{\text{\boldmath{$x$}}})\in N$. Since $N$ is generated by $z$, we can choose $w_{i}$ such that $r_{i}(\overline{\text{\boldmath{$x$}}})=z^{-w_{i}}$. Note that $\text{\boldmath{$w$}}:=(w_{1},\dots,w_{m})$ is only defined up to the order of $N$. ###### Theorem 2. The lifts of $\varphi$ are in one-to-one correspondence with solutions $\text{\boldmath{$v$}}=(v_{1},\dots v_{n})$ to the matrix equation $M\text{\boldmath{$v$}}=\text{\boldmath{$w$}}\pmod{\\#N}$ where, if $N$ is infinite, we simply mean the matrix equation on the integers. ###### Proof. We know from above that lifts are in one-to-one correspondence with $\text{\boldmath{$g$}}\in G^{n}$ such that $r_{k}(\text{\boldmath{$g$}})=1$ and $g_{i}N=\varphi(x_{i}N)$. However, if $g_{i}N=\varphi(x_{i}N)=\overline{x_{i}}N$, then $g_{i}\in\overline{x_{i}}N$. But then $g_{i}=\overline{x_{i}}z^{v_{i}}$ for some $i$. So $g_{i}N=\varphi(x_{i}N)$ if and only if $g_{i}=\overline{x_{i}}z^{v_{i}}$ for some $v_{i}$. So lifts are in one-to-one correspondence with $\text{\boldmath{$g$}}\in G^{n}$ such that $r_{k}(\text{\boldmath{$g$}})=1$ and $g_{i}=\overline{x_{i}}z^{v_{i}}$. Since $z$ is central, $\begin{array}[]{lcl}r_{i}(\overline{x_{1}}z^{v_{1}},\dots,\overline{x_{n}}z^{v_{n}})&=&r_{i}(\overline{\text{\boldmath{$x$}}})r_{i}(z^{v_{1}},z^{v_{2}},\dots,z^{v_{n}})\\\ &=&z^{-w_{i}}z^{\overset{n}{\underset{j=1}{\sum}}m_{ij}v_{j}}\\\ &=&z^{-w_{i}+\overset{n}{\underset{j=1}{\sum}}m_{ij}v_{j}}\end{array}$ But this is equal to $1$ if and only if $-w_{i}+\overset{n}{\underset{j=1}{\sum}}m_{ij}v_{j}=0\pmod{\\#N}$. This corresponds exactly to a solution of the above matrix equation. ∎ Having shown the result for $N$ cyclic, it is easy to generalize to the case when $N$ is not cyclic. If $N$ is a central subgroup of $G$, generated by $z_{1},\dots,z_{t}$, then we have $r_{k}(\overline{\text{\boldmath{$x$}}})=z_{1}^{-w_{1,k}}z_{2}^{-w_{2,k}}\cdots z_{t}^{-w_{t,k}}$ ###### Corollary 1. The lifts of $\varphi$ are in one-to-one correspondence with solutions of the matrix equation $\left(\begin{smallmatrix}M&&\\\ &\ddots&\\\ &&M\\\ \end{smallmatrix}\right)\text{\boldmath{$v$}}=\left(\begin{smallmatrix}\text{\boldmath{$w$}}_{1}\\\ \vdots\\\ \text{\boldmath{$w$}}_{t}\end{smallmatrix}\right)\pmod{\\#N},$ where, if $N$ is infinite, we simply mean the matrix equation on the integers. ###### Proof. The proof follows from the proof of the previous theorem, noting that each generator of $N$ commutes. ∎ ## 3\. Automorphic Lifts In this section we investigate when such homomorphic lifts are automorphic. As before, we assume that $G$ is finitely presented and $N$ is a central subgroup of $G$. ###### Lemma 3. If $N$ is abelian, finitely generated, and $\psi\in End(N)$, then $\psi$ surjective implies $\psi$ injective. This lemma follows from the fundamental theorem of abelian groups and the fact that the rank of the image plus the rank of the kernel equals the rank of $N$. ###### Lemma 4. A lift $\psi\in End(G)$ of $\varphi\in Aut(G/N)$ is an automorphism if and only if $\psi(N)=N$. ###### Proof. Consider $K:=Ker(\psi)$ and $H:=Im(\psi)$. Since $\psi$ is a lift of $\varphi$, we have the identity $N=\psi(K)N=\varphi(KN).$ As $\varphi$ is injective, it follows that $KN=N$, and hence $K\subseteq N$. So $K=Ker(\psi|_{N})$. Therefore $\psi$ is injective on $G$ if and only if it is injective when resticted to $N$. Because $N$ is abelian and finitely generated by assumption, it will suffice to show $\psi|_{N}$ is surjective, even if $N$ is infinite. Moreover, since $\psi(G)N=\varphi(GN)=G$, it follows that $HN=G$. If $\psi(N)=N$, then $N\subseteq H$, so that $G=HN=H$. Conversely, $N$ is in the image of $\psi$, and since for $g\in G$, $\psi(g)N=\varphi(gN)$, and $\varphi(gN)=N$ if and only if $g\in N$, we know that the preimage of $N$ is $N$. So we have $\psi$ surjective if and only if $\psi(N)=N$. ∎ In the case where $\\#N$ is finite and squarefree, the following result will show that the previous work for finding homomorphic lifts will suffice for showing that there is an automorphic lift. The proof relies heavily on finite group theory, for which a good reference is [3]. ###### Theorem 3. The automorphism $\varphi$ lifts to $\psi\in End(G)$ if and only if $\varphi$ lifts to some $\psi^{\prime}\in Aut(G)$. ###### Proof. Let $\psi\in End(G)$ a lift of $\varphi$ be given. Let $K=Ker(\psi)$ and $H=Im(\psi)$. We will show that $G=K\times H$, from which the theorem follows directly, since $\psi|_{H}$ is an isomorphism and $(Id,\psi|_{H})$ will be a lift as desired, where $Id$ stands for the identity on $K$ From the proof of Lemma 4, $K\subseteq N$. Since $\\#N$ is squarefree and $N$ is abelian, it splits completely. In particular, by the first isomorphism theorem, $N=K\times H_{N}$, where $H_{N}=Im(\psi|_{N})$. We know from the above proof that $HN=G$. Then $G=H(K\times H_{N})=(HK)(HH_{N})=HKH=HK.$ Let $h\in H\cap K$ be given. Notice first that $Im(\psi)\cap N=Im(\psi|_{N})$ since the preimage of $N$ is contained in $N$. Since $h\in K\subseteq N$, we have $h\in H_{N}$. But $H_{N}\cap K=1$, so $h=1$. Hence $G=H\ltimes K$. Therefore, since $K$ is central, $G=H\times K$. ∎ We are now going to construct a set of matrix equations whose solutions correspond to automorphic lifts of $\varphi$. Let us first assume $N$ is cyclic and generated by $z$. The key idea is that matching exponents of $z$ reduces to solving linear equations. We first fix a noncommutative monomial $f(\text{\boldmath{$x$}}):=\overset{s}{\underset{l=1}{\prod}}x_{j_{l}}^{e_{l}}$ such that $f(\text{\boldmath{$x$}})=z$. Define $M_{m+1,j}:=\overset{}{\underset{\overset{}{\underset{j_{l}=j}{l\in 1..s}}}{\sum}}e_{l},$ which is the exponent of $x_{j}$ in the commutative image of $f(\text{\boldmath{$x$}})$. Since $\varphi(N)=N$, we can choose $w_{m+1}$ such that $z^{-w_{m+1}}=f(\overline{\text{\boldmath{$x$}}})$, where $\overline{x_{i}}$ is as above. For an automorphism, the image of $z$ must be a generator of $N$. We will define a matrix equation for each of the possible generators of $N$. For $N$ infinite, define $w_{m+1}^{(1)}:=w_{m+1}+1$ and $w_{m+1}^{(2)}:=w_{m+1}-1$ and set $M^{\prime}:=\left(\begin{array}[]{c}M\\\ M_{m+1}\end{array}\right).$ For $N$ finite, with $p$ the smallest prime dividing $\\#N$, define $w_{m+1}^{(k)}:=w_{m+1}+k\frac{\\#N}{p}$ for $k=1,\dots,p-1$ and set $M^{\prime}:=\left(\begin{array}[]{c}M\\\ \frac{\\#N}{p}M_{m+1}\end{array}\right).$ In either case, set $\text{\boldmath{$w$}}^{(k)}:=\left(\begin{array}[]{c}\text{\boldmath{$w$}}\\\ w_{m+1}^{(k)}\end{array}\right)$ for every $k$. ###### Theorem 4. Automorphic lifts of $\varphi\in Aut(G/N)$ are in one-to-one correspondence with solutions $\text{\boldmath{$v$}}=(v_{1},\dots,v_{n})$ to the matrix equations $M^{\prime}\text{\boldmath{$v$}}=\text{\boldmath{$w$}}^{(k)}\pmod{\\#N}$ for $k=1,2$ if $N$ is infinite, and $k=1,\dots,p-1$ for $N$ finite and $p$ the smallest prime dividing $\\#N$. ###### Proof. For a solution $v$ to the equation $M\text{\boldmath{$v$}}=\text{\boldmath{$w$}}$, we have a lift $\psi\in End(G)$ by Theorem 2. By Lemma 4, $\psi\in Aut(G)$ if and only if $\psi(z)$ generates $N$. But then $\displaystyle\psi(z)$ $\displaystyle=$ $\displaystyle f(\psi(\text{\boldmath{$x$}}))=f(\overline{x_{1}}z^{v_{1}},\dots,\overline{x_{n}}z^{v_{n}})$ $\displaystyle=$ $\displaystyle f(\overline{\text{\boldmath{$x$}}})f(z^{\text{\boldmath{$v$}}})=z^{-w_{m+1}+\overset{n}{\underset{j=1}{\sum}}m_{m+1,j}v_{j}}$ If $N$ is infinite we need $\psi(z)=z^{\pm 1}$ to generate $N$. This is equivalent to $-w_{m+1}+\overset{n}{\underset{j=1}{\sum}}m_{m+1,j}v_{j}=\pm 1$. These are exactly the matrix equations listed above. If $N$ is finite, then we need $o(\psi(z))=\\#N$, so we simply need $\psi(z)^{\frac{\\#N}{p}}\neq 1$. But this is equivalent to $-\frac{\\#N}{p}w_{m+1}+\frac{\\#N}{p}\overset{n}{\underset{j=1}{\sum}}m_{m+1,j}v_{j}\neq 0\pmod{\\#N}.$ But, if this sum is not 0, it must be $k\frac{\\#N}{p}$ for some $k=1,\dots,p-1$. These correspond to the above vectors. ∎ Similarly to above, we can generalize this to the case when $N$ is not cyclic. If $N$ is generated by $z_{1},\dots z_{t}$, then, following the above process, we can choose a presentation of each element $z_{i}$ and add another row to $M$ with this presentation, generating a matrix $M^{\prime\prime}$. Next, we choose for each $z_{i}$ an element of $z_{i}^{\prime}$ of $N$ which we would like to map $z_{i}$ to, such that the $z_{i}^{\prime}$ also generate $N$. Note that $z_{i}^{\prime}$ must have the same order as $z_{i}$, since we have a homomorphism. We write for each $k$ from 1 to the number of possible generator sets of $N$ $z_{i}^{\prime}=\overset{t}{\underset{j=1}{\prod}}z_{j}^{{w_{i,m+j}}^{(k)}}.$ ###### Corollary 2. Automorphic lifts of $\varphi\in Aut(G/N)$ are in one-to-one correspondence with solutions to the matrix equations $\left(\begin{smallmatrix}M^{\prime\prime}&&\\\ &\ddots&\\\ &&M^{\prime\prime}\\\ \end{smallmatrix}\right)\text{\boldmath{$v$}}=\left(\begin{smallmatrix}\text{\boldmath{$w$}}_{1}^{(k)}\\\ \vdots\\\ \text{\boldmath{$w$}}_{t}^{(k)}\end{smallmatrix}\right)\pmod{\\#N},$ ###### Remark. Note that if we have 2 elements of infinite order as generators of $N$, then there are infinitely many choices for our $\text{\boldmath{$w$}}^{(k)}$, but otherwise we have a finite number of choices as above. ## 4\. An Application of the Above Techniques In this section, we give an application of the techniques developed above. Given a metacyclic group of order $p^{n}$ ($p$ an odd prime) represented by $G:=\left<x,y|\ x^{p^{n-1}},y^{p},x^{y}=x^{1+p^{n-2}}\right>,$ we will show that $Inn(G)$ is not characteristic in $Aut(G)$. To do this, we need information about the structure of $A:=Aut(G)$. Schulte in [4] found the presentation for $A$ $A=\left<x_{1},x_{2},x_{3}\left|\begin{smallmatrix}x_{1}^{p},\ x_{2}^{p},\ x_{3}^{(p-1)p^{n-2}},\ x_{1}^{-a}\cdot x_{3}^{-1}\cdot x_{1}\cdot x_{3}\cdot x_{3}^{j(p-1)p^{n-3}},\\\ x_{2}^{-a^{-1}}\cdot x_{3}^{-1}\cdot x_{2}\cdot x_{3}\cdot x_{3}^{k(p-1)p^{n-3}},\ x_{1}^{-1}\cdot x_{2}^{-1}\cdot x_{1}\cdot x_{2}\cdot x_{3}^{-(p-1)p^{n-3}}\end{smallmatrix}\right.\right>,$ where $a$ is a generator for the multiplicative group $(\mathbb{Z}/p^{n-2}\mathbb{Z})^{\times}$, $a^{-1}$ is the multiplicative inverse $\pmod{p}$, and $j$ and $k$ are integers which can be determined explicitly. We shall henceforth refer to the center of $A$ as $Z:=Z(A)$. By the commutator relations above $\left<x_{3}^{p-1}\right>\subseteq Z$. Note that $A/\left<x_{3}^{p-1}\right>$ equals $(C_{p}\times C_{p})\rtimes C_{p-1}$. Since that group has trivial center, by the correspondence theorem, $\left<x_{3}^{p-1}\right>=Z$. For ease of exposition, we will denote $x_{3}^{p-1}$ by $z$. Another important fact is that $I:=Inn(G)=\left<x_{1},x_{3}^{(p-1)p^{n-3}}\right>$. This follows from [4] by showing that conjugation by $x$ and $y$ correspond to the elements $x_{1}$ and $x_{3}^{(p-1)p^{n-3}}$, respectively. From Section 1, we have a technique for determining when homomorphisms can be lifted from quotient groups. Since $Z$ is large, cyclic, central, and characteristic in $A$, $A/Z$ is a natural candidate for this process. We will show that all elements of $Aut(A/Z)$ lift to $Aut(A)$, and then show that some $\varphi\in Aut(A/Z)$ does not fix $IZ/Z$. We then conclude that some $\psi\in Aut(A)$ does not fix $IZ$ and so $IZ$ is not characteristic in $A$. Since $Z$ is characteristic, it follows that $I$ is not characteristic. ###### Theorem 5. The canonical mapping $\pi:Aut(A)\mapsto Aut(A/Z)$ is surjective. ###### Proof. Let $\varphi\in Aut(A/Z)$ be given and set $K:=\left<x_{1},x_{2}\right>$. Studying $K$ in some detail will simplify the ensuing calculations. Since $KZ$ is the unique Sylow $p$-subgroup of $A/Z$, it is characteristic, and hence $\varphi(KZ)=KZ$. Therefore, without loss of generality, we can choose representatives $(\overline{x_{1}},\overline{x_{2}},\overline{x_{3}})$ such that $\varphi(x_{i}Z)=\overline{x_{i}}Z$ and $\overline{x_{1}},\overline{x_{2}}\in K$. Since $A/K$ is cyclic and hence abelian, it follows that $A^{\prime}\subseteq K$. Notice that $K\cap Z=\left<[x_{1},x_{2}]\right>=\left<z^{p^{n-3}}\right>$ and $K^{p}=1$. Also, the exponent of $A$ is $(p-1)p^{n-2}$, so $A^{(p-1)p^{n-3}}$ contains only elements of order $p$, and hence is contained in $K$, since every element of order $p$ is in $K$. Since $Z$ is cyclic and central, Theorem 2 tells us that homomorphisms of $A$ that are lifts of $\varphi$ are in one-to-one correspondence with solutions to $\left(\begin{smallmatrix}p&0&0\\\ 0&p&0\\\ 0&0&(p-1)p^{n-2}\\\ 1-a&0&j(p-1)p^{n-3}\\\ 0&1-a^{-1}&k(p-1)p^{n-3}\\\ 0&0&-(p-1)p^{n-3}\end{smallmatrix}\right)\left(\begin{smallmatrix}\\\ \\\ \text{\boldmath{$v$}}\\\ \\\ \\\ \end{smallmatrix}\right)=\left(\begin{smallmatrix}\\\ \\\ \text{\boldmath{$w$}}\\\ \\\ \\\ \end{smallmatrix}\right)\pmod{\\#Z}.$ So $\varphi$ lifts to a homomorphism if and only if this matrix is not degenerate. We shall show that this matrix has $p^{n-3}$ solutions. Instead of calculating $w$, we only need to show that $w_{1},w_{2},w_{3}=0$, and $p^{n-3}\mid w_{4},w_{5},w_{6}$. Notice that the latter statement is equivalent to $z^{w_{i}}\in K$. For $i=1,2$, we note that $K^{p}=1$ and for $i=3$, we have $r_{3}(\overline{\text{\boldmath{$x$}}})=1$ because the exponent of $A$ is $(p-1)p^{n-2}$, so any choice for $\overline{x_{3}}$ will give $w_{3}=0$. For $i=4,5,6$, notice that since $\overline{x_{1}},\overline{x_{2}}\in K$, $r_{i}(\overline{\text{\boldmath{$x$}}})\in KA^{\prime}A^{(p-1)p^{n-3}}.$ From our comments above, we know that $A^{\prime},A^{(p-1)p^{n-3}}\subseteq K$. Hence $r_{i}(\overline{\text{\boldmath{$x$}}})\in K$, and we have $p^{n-3}\mid w_{i}$. Since the matrix is taken mod $\\#Z=p^{n-2}$, the third row of the matrix is all zeroes and $w_{3}=0$, so we can remove this redundancy. Rows 1 and 2 correspond to $pv_{1}=0$ and $pv_{2}=0$, respectively. This is equivalent to $p^{n-3}\mid v_{1},v_{2}$. Therefore, if $v$ is a solution, it must be the case that $p^{n-3}\mid v_{1},v_{2}$. Hence, we can remove the first three rows and write the matrix in the form: $p^{n-3}\left(\begin{smallmatrix}(1-a)&0&j(p-1)\\\ 0&(1-a^{-1})&k(p-1)\\\ 0&0&-(p-1)\end{smallmatrix}\right)\left(\begin{smallmatrix}\\\ \text{\boldmath{$v$}}\\\ \\\ \end{smallmatrix}\right)=p^{n-3}\left(\begin{smallmatrix}\\\ \frac{\text{\boldmath{$w$}}}{p^{n-3}}\\\ \\\ \end{smallmatrix}\right)\pmod{\\#Z}$ With $v_{1},v_{2}\in\mathbb{Z}/p\mathbb{Z}$, and $v_{3}\in\mathbb{Z}/p^{n-2}\mathbb{Z}$. Solutions to this matrix will correspond to solutions of $\left(\begin{smallmatrix}1-a&0&-j\\\ 0&1-a^{-1}&-k\\\ 0&0&1\end{smallmatrix}\right)\left(\begin{smallmatrix}\\\ \text{\boldmath{$v$}}\\\ \\\ \end{smallmatrix}\right)=\left(\begin{smallmatrix}\\\ \frac{\text{\boldmath{$w$}}}{p^{n-3}}\\\ \\\ \end{smallmatrix}\right)\pmod{p}$ The determinant of this matrix is $D:=(1-a)(1-a^{-1})$, but $a$ is a generator for the multiplicative group $\left(\mathbb{Z}/(p^{n-1}\mathbb{Z})\right)^{\times}$, so $a\neq 1\pmod{p}$ and $a^{-1}\neq 1\pmod{p}$. Thus, $D$ is invertible, so the matrix is solvable. Moreover, since $v_{3}\in\mathbb{Z}/p^{n-2}\mathbb{Z}$, and this solution only fixes $v_{3}\pmod{p}$, we have $p^{n-3}$ choices for $v_{3}$, and hence $\varphi$ lifts to $p^{n-3}$ homomorphisms of $A$. We would now like to show that each of these homomorphisms is moreover an automorphism. By Lemma 4, we know that $\psi$ is an automorphic lift exactly when $\psi(z)^{p^{n-3}}=[\psi(x_{1}),\psi(x_{2})]\neq 1$. ###### Lemma 5. We have the equality $Z(K)=Z\cap K.$ ###### Proof. Let $h=x_{1}^{a}x_{2}^{b}\left(z^{p^{n-3}}\right)^{c}\in Z(K)$ be given. Then, since $[x_{1},x_{2}]=z^{p^{n-3}}$, $hx_{1}=x_{1}h\left(z^{p^{n-3}}\right)^{-b}\text{ and }hx_{2}=x_{2}h\left(z^{p^{n-3}}\right)^{a}.$ Thus, $b=0=a$. ∎ We see that for $h\in K\backslash Z(K)$, $C_{K}(h)=\left<h\right>Z(K)$, since $p^{3}=\\#K>\\#C_{K}(h)\geq p^{2}.$ But $\psi(x_{1})\notin\left<\psi(x_{2})\right>Z(K)$, as $\varphi(x_{1}Z)\notin\left<\varphi(x_{2}Z)\right>$. Therefore, since $\psi(x_{1})$ and $\psi(x_{2})$ do not commute, $[\psi(x_{1}),\psi(x_{2})]\neq 1$. So the canonical mapping is surjective. ∎ We will now proceed to show that $IZ/Z$ is not characteristic in $A/Z$. Note that $A/Z=(IZ\times HZ)\rtimes\left<x_{3}\right>Z\cong\left(C_{p}\times C_{p}\right)\rtimes C_{p-1},$ with the action of $x_{3}$ on $IZ$ being $x\mapsto x^{a}$ and the action of $x_{3}$ on $HZ$ being $x\mapsto x^{a^{-1}}$. We would like to show that $(\overline{\text{\boldmath{$x$}}})=\left(x_{2}^{a^{-1}},x_{1}^{a},x_{3}^{-1}\right)$ extends to a homomorphism. The presentation for $A/Z$ is the same as the presentation for $A$, adding the relation that $z=x_{3}^{p-1}=1$. It is straightforward to calculate that $r_{k}(\overline{\text{\boldmath{$x$}}})=1$ for every $k$. Moreover, $\left<x_{2}^{a^{-1}},x_{1}^{a},x_{3}^{-1}\right>=A/Z$, so this homomorphism is an automorphism. This automorphism is the desired element of $Aut(A/Z)$. ## References * [1] S. Andreadakis, On the Automorphisms of Free Groups and Free Nilpotent Groups., Proc. London Math. Soc. (3) 15 (1965) 239-268. * [2] S. Bachmuth, Automorphisms of Free Metabelian Groups, Trans. Amer. Math. Soc. 118 (1965) 93-104. * [3] S. Lang, Algebra, Addison-Wesley, Reading, 1993. * [4] M. Schulte, Automorphisms of Metacyclic $p$-groups With Cyclic Maximal Subgroups, Rose-Hulman Undergraduate Mathematics Journal 2 (2001) (available at http://www.rose-hulman.edu/mathjournal/2001/vol2-n2/paper4/v2n2-4pd.pdf). * [5] V. Shpilrain, Non-Commutative determinants and automorphisms of groups, Comm. Algebra 25 (1997) 559-574. * [6] E. Turner, D. Voce, Tame Automorphisms of Finitely Generated Abelian Groups, Proc. Edinburgh Math. Soc. 41 (1998) 277-287.
arxiv-papers
2013-04-16T22:05:52
2024-09-04T02:49:44.514035
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Ben Kane, Andrew Shallue", "submitter": "Andrew Shallue", "url": "https://arxiv.org/abs/1304.4632" }
1304.4653
∎ 11institutetext: Yang Liu 22institutetext: Department of Mathematics, Zhejiang Normal University, Jinhua 321004, China Fax: +86-57982298897 22email: [email protected] 33institutetext: Zhihua Chen 44institutetext: Department of Mathematics, Tongji University, Shanghai 200092, China 55institutetext: Yifei Pan 66institutetext: Department of Mathematical Sciences, Indiana University-Purdue University Fort Wayne, Fort Wayne, Indiana 46805, USA # A variant of Hörmander’s $L^{2}$ theorem for Dirac operator in Clifford analysis Yang Liu Zhihua Chen Yifei Pan (Received: date / Accepted: date) ###### Abstract In this paper, we give the Hörmander’s $L^{2}$ theorem for Dirac operator over an open subset $\Omega\in\mathbb{R}^{n+1}$ with Clifford algebra. Some sufficient condition on the existence of the weak solutions for Dirac operator has been found in the sense of Clifford analysis. In particular, if $\Omega$ is bounded, then we prove that for any $f$ in $L^{2}$ space with value in Clifford algebra, there exists a weak solution of Dirac operator such that $\overline{D}u=f$ with $u$ in the $L^{2}$ space as well. The method is based on Hörmander’s $L^{2}$ existence theorem in complex analysis and the $L^{2}$ weighted space is utilised. ###### Keywords: Hörmander’s $L^{2}$ theoremClifford analysis weak solutionDirac operator ###### MSC: 32W50 15A66 ## 1 Introduction The development of function theories on Clifford algebras has proved a useful setting for generalizing many aspects of one variable complex function theory to higher dimensions. The study of these function theories is referred to as Clifford analysis Brackx et al (1982); Huang et al (2006); Gong et al (2009); Ryan (2000), which is closely related to a number of studies made in mathematical physics, and many applications in this area have been found in recent years. In Ryan (1995), Ryan considered solutions of the polynomial Dirac operator, which afforded an integral representation. Furthermore, the author gave a Pompeiu representation for $C^{1}$-functions in a Lipschitz bounded domain. In Ryan (1990), the author presented a classification of linear, conformally invariant, Clifford-algebra-valued differential operators over $\mathbb{C}^{n}$, which comprised the Dirac operator and its iterates. In Qian and Ryan (1996), Qian and Ryan used Vahlen matrices to study the conformal covariance of various types of Hardy spaces over hypersurfaces in $\mathbb{R}^{n}$. In De Ridder et al (2012), the discrete Fueter polynomials was introduced, which formed a basis of the space of discrete spherical monogenics. Moreover, the explicit construction for this discrete Fueter basis, in arbitrary dimension $m$ and for arbitrary homogeneity degree $k$ was presented as well. In Hörmander (1965), the famous Hörmander’s $L^{2}$ existence and approximation theorems was given for the $\bar{\partial}$ operator in pseudo- convex domains in $\mathbb{C}^{n}$. When $n=1$, the existence theorem of complex variable can be deduced. The aim of this paper is to establish a Hörmander’s $L^{2}$ theorem in $\mathbb{R}^{n+1}$ with Clifford analysis, and present sufficient condition on the existence of the weak solutions for Dirac operator in the sense of Clifford algebra. Let $\mathcal{A}$ be a real Clifford algebra over an (n+1)-dimensional real vector space $\mathbb{R}^{n+1}$ and the corresponding norm on $\mathcal{A}$ is given by $|\lambda|_{0}=\sqrt{(\lambda,\lambda)_{0}}$ (see subsection 2.1). Let $\Omega$ be an open subset of $\mathbb{R}^{n+1}$, $L^{2}(\Omega,\mathcal{A},\varphi)$ be a right Hilbert $\mathcal{A}$-module for a given function $\varphi\in C^{2}(\Omega,\mathbb{R})$ with the norm given by Definition 2.9. (see subsection 2.3). $\overline{D}$ denotes the Dirac differential operator and the dual operator $\overline{D}^{*}_{\varphi}$ of $\overline{D}$ is given by (4). For $x=(x_{0},x_{1},...,x_{n})\in\mathbb{R}^{n+1}$, $\Delta=\sum_{i=0}^{n}\frac{\partial^{2}}{\partial x_{i}^{2}}$. Then we can obtain our main results as follows. ###### Theorem 1.1 Given $f\in L^{2}(\Omega,\mathcal{A},\varphi)$, there exists $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\begin{split}\overline{D}u=f\end{split}$ (1) with $\begin{split}\|u\|^{2}=\int_{\Omega}|u|^{2}_{0}e^{-\varphi}dx\leq 2^{2n}c\end{split}$ (2) if $\begin{split}|(f,\alpha)_{\varphi}|^{2}_{0}\leq c\|\overline{D}^{*}_{\varphi}\alpha\|^{2}=c\int_{\Omega}|\overline{D}^{*}_{\varphi}\alpha|^{2}_{0}e^{-\varphi}dx,~{}\forall\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A}).\end{split}$ (3) Conversely, if there exists $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that (1) is satisfied with $\begin{split}\|u\|^{2}\leq c\end{split}$ Then we can get the inequality (3) for norm estimation. The factor $2^{2n}$ in (2) comes from the definition of the norm in Clifford analysis. If $n=1$, then the factor would disappear which gives a necessary and sufficient condition in the theorem. From the above theorem, we give the following sufficient condition on the existence of weak solutions for Dirac operator. ###### Theorem 1.2 Given $\varphi\in C^{2}(\Omega,\mathbb{R})$ and $n>1$; $\Delta\varphi\geq 0$, and $\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}=0,~{}i\neq j,~{}1\leq i,j\leq n$ and $\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\leq 0,~{}1\leq i\leq n$. Then for all $f\in L^{2}(\Omega,\mathcal{A},\varphi)$ with $\int_{\Omega}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx=c<\infty$, there exists a $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\overline{D}u=f$ with $\|u\|^{2}=\int_{\Omega}|u|^{2}_{0}e^{-\varphi}dx\leq 2^{2n}\int_{\Omega}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx.$ ###### Remark 1.3 Assuming $x=(x_{0},x_{1},...,x_{n})\in\mathbb{R}^{n+1}$, it is easy to see that $\varphi(x)=x_{0}^{2}$ satisfies the conditions in Theorem 1.2. Another simple example would be $\varphi(x)=(n+1)x_{0}^{2}-\sum_{i=1}^{n}x_{i}^{2}.$ It is obvious that $\Delta\varphi(x)=2$, $\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}=-2$, and $\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}=0,~{}i\neq j,~{}1\leq i,j\leq n$. ###### Corollary 1.4 Given $\varphi\in C^{2}(\Omega,\mathbb{R}),$ and $\varphi(x)=\varphi(x_{0})$ with $\varphi^{\prime\prime}(x_{0})\geq 0$. Then for all $f\in L^{2}(\Omega,\mathcal{A},\varphi)$ with $\int_{\Omega}\frac{|f|^{2}_{0}}{\varphi^{\prime\prime}}e^{-\varphi}dx=c<\infty$, there exists a $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\overline{D}u=f$ with $\|u\|^{2}=\int_{\Omega}|u|^{2}_{0}e^{-\varphi}dx\leq 2^{2n}\int_{\Omega}\frac{|f|^{2}_{0}}{\varphi^{\prime\prime}}e^{-\varphi}dx.$ It is noticed that there is nothing to do with the boundary conditions of $\Omega$ in the above results. This phenomenon is totally different with the famous Hörmander’s $L^{2}$ existence theorems of several complex variables in Hörmander (1965). Then we can also have the following theorem on global solutions. ###### Theorem 1.5 Given $\varphi\in C^{2}(\mathbb{R}^{n+1},\mathbb{R})$ with all derivative conditions in Theorem 1.1 satisfied. Then for all $f\in L^{2}(\mathbb{R}^{n+1},\mathcal{A},\varphi)$ with $\int_{\mathbb{R}^{n+1}}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx=c<\infty$, there exists a $u\in L^{2}(\mathbb{R}^{n+1},\mathcal{A},\varphi)$ satisfying $\overline{D}u=f$ with $\|u\|^{2}=\int_{\mathbb{R}^{n+1}}|u|^{2}_{0}e^{-\varphi}dx\leq 2^{2n}\int_{\mathbb{R}^{n+1}}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx.$ On the other hand, if the boundary of $\Omega$ is concerned, we consider a special kind of domain ${\Omega}_{0}=\\{x\in\mathbb{R}^{n+1}:a\leq x_{0}\leq b\\}$ for any $a,~{}b\in\mathbb{R}$ with $a<b$, then we can get the following theorem within $L^{2}$ space instead of $L^{2}$ weighted space. ###### Theorem 1.6 Let $f\in L^{2}({\Omega_{0}},\mathcal{A})$. Then there exists a $u\in L^{2}({\Omega_{0}},\mathcal{A})$ such that $\overline{D}u=f$ with $\int_{\Omega_{0}}|u|^{2}_{0}dx\leq 2^{2n}c(a,b)\int_{\Omega_{0}}{|f|^{2}_{0}}dx$ and $c(a,b)$ is a factor depending on $a,~{}b$. ###### Proof Let $\varphi(x)=x_{0}^{2}$. It can be obtained that $L^{2}({\Omega_{0}},\mathcal{A})=L^{2}({\Omega_{0}},\mathcal{A},\varphi)$ for the boundary of $x_{0}$. Then the theorem is proved with Theorem 1.2. ###### Remark 1.7 In particular, any bounded domain $\Omega$ in $\mathbb{R}^{n+1}$ can be regarded as one type of $\Omega_{0}$. Therefore, it comes from Theorem 1.6 that for any $f\in L^{2}(\Omega,\mathcal{A})$, we can find a weak solution of Dirac operator $\overline{D}u=f$ with $u\in L^{2}(\Omega,\mathcal{A})$. ## 2 Preliminaries To make the paper self-contained, some basic notations and results used in this paper are included. ### 2.1 The Clifford algebra $\mathcal{A}$ Let $\mathcal{A}$ be a real Clifford algebra over an (n+1)-dimensional real vector space $\mathbb{R}^{n+1}$ with orthogonal basis $e:=\\{e_{0},e_{1},...,e_{n}\\}$, where $e_{0}=1$ is a unit element in $\mathbb{R}^{n+1}$. Furthermore, $\left\\{\begin{aligned} e_{i}e_{j}+e_{j}e_{i}&=0,~{}i\neq j\\\ e_{i}^{2}&=-1,~{}i=1,...,n.\end{aligned}\right.$ Then $\mathcal{A}$ has its basis $\\{e_{A}=e_{h_{1}\cdots h_{r}}=e_{h_{1}}\cdots e_{h_{r}}:1\leq h_{1}<...<h_{r}\leq n,1\leq r\leq n\\}.$ If $i\in\\{h_{1},...,h_{r}\\}$, we denote $i\in A$ and if $i\not\in\\{h_{1},...,h_{r}\\}$, we denote $i\not\in A$. $A-{i}$ means $\\{h_{1},...,h_{r}\\}\setminus\\{i\\}$ and $A+{i}$ means $\\{h_{1},...,h_{r}\\}\cup\\{i\\}$. So the real Clifford algebra is composed of elements having the type $a=\sum\limits_{A}x_{A}e_{A}$, in which $x_{A}\in\mathbb{R}$ are real numbers. For $a\in\mathcal{A}$, we give the inversion in the Clifford algebra as follows: $a^{*}=\sum\limits_{A}x_{A}e_{A}^{*}$ where $e_{A}^{*}=(-1)^{|A|}e_{A}$ and $|A|=n(A)$ is the $r\in\mathbb{Z}^{+}$ as $e_{A}=e_{h_{1}\cdots h_{r}}$. When $A=\emptyset$, $e_{A}=e_{0}$, $|A|=0$. Next, we define the reversion in the Clifford algebra, which is given by $a^{\dagger}=\sum\limits_{A}x_{A}e_{A}^{\dagger}$ where $e_{A}^{\dagger}=(-1)^{(|A|-1)|A|/2}e_{A}.$ Now we present the involution which is a combination of the inversion and the reversion introduced above. $\bar{a}=\sum\limits_{A}x_{A}\bar{e}_{A}$ where $\bar{e}_{A}=e_{A}^{*{\dagger}}=(-1)^{(|A|+1)|A|/2}e_{A}.$ From the definition, one can easily deduce that $e_{A}\bar{e}_{A}=\bar{e}_{A}e_{A}=1.$ Furthermore, we have $\overline{\lambda\mu}=\bar{\mu}\bar{\lambda},~{}~{}\forall\lambda,\mu\in\mathcal{A}.$ Let $a=\sum\limits_{A}x_{A}e_{A}$ be a Clifford number. The coefficient $x_{A}$ of the $e_{A}$-component will also be denoted by $[a]_{A}$. In particular the coefficient $x_{0}$ of the $e_{0}$-component will be denoted by $[a]_{0}$, which is called the scalar part of the Clifford number $a$. An inner product on $\mathcal{A}$ is defined by putting for any $\lambda,\mu\in\mathcal{A}$, $(\lambda,\mu)_{0}:=2^{n}[\lambda\bar{\mu}]_{0}=2^{n}\sum\limits_{A}\lambda_{A}\mu_{A}$. The corresponding norm on $\mathcal{A}$ reads $|\lambda|_{0}=\sqrt{(\lambda,\lambda)_{0}}$. We define a real functional on $\mathcal{A}$ that $\tau_{e_{A}}:\mathcal{A}\rightarrow\mathbb{R}$ $\langle\tau_{e_{A}},\mu\rangle=2^{n}(-1)^{(|A|+1)|A|/2}\mu_{A}.$ In the special case where $A=\emptyset$ we have $\langle\tau_{e_{0}},\mu\rangle=2^{n}\mu_{0}.$ Let $\Omega$ be an open subset of $\mathbb{R}^{n+1}$. Then functions $f$ defined in $\Omega$ and with values in $\mathcal{A}$ are considered. They are of the form $f(x)=\sum_{A}f_{A}(x)e_{A}$ where $f_{A}(x)$ are functions with real value. Let $\overline{D}$ denotes the Dirac differential operator $\overline{D}=\sum_{i=0}^{n}e_{i}\partial_{x_{i}},$ its action on functions from the left and from the right being governed by the rules $\overline{D}f=\sum_{i,A}e_{i}e_{A}\partial_{x_{i}}f_{A}~{}\mbox{and}~{}f\overline{D}=\sum_{i,A}e_{A}e_{i}\partial_{x_{i}}f_{A}.$ $f$ is called left-monogenic if $\overline{D}f=0$ and it is called right- monogenic if $f\overline{D}=0$. The conjugate operator is given by $D=\sum_{i=0}^{n}\bar{e}_{i}\partial_{x_{i}}.$ It can be found that $\overline{D}D=D\overline{D}=\Delta$ where $\Delta$ denotes the classical Laplacian in $\mathbb{R}^{n+1}$. When $n=1$, one can think of $x_{0}$ as the real part and of $x_{1}$ as the imaginary part of the variable and to identify $e_{1}$ with $i$. the operator $\overline{D}$ then take the form $\overline{D}=\partial_{x_{0}}+i\partial_{x_{1}}$, which is similar with the operator $\bar{\partial}$ in complex analysis. ### 2.2 Modules over Clifford algebras This subsection is to give some general information concerning a class of topological modules over Clifford algebras. In the sequel definitions and properties will be stated for left $\mathcal{A}$-module and their duals, the passage to the case of right $\mathcal{A}$-module being straight-forward. ###### Definition 2.1 (unitary left $\mathcal{A}$-module) Let $X$ be a unitary left $\mathcal{A}$-module, i.e. $X$ is abelian group and a law $(\lambda,f)\rightarrow\lambda f:\mathcal{A}\times X\rightarrow X$ is defined such that $\forall\lambda,\mu\in\mathcal{A}$, and $f,~{}g\in X$ 1. (1) $(\lambda+\mu)f=\lambda f+\mu f$, 2. (2) $\lambda\mu f=\lambda(\mu f)$, 3. (3) $\lambda(f+g)=\lambda f+\lambda g$, 4. (4) $e_{0}f=f$. Moreover, when speaking of a submodule $E$ of the unitary left $\mathcal{A}$-module $X$, we mean that $E$ is a non empty subset of $X$ which becomes a unitary left $\mathcal{A}$-module too when restricting the module operations of $X$ to $E$. ###### Definition 2.2 (left $\mathcal{A}$-linear operator) If $X,Y$ are unitary left $\mathcal{A}$-modules, then $T:X\rightarrow Y$ is said to be a left $\mathcal{A}$-linear operator, if $\forall~{}f,~{}g\in X$ and $\lambda\in\mathcal{A}$ $T(\lambda f+g)=\lambda T(f)+T(g).$ The set of all $``T"$ is denoted by $L(X,Y)$. If $Y=\mathcal{A},~{}L(X,\mathcal{A})$ is called the algebraic dual of $X$ and denoted by $X^{*alg}$. Its elements are called left $\mathcal{A}$-linear functionals on $X$ and for any $T\in X^{*alg}$ and $f\in X$, we denote by $\langle T,f\rangle$ the value of $T$ at $f$. ###### Definition 2.3 (bounded functional) An element $T\in X^{*alg}$ is called bounded, if there exist a semi-norm $p$ on $X$ and $c>0$ such that for all $f\in X$ $|\langle T,f\rangle|_{0}\leq c\cdot p(f).$ ###### Theorem 2.4 (Hahn-Banach type theorem)Brackx et al (1982) Let $X$ be a unitary left $\mathcal{A}$-module with semi-norm $p$, $Y$ be a submodule of $X$, and $T$ be a left $\mathcal{A}$-linear functional on $Y$ such that for some $c>0,$ $|\langle T,g\rangle|_{0}\leq c\cdot p(g),~{}~{}\forall g\in Y$ Then there exists a left $\mathcal{A}$-linear functional $\widetilde{T}$ on $X$ such that 1. (1) $\widetilde{T}\mid_{Y}=T$, 2. (2) for some $c^{*}>0$, $|\langle\widetilde{T},f\rangle|_{0}\leq c^{*}\cdot p(f)$, $\forall f\in X$. ###### Definition 2.5 (inner product on a unitary right $\mathcal{A}$-module) Let $H$ be a unitary right $\mathcal{A}$-module, then a function $(~{},~{}):~{}H\times H\rightarrow\mathcal{A}$ is said to be a inner product on $H$ if for all $f,g,h\in H$ and $\lambda\in\mathcal{A}$, 1. (1) $(f,g+h)=(f,g)+(f,h)$, 2. (2) $(f,g\lambda)=(f,g)\lambda$, 3. (3) $(f,g)=\overline{(g,f)}$, 4. (4) $\langle\tau_{e_{0}},(f,f)\rangle\geq 0$ and $\langle\tau_{e_{0}},(f,f)\rangle=0~{}\mbox{if and only if}~{}f=0$, 5. (5) $\langle\tau_{e_{0}},(f\lambda,f\lambda)\rangle\leq|\lambda|^{2}_{0}\langle\tau_{e_{0}},(f,f)\rangle$. From the definition on inner product, putting for each $f\in H$ $\|f\|^{2}=\langle\tau_{e_{0}},(f,f)\rangle,$ then it can be obtained that for any $f,g\in H,$ $\begin{split}|\langle\tau_{e_{0}},~{}(f,g)\rangle|\leq\|f\|\|g\|,\|f+g\|\leq\|f\|+\|g\|.\end{split}$ Hence, $\|\cdot\|$ is a proper norm on $H$ turning it into a normed right $A$-module. Moreover, we have the following Cauchy-Schwarz inequality. ###### Proposition 2.6 Brackx et al (1982) For all $f,g\in H,$ $|(f,g)|_{0}\leq\|f\|\|g\|.$ ###### Definition 2.7 (right Hilbert $\mathcal{A}$-module) Let $H$ be a unitary right $\mathcal{A}$-module provided with an inner product $(~{},~{})$. Then is it called a right Hilbert $\mathcal{A}$-module if it is complete for the norm topology derived from the inner product. ###### Theorem 2.8 (Riesz representation theorem)Brackx et al (1982) Let $H$ be a right Hilbert $\mathcal{A}$-modules and $T\in H^{*alg}$. Then $T$ is bounded if and only if there exists a (unique) element $g\in H$ such that for all $f\in H$, $T(f):=\langle T,f\rangle=(g,f).$ ### 2.3 Hilbert space of square integrable functions Now we extend the standard Hilbert space of square integrable functions to Clifford algebra. First, we denote $L^{1}(\Omega,\mu)$ and $L^{2}(\Omega,\mu)$ be the sets of all integrable or square integrable functions defined on the domain $\Omega\in\mathbb{R}^{n+1}$ with respect to the measure $\mu$. Then $L^{1}(\Omega,\mathcal{A},\mu)$ and $L^{2}(\Omega,\mathcal{A},\mu)$ are defined as the sets of functions $f:\Omega\rightarrow\mathcal{A}$ which are integrable or square integrable with respect to $\mu$, i.e., if $f=\sum\limits_{A}f_{A}e_{A}$, then for each $A$, $f_{A}\in L^{1}(\Omega,\mu)$ and $f^{2}_{A}\in L^{1}(\Omega,\mu)$, respectively. Then one may easily check that $L^{1}(\Omega,\mathcal{A},\mu)$ and $L^{2}(\Omega,\mathcal{A},\mu)$ are unitary bi-$\mathcal{A}$-module, i.e., unitary left-$\mathcal{A}$-module and unitary right-$\mathcal{A}$-module. Furthermore, for any $f,g\in L^{2}(\Omega,\mathcal{A},\mu)$, $\bar{f}\in L^{2}(\Omega,\mathcal{A},\mu)$ while $\bar{f}g\in L^{1}(\Omega,\mathcal{A},\mu)$, where $\bar{f}(x)=\overline{f(x)}$ and $(\bar{f}g)(x)=\bar{f}(x)g(x),~{}x\in\Omega$. Consider as a right $\mathcal{A}$-module, define for $f,g\in L^{2}(\Omega,\mathcal{A},\mu)$ that $(f,g)=\int_{\Omega}\bar{f}(x)g(x)d\mu.$ Furthermore for any real linear functional $T$ on $\mathcal{A}$ $\langle T,(f,g)\rangle=\langle T,\int_{\Omega}\bar{f}(x)g(x)d\mu\rangle=\int_{\Omega}\langle T,\bar{f}(x)g(x)\rangle d\mu.$ Consequently, taking $T=\tau_{e_{0}}$ we find that $\begin{split}\langle\tau_{e_{0}},(f,f)\rangle&=\langle\tau_{e_{0}},\int_{\Omega}\bar{f}(x)f(x)d\mu\rangle=\int_{\Omega}\langle\tau_{e_{0}},\bar{f}(x)f(x)\rangle d\mu\\\ &=\int_{\Omega}|f(x)|^{2}_{0}d\mu.\end{split}$ Hence, for all $f\in L^{2}(\Omega,\mathcal{A},\mu)$, $\langle\tau_{e_{0}},(f,f)\rangle\geq 0$ and $\langle\tau_{e_{0}},(f,f)\rangle=0$ if and only if $f=0$ a.e. in $\Omega$. Then it is easy to see that under the inner product defined, all conditions for $L^{2}(\Omega,\mathcal{A},\mu)$ to be a unitary right inner product $\mathcal{A}$-module are satisfied. Since $L^{2}(\Omega,\mathcal{A},\mu)=\prod_{A}L^{2}(\Omega,\mu)$, we have that $L^{2}(\Omega,\mathcal{A},\mu)$ is complete; in other words $L^{2}(\Omega,\mathcal{A},\mu)$ is a right Hilbert $\mathcal{A}$-module, with the norm $\|f\|^{2}=\langle\tau_{e_{0}},(f,f)\rangle=\int_{\Omega}|f(x)|^{2}_{0}d\mu$ for $f\in L^{2}(\Omega,\mathcal{A},\mu)$. ###### Definition 2.9 (weighted $L^{2}$ space) Similar with $L^{2}(\Omega,\mathcal{A},\mu)$, we can define the weighted $L^{2}(H,\mathcal{A},\varphi)$ for a given function $\varphi\in C^{2}(\Omega,\mathbb{R})$. First, let $L^{2}(\Omega,\varphi)=\big{\\{}f|f:\Omega\rightarrow\mathbb{R},~{}\int_{\Omega}|f(x)|^{2}e^{-\varphi}~{}dx<+\infty\big{\\}}.$ Then we denote $L^{2}(H,\mathcal{A},\varphi)=\\{f|f:\Omega\rightarrow\mathcal{A},~{}f=\sum\limits_{A}f_{A}e_{A},~{}f_{A}\in L^{2}(\Omega,\varphi)\\}.$ Moreover, for all $f,g\in L^{2}(H,\mathcal{A},\varphi)$, we define $(f,g)_{\varphi}=\int_{\Omega}\bar{f}(x)g(x)e^{-\varphi}dx.$ Then it is also easy to see $L^{2}(\Omega,\mathcal{A},\varphi)$ is a right Hilbert $\mathcal{A}$-module, with the norm $\begin{split}\|f\|^{2}=\langle\tau_{e_{0}},(f,f)_{\varphi}\rangle=\int_{\Omega}|f(x)|^{2}_{0}e^{-\varphi}dx\end{split}$ for $f\in L^{2}(\Omega,\mathcal{A},\varphi)$. ### 2.4 Cauchy’s integral formula Let $M$ be an (n+1)-dimensional differentiable and oriented manifold contained in some open subset $\Sigma$ of $\mathbb{R}^{n+1}$. By means of the n-forms $d\hat{x}_{i}=dx_{0}\wedge\cdots\wedge dx_{i-1}\wedge dx_{x_{i+1}}\wedge\cdots\wedge dx_{n},~{}i=0,1,...,n,$ an $\mathcal{A}$-valued n-form is introduced by putting $d\sigma=\sum_{i=0}^{n}(-1)^{i}e_{i}d\hat{x}_{i},$ similarly, denote $d\bar{\sigma}=\sum_{i=0}^{n}(-1)^{i}\bar{e}_{i}d\hat{x}_{i}.$ Furthermore the volume-element $dx=dx_{0}\wedge\cdots\wedge dx_{n}$ is used. ###### Proposition 2.10 (Stokes-Green Theorem)Brackx et al (1982) If $f,g\in C^{1}(\Sigma,\mathcal{A})$ then for any (n+1)-chain $\Omega$ on $M\subset\Sigma$, $\int_{\partial\Omega}fd\sigma g=\int_{\Omega}(f\overline{D})gdx+\int_{\Omega}f(\overline{D}g)dx,$ $\int_{\partial\Omega}fd\bar{\sigma}g=\int_{\Omega}(fD)gdx+\int_{\Omega}f(Dg)dx.$ ###### Remark 2.11 Denote $C^{\infty}_{0}(\Omega,\mathbb{R})$ as the set of all smooth real- valued functions with compact support in $\Omega$ and $C^{\infty}_{0}(\Omega,\mathcal{A}):=\\{f|f:\Omega\rightarrow\mathcal{A},~{}f=\sum\limits_{A}f_{A}e_{A},~{}f_{A}\in C^{\infty}_{0}(\Omega,\mathbb{R})\\}.$ If $f$ or $g\in C^{\infty}_{0}(\Omega,\mathcal{A})$, then we have from the Stokes-Green theorem that $\int_{\Omega}(f\overline{D})gdx=-\int_{\Omega}f(\overline{D}g)dx,$ $\int_{\Omega}(fD)gdx=-\int_{\Omega}f(Dg)dx.$ ###### Lemma 2.12 If $u(x)\in C^{1}(\Omega,\mathcal{A})$, then $\overline{\overline{D}u}=\bar{u}D$. ###### Proof Let $u(x)=\sum_{A}e_{A}u_{A}$. Then $\begin{split}\overline{\overline{D}u}=\sum_{i,A}\overline{e_{i}e_{A}}\partial_{x_{i}}u_{A}=\sum_{i,A}\bar{e}_{A}\bar{e}_{i}\partial_{x_{i}}u_{A}=\bar{u}D.\end{split}$ ###### Lemma 2.13 Huang et al (2006) If $u(x)=\sum_{A}e_{A}u_{A}$, $v(x)=\sum_{i=0}^{n}e_{i}v_{i}$, then $\overline{D}(uv)=(\overline{D}u)v+u(\overline{D}v)+\sum\limits^{n}_{j=1}(e_{j}u-ue_{j})\partial_{x_{j}}v.$ ### 2.5 Weak solutions Let $L_{loc}^{1}(\Omega,\mathcal{A}):=\\{f|f:\Omega\rightarrow\mathcal{A},~{}f=\sum\limits_{A}f_{A}e_{A},~{}f_{A}\in L_{loc}^{1}(\Omega,\mathbb{R})\\}$. Then we define the weak solution in the sense of Clifford algebra as follows. ###### Definition 2.14 ($\overline{D}$ solution in weak sense) If $f\in L_{loc}^{1}(\Omega,\mathcal{A})$, $u:\Omega\rightarrow\mathcal{A}$ is a weak solution of $\overline{D}u=f~{}(\mbox{or}~{}{D}u=f)$ if for any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$, $\int_{\Omega}\alpha fdx=-\int_{\Omega}(\alpha\overline{D})udx~{}(\mbox{or}~{}\int_{\Omega}\alpha fdx=-\int_{\Omega}(\alpha{D})udx).$ It should be noticed that if $u$ is a weak solution of Dirac equation $\overline{D}u=0$, in addition, if $u$ is smooth in $\Omega$, then it is left- monogenic. Now it is natural to give the definition of $\Delta$ solution in the weak sense. ###### Definition 2.15 ($\Delta$ solution in weak sense) If $f\in L_{loc}^{1}(\Omega,\mathcal{A})$, $u:\Omega\rightarrow\mathcal{A}$ is a weak solution of $\Delta u=f$ if for any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$, $\int_{\Omega}\alpha fdx=\int_{\Omega}({\Delta}\alpha)udx.$ ###### Theorem 2.16 If $f\in L_{loc}^{1}(\Omega,\mathcal{A})$, and $\overline{D}f=0$ in weak sense, then $f$ is left-monogenic at any point of $\Omega$. ###### Proof : Since $\overline{D}f=0$ in weak sense, then $\Delta f=0$ in weak sense. By Weyl’s lemma, $f$ is smooth in $\Omega$ and has $\Delta f=0$ in classical sense, then of course $f$ is left-monogenic at any point of $\Omega$. ###### Remark 2.17 This is useful to deal with uniqueness of weak solutions. for example, if $u,~{}v\in L_{loc}^{1}(\Omega,\mathcal{A})$ are two weak solutions of $\overline{D}u=f$, then $u=v+w$ with any $w$ left-monogenic. ###### Remark 2.18 An important example of a left monogenic function is the generalized Cauchy kernel $G(x)=\frac{1}{\omega_{n+1}}\frac{\overline{x}}{|x|^{n+1}},$ where $\omega_{n+1}$ denotes the surface area of the unit ball in $\mathbb{R}^{n+1}$. This function obviously belongs to $L_{loc}^{1}(\Omega,\mathcal{A})$ and is a fundamental solution of the Dirac equation in the classical sense at any point of $\mathbb{R}^{n+1}$ except 0. However, it is not a weak solution of the Dirac operator. In fact, if it satisfies $\overline{D}f=0$ in the weak sense, then from Theorem 2.16, it must be left-monogenic in the any point of $\Omega$ which could include $0$. Therefore, we get a contradiction. For $f\in L^{2}(\Omega,\mathcal{A},\varphi)$, $u:\Omega\rightarrow\mathcal{A}$. If $\overline{D}u=f$, based on the Stokes- Green theorem, we can define the dual operator $\overline{D}^{*}_{\varphi}$ of $\overline{D}$ under the inner product of $L^{2}(\Omega,\mathcal{A},\varphi)$. For any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$, $\begin{split}(\alpha,f)_{\varphi}=&~{}\int_{\Omega}\bar{\alpha}fe^{-\varphi}dx=\int_{\Omega}\bar{\alpha}e^{-\varphi}fdx\\\ =&~{}\int_{\Omega}(\bar{\alpha}e^{-\varphi})(\overline{D}u)dx\\\ =&~{}-\int_{\Omega}\big{(}(\bar{\alpha}e^{-\varphi})\overline{D}\big{)}udx\\\ =&~{}-\int_{\Omega}\big{(}(\bar{\alpha}e^{-\varphi})\overline{D}\big{)}e^{\varphi}ue^{-\varphi}dx\\\ =&~{}\int_{\Omega}\overline{-e^{\varphi}D(\alpha e^{-\varphi})}ue^{-\varphi}dx\\\ =&~{}(-e^{-\varphi}D(\alpha e^{-\varphi}),u)_{\varphi}\triangleq(\overline{D}^{*}_{\varphi}\alpha,u)_{\varphi},\end{split}$ (4) where $\overline{D}^{*}_{\varphi}\alpha=-e^{\varphi}D(\alpha e^{-\varphi})=\alpha(D\varphi)-D\alpha$, i.e. $(\alpha,\overline{D}u)_{\varphi}=(\overline{D}^{*}_{\varphi}\alpha,u)_{\varphi}.$ In the same way, we also have $(\overline{D}u,\alpha)_{\varphi}=(u,\overline{D}^{*}_{\varphi}\alpha)_{\varphi}.$ ## 3 The proof of Theorem 1.1 Now we are in the position of proving Theorem 1.1. ###### Proof ($Sufficiency$) From the definition of dual operator and Cauchy-Schwarz inequality in Proposition 2.6, we have $\begin{split}|(f,\alpha)_{\varphi}|^{2}_{0}=&|(\overline{D}u,\alpha)_{\varphi}|^{2}_{0}=|(u,\overline{D}^{*}_{\varphi}\alpha)_{\varphi}|^{2}_{0}\\\ \leq&~{}\|u\|^{2}\cdot\|\overline{D}^{*}_{\varphi}\alpha\|^{2}\\\ \leq&~{}c\cdot\|\overline{D}^{*}_{\varphi}\alpha\|^{2}.\end{split}$ ($necessity$) We aim to prove the necessity with Riesz representation theorem. First, we denote the submodule $E=\\{\overline{D}^{*}_{\varphi}\alpha,~{}\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A}),~{}\varphi\in C^{2}(\Omega,\mathbb{R})\\}\subset L^{2}(\Omega,\mathcal{A},\varphi).$ Then we define a linear functional $L_{f}$ on $E$, i.e., $L_{f}\in E^{*alg}$ for a fixed $f\in L^{2}(\Omega,\mathcal{A},\varphi)$ as follows, $\langle L_{f},\overline{D}^{*}_{\varphi}\alpha\rangle=(f,\alpha)_{\varphi}=\int_{\Omega}\bar{f}\cdot\alpha\cdot e^{-\varphi}dx\in\mathcal{A}.$ From (3), we have $|\langle L_{f},\overline{D}^{*}_{\varphi}\alpha\rangle|_{0}=|(f,\alpha)_{\varphi}|_{0}\leq\sqrt{c}\cdot\|\overline{D}^{*}_{\varphi}\alpha\|,$ which meas that $L_{f}$ is a bounded functional from Definition 2.3. By the Hahn-Banach type theorem in Theorem 2.4, $L_{f}$ can be extended to a linear functional $\widetilde{L}_{f}$ on $L^{2}(\Omega,\mathcal{A},\varphi)$, and with $\begin{split}|\langle\widetilde{L}_{f},g\rangle|_{0}\leq\sqrt{c^{*}}\|g\|,~{}\forall g\in L^{2}(\Omega,\mathcal{A},\varphi),\end{split}$ (5) where $\sqrt{c^{*}}=\sqrt{c}\cdot|e_{0}|_{0}$, since $|e_{A}|_{0}=2^{n/2}$, then $c^{*}=2^{n}c$ from Brackx et al (1982). Now we are in the position to use the Riesz representation theorem for the operator $\widetilde{L}_{f}$. From Theorem 2.8, there exists a $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\begin{split}\langle\widetilde{L}_{f},g\rangle=(u,g)_{\varphi},~{}\forall g\in L^{2}(\Omega,\mathcal{A},\varphi).\end{split}$ (6) For $\forall\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$, let $g=\overline{D}^{*}_{\varphi}\alpha$. Then $\begin{split}(f,\alpha)_{\varphi}=&\langle\widetilde{L}_{f},\overline{D}^{*}_{\varphi}\alpha\rangle=(u,\overline{D}^{*}_{\varphi}\alpha)_{\varphi}=(\overline{D}u,\alpha)_{\varphi},\end{split}$ which deduces that $\int_{\Omega}\bar{f}\alpha e^{-\varphi}dx=\int_{\Omega}\overline{(\overline{D}u)}{\alpha}e^{-\varphi}dx.$ Conjugating both sides of above equation leads to $\int_{\Omega}\bar{\alpha}f\cdot e^{-\varphi}dx=\int_{\Omega}\bar{\alpha}(\overline{D})ue^{-\varphi}dx.$ Let $\alpha=\bar{\alpha}e^{\varphi}$, it can be obtained that $\int_{\Omega}\alpha fdx=\int_{\Omega}\alpha(\overline{D}u)dx,~{}\forall\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A}).$ Therefore, $\overline{D}u=f$ is proved from the definition of weak solutions. Next, we give the bound for the norm of $u$. Let $g=u=\sum_{A}e_{A}u_{A}\in L^{2}(\Omega,\mathcal{A},\varphi)$, from (5) and (6), we get that $\begin{split}|(u,u)_{\varphi}|_{0}\leq\sqrt{c^{*}}\|u\|.\end{split}$ (7) On the other hand, $\begin{split}|(u,u)_{\varphi}|_{0}^{2}=&\big{|}\int_{\Omega}\bar{u}ue^{-\varphi}dx\big{|}^{2}_{0}\\\ =&~{}2^{n}\cdot\big{[}\int_{\Omega}\bar{u}ue^{-\varphi}dx\cdot\overline{\int_{\Omega}\bar{u}ue^{-\varphi}dx}\big{]}_{0}\\\ =&~{}2^{n}\big{[}\int_{\Omega}(\sum\limits_{A}u^{2}_{A}+\sum\limits_{A\neq B}\bar{e}_{A}e_{B}u_{A}u_{B})e^{-\varphi}dx\cdot\overline{\int_{\Omega}(\sum\limits_{A}u^{2}_{A}+\sum\limits_{A\neq B}\bar{e}_{A}e_{B}u_{A}u_{B})e^{-\varphi}dx}\big{]}_{0}\\\ =&~{}2^{n}\big{[}(\int_{\Omega}\sum\limits_{A}u^{2}_{A}e^{-\varphi}dx)^{2}+(\int_{\Omega}\sum\limits_{A\neq B}u_{A}u_{B}e^{-\varphi}dx)^{2}\big{]},\end{split}$ and $\begin{split}\|u\|^{2}=&~{}\int_{\Omega}|u|^{2}_{0}e^{-\varphi}dx=2^{n}\int_{\Omega}[\bar{u}u]_{0}e^{-\varphi}dx=2^{n}\int_{\Omega}\sum\limits_{A}u^{2}_{A}\cdot e^{-\varphi}dx\end{split}$ So we have $\|u\|^{4}=2^{2n}\cdot(\int_{\Omega}\sum\limits_{A}u^{2}_{A}\cdot e^{-\varphi}dx)^{2}$. Hence, $|(u,u)_{\varphi}|_{0}^{2}=2^{n}[(\int_{\Omega}\sum\limits_{A}u^{2}_{A}\cdot e^{-\varphi}dx)^{2}+(\int_{\Omega}\sum\limits_{A\neq B}u_{A}u_{B}e^{-\varphi}dx)^{2}]\geq 2^{-n}\|u\|^{4}.$ Combining with (7), it is obtained that $\|u\|^{2}\leq 2^{n/2}|(u,u)_{\varphi}|_{0}\leq 2^{n/2}\sqrt{c^{*}}\|u\|,$ and $\|u\|^{2}\leq 2^{2n}{c}.$ The proof is completed. ## 4 The proof of Theorem 1.2 It should be noticed that inequality (3) in Theorem 1.1 is related with $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$. In the following, we will give another sufficient condition that has nothing to do with the space $C^{\infty}_{0}(\Omega,\mathcal{A})$. First, we need to compute the norm of $\|\overline{D}^{*}_{\varphi}\alpha\|$ for any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A}).$ $\begin{split}\|\overline{D}^{*}_{\varphi}\alpha\|^{2}=&\int_{\Omega}|\overline{D}^{*}_{\varphi}\alpha|^{2}_{0}e^{-\varphi}dx\\\ =&\int_{\Omega}\langle\tau_{e_{0}},\overline{\overline{D}^{*}_{\varphi}\alpha}\cdot\overline{D}^{*}_{\varphi}\alpha\rangle e^{-\varphi}dx\\\ =&\langle\tau_{e_{0}},\int_{\Omega}\overline{\overline{D}^{*}_{\varphi}\alpha}\cdot\overline{D}^{*}_{\varphi}\alpha e^{-\varphi}dx\rangle\\\ =&\langle\tau_{e_{0}},(\overline{D}^{*}_{\varphi}\alpha,\overline{D}^{*}_{\varphi}\alpha)_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}\overline{D}^{*}_{\varphi}\alpha)_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}(\alpha(D\varphi)-D\alpha))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}\alpha(D\varphi)+\alpha\Delta\varphi-\Delta\alpha+\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}^{*}_{\varphi}(\overline{D}\alpha)+\alpha\Delta\varphi+\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}^{*}_{\varphi}(\overline{D}\alpha))_{\varphi}+(\alpha,\alpha\Delta\varphi)_{\varphi}+(\alpha,\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}^{*}_{\varphi}(\overline{D}\alpha))_{\varphi}\rangle+\langle\tau_{e_{0}},(\alpha,\alpha\Delta\varphi)_{\varphi}\rangle+\langle\tau_{e_{0}},(\alpha,\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&I_{1}+I_{2}+I_{3},\end{split}$ where $\begin{split}I_{1}=&\langle\tau_{e_{0}},(\alpha,\overline{D}^{*}_{\varphi}(\overline{D}\alpha))_{\varphi}\rangle=\langle\tau_{e_{0}},(\overline{D}\alpha,\overline{D}\alpha)_{\varphi}\rangle=\|\overline{D}\alpha\|^{2},\\\ I_{2}=&\langle\tau_{e_{0}},(\alpha,\alpha\Delta\varphi)_{\varphi}\rangle=\int_{\Omega}|\alpha|^{2}_{0}\Delta\varphi e^{-\varphi}dx,\end{split}$ and $\begin{split}I_{3}=&\langle\tau_{e_{0}},(\alpha,\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(\sum_{i=0}^{n}\bar{e}_{i}\frac{\partial\varphi}{\partial x_{i}}))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\sum\limits^{n}_{j=1}\sum_{i=0}^{n}(e_{j}\alpha\bar{e}_{i}-\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}})_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},\int_{\Omega}\bar{\alpha}\sum\limits^{n}_{j=1}\sum_{i=0}^{n}(e_{j}\alpha\bar{e}_{i}-\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}e^{-\varphi}dx\rangle\\\ =&\int_{\Omega}\langle\tau_{e_{0}},\bar{\alpha}\sum\limits^{n}_{j=1}\sum_{i=0}^{n}(e_{j}\alpha\bar{e}_{i}-\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle e^{-\varphi}dx.\end{split}$ It should be noticed that if $n=1$, i.e., the space $\mathbb{R}^{2}$ is considered, then $I_{3}=0.$ Since for $1\leq i,j\leq n$ and $i\neq j$, $e_{j}\bar{e}_{i}=-e_{j}{e}_{i}=e_{i}{e}_{j}=-{e}_{i}\bar{e}_{j}$. For simplicity, let $\begin{split}I_{4}=&\langle\tau_{e_{0}},\bar{\alpha}\sum\limits^{n}_{j=1}\sum\limits_{i=0}^{n}(e_{j}\alpha\bar{e}_{i}-\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}\sum\limits_{i=1}^{n}(\bar{\alpha}e_{j}\alpha\bar{e}_{i}-\bar{\alpha}\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle+\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}e_{j}\alpha\bar{e}_{0}-\bar{\alpha}\alpha e_{j}\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}e_{i}\alpha\bar{e}_{i}-\bar{\alpha}\alpha e_{i}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle+\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}(\bar{\alpha}e_{j}\alpha\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ &+\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}e_{j}\alpha\bar{e}_{0}-\bar{\alpha}\alpha e_{j}\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}e_{i}\alpha\bar{e}_{i}-\bar{\alpha}\alpha)\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle+\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}(\bar{\alpha}e_{j}\alpha\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ &+\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}e_{j}\alpha\bar{e}_{0}-\bar{\alpha}\alpha e_{j}\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle\\\ =&I_{5}+I_{6}+I_{7}.\end{split}$ Assume $\alpha=\sum\limits_{A}\alpha_{A}e_{A}\in\mathcal{A},~{}\bar{\alpha}=\sum\limits_{A}\alpha_{A}\bar{e}_{A}$, then for any $1\leq i\leq n,$ $\begin{split}\bar{\alpha}e_{i}\alpha\bar{e}_{i}=&~{}\sum\limits_{A}\alpha_{A}\bar{e}_{A}e_{i}\cdot\sum\limits_{A}\alpha_{A}e_{A}\bar{e}_{i}\\\ =&~{}\sum\limits_{A}(-1)^{\frac{|A|(|A|+1)}{2}}\alpha_{A}e_{A}e_{i}\cdot\sum\limits_{A}(-1)\alpha_{A}e_{A}e_{i}\end{split}$ Therefore $\begin{split}I_{5}=&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}e_{i}\alpha\bar{e}_{i}-\bar{\alpha}\alpha)\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}e_{i}\alpha\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle-\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}\alpha)\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\sum\limits_{A}(-1)^{\frac{|A|(|A|+1)}{2}}\alpha_{A}e_{A}e_{i}\cdot\sum\limits_{A}(-1)\alpha_{A}e_{A}e_{i})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle-\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}\alpha)\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{A}(-1)^{\frac{|A|(|A|+1)}{2}+1}\alpha_{A}^{2}e_{A}e_{i}e_{A}e_{i})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}-\sum\limits_{i=1}^{n}|\alpha|^{2}_{0}\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A}(-1)^{\frac{|A|(|A|+1)}{2}+1}\alpha^{2}_{A}\cdot\overline{e_{A}e_{i}}\cdot e_{A}e_{i}\cdot(-1)^{\frac{(|A|+1)(|A|+2)}{2}}\\\ &+\sum\limits_{i\in A}(-1)^{\frac{|A|(|A|+1)}{2}+1}\cdot\alpha^{2}_{A}\cdot\overline{e_{A-{i}}}\cdot e_{A-{i}}\cdot(-1)^{\frac{(|A|-1)(|A|)}{2}})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}-\sum\limits_{i=1}^{n}|\alpha|^{2}_{0}\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A}(-1)^{\frac{|A|(|A|+1)}{2}+1+\frac{(|A|+1)(|A|+2)}{2}}\cdot\alpha^{2}_{A}\\\ &+\sum\limits_{i\in A}(-1)^{\frac{|A|(|A|+1)}{2}+1+\frac{(|A|-1)(|A|)}{2}}\cdot\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}-\sum\limits_{i=1}^{n}|\alpha|^{2}_{0}\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A}(-1)^{|A|^{2}}\cdot\alpha^{2}_{A}+\sum\limits_{i\in A}(-1)^{|A|^{2}+1}\cdot\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}-\sum\limits_{i=1}^{n}|\alpha|^{2}_{0}\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A,|A|^{2}~{}\mbox{is odd}}(-2)\alpha^{2}_{A}+\sum\limits_{i\in A,|A|^{2}~{}\mbox{is even}}(-2)\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&-2^{n+1}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A,|A|^{2}~{}\mbox{is odd}}\alpha^{2}_{A}+\sum\limits_{i\in A,|A|^{2}~{}\mbox{is even}}\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}.\end{split}$ (8) To consider $I_{7}$, we first study $\bar{\alpha}e_{j}\alpha$ for any $1\leq j\leq n$. Without loss of generality, let $e_{j}=e_{1},~{}\bar{\alpha}=\sum\limits_{A}\alpha_{A}\bar{e}_{A},~{}\alpha=\sum\limits_{A}\alpha_{A}e_{A}$. Then $\bar{\alpha}e_{1}\alpha=(\sum\limits_{A}\alpha_{A}\bar{e}_{A})e_{1}(\sum\limits_{A}\alpha_{A}e_{A})$. When $e_{A}=e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$, where $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n.$ $\begin{split}\alpha_{A}\bar{e}_{A}e_{1}=&\alpha_{1h_{2}\cdots h_{r}}(-1)^{\frac{r(r+1)}{2}}\cdot e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}\cdot e_{1}\\\ =&\alpha_{1h_{2}\cdots h_{r}}(-1)^{\frac{r(r+1)}{2}+r}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}\\\ \alpha_{A}e_{A}e_{1}=&\alpha_{1h_{2}\cdots h_{r}}e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot e_{1}=\alpha_{1h_{2}\cdots h_{r}}(-1)^{r}e_{h_{2}}\cdots e_{h_{r}}.\end{split}$ (9) When $e_{A}=e_{1}$, $\begin{split}\alpha_{A}\bar{e}_{A}e_{1}=&\alpha_{1}\\\ \alpha_{A}e_{A}e_{1}=&-\alpha_{1}.\end{split}$ (10) When $e_{A}=e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$, where $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n.$ $\begin{split}\alpha_{A}\bar{e}_{A}e_{1}=&\alpha_{h_{2}\cdots h_{r}}(-1)^{\frac{(r-1)(r)}{2}}\cdot e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}\cdot e_{1}\\\ =&\alpha_{h_{2}\cdots h_{r}}(-1)^{\frac{(r-1)(r)}{2}+r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}\\\ \alpha_{A}e_{A}e_{1}=&\alpha_{h_{2}\cdots h_{r}}e_{h_{2}}\cdots e_{h_{r}}\cdot e_{1}=\alpha_{h_{2}\cdots h_{r}}(-1)^{r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}.\end{split}$ (11) When $e_{A}=e_{0}$, $\begin{split}\alpha_{A}\bar{e}_{A}e_{1}=&\alpha_{0}e_{1}\\\ \alpha_{A}e_{A}e_{1}=&\alpha_{0}e_{1}.\end{split}$ (12) To compute $I_{7}$, one needs to know the coefficient for $e_{0}$ of $\bar{\alpha}e_{1}\alpha-\bar{\alpha}\alpha e_{1}$. It means that we should find out the corresponding terms of $e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ and $e_{h_{2}}\cdots e_{h_{r}}$ in $\bar{\alpha}e_{1}$ and $\alpha$, in $\bar{\alpha}$ and $\alpha e_{1}$. Case a1. For $\bar{\alpha}e_{1}\alpha$, from (11), the corresponding terms of $e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ with $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n$ in $\bar{\alpha}e_{1}=(\sum\limits_{A}\alpha_{A}\bar{e}_{A})e_{1}$ and $\alpha=\sum\limits_{A}\alpha_{A}e_{A}$ are $\alpha_{h_{2}\cdots h_{r}}(-1)^{\frac{(r-1)(r)}{2}+r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}$ and $\alpha_{1h_{2}\cdots h_{r}}e_{1}e_{h_{2}}\cdots e_{h_{r}}$, respectively. Multiplying these terms leads to $\begin{split}(-1)&{}^{\frac{(r-1)(r)}{2}+r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}\cdot\alpha_{h_{2}\cdots h_{r}}\\\ =&~{}(-1)^{\frac{(r-1)(r)}{2}+r-1}(-1)^{\frac{(r)(r+1)}{2}}\cdot\overline{e_{1}\cdots e_{h_{r}}}\cdot e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}\alpha_{h_{2}\cdots h_{r}}\\\ =&~{}(-1)^{\frac{(r)(r+1)}{2}+r-1+\frac{(r-1)(r)}{2}}\cdot\alpha_{1h_{2}\cdots h_{r}}\alpha_{h_{2}\cdots h_{r}}.\end{split}$ (13) On the other hand, for $\bar{\alpha}e_{1}\alpha$, from (9), the corresponding terms of $e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ with $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n$ in $\bar{\alpha}e_{1}$ and $\alpha$ are $\alpha_{1h_{2}\cdots h_{r}}(-1)^{\frac{r(r+1)}{2}+r}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ and $\alpha_{h_{2}\cdots h_{r}}e_{h_{2}}\cdots e_{h_{r}}$, respectively. Multiplying these terms leads to $\begin{split}(-1)&{}^{\frac{(r)(r+1)}{2}+r}e_{h_{2}\cdots h_{r}}\cdot e_{h_{2}\cdots h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}\cdot\alpha_{h_{2}\cdots h_{r}}\\\ =&~{}(-1)^{\frac{(r)(r+1)}{2}+r}(-1)^{\frac{(r-1)(r)}{2}}\cdot\overline{e_{h_{2}\cdots h_{r}}}\cdot e_{h_{2}\cdots h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}\alpha_{h_{2}\cdots h_{r}}\\\ =&~{}(-1)^{\frac{(r)(r+1)}{2}+r+\frac{(r-1)(r)}{2}}\cdot\alpha_{1h_{2}\cdots h_{r}}\alpha_{h_{2}\cdots h_{r}}.\end{split}$ (14) From (13) and (14), these two terms vanish. Case a2. For $\bar{\alpha}e_{1}\alpha$, from (12), the corresponding terms of $e_{1}$ in $\bar{\alpha}e_{1}$ and $\alpha$ are $\alpha_{0}e_{1}$ and $\alpha_{1}e_{1}$, respectively. Multiplying these terms leads to $\begin{split}\alpha_{0}e_{1}\alpha_{1}e_{1}=-\alpha_{0}\alpha_{1}.\end{split}$ (15) On the other hand, for $\bar{\alpha}e_{1}\alpha$, from (10), the corresponding terms of $e_{0}$ in $\bar{\alpha}e_{1}$ and $\alpha$ are $\alpha_{1}$ and $\alpha_{0}$, respectively. Multiplying these terms leads to $\alpha_{0}\alpha_{1}$. Combining with (15), these two terms also vanish. From Cases a1 and a2, one can obtain that the coefficient for $e_{0}$ of $\bar{\alpha}e_{1}\alpha$ equals zero, i.e., $\begin{split}\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}e_{j}\alpha\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle=0.\end{split}$ (16) Case b1. For $\bar{\alpha}\alpha e_{1}$, from (11), the corresponding terms of $e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ with $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n$ in ${\alpha}e_{1}=(\sum\limits_{A}\alpha_{A}{e}_{A})e_{1}$ and $\bar{\alpha}=\sum\limits_{A}\alpha_{A}\bar{e}_{A}$ are $\alpha_{h_{2}\cdots h_{r}}(-1)^{r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}$ and $\alpha_{1h_{2}\cdots h_{r}}\overline{e_{1}e_{h_{2}}\cdots e_{h_{r}}}$, respectively. Multiplying these terms leads to $\begin{split}(\alpha_{1h_{2}\cdots h_{r}}&\overline{e_{1}e_{h_{2}}\cdots e_{h_{r}}})\cdot(\alpha_{h_{2}\cdots h_{r}}e_{h_{2}}\cdots e_{h_{r}}\cdot e_{1})\\\ =&~{}(\alpha_{1h_{2}\cdots h_{r}}\overline{e_{1}e_{h_{2}}\cdots e_{h_{r}}})\cdot((-1)^{r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot\alpha_{h_{2}\cdots h_{r}})\\\ =&~{}(-1)^{r-1}\alpha_{1h_{2}\cdots h_{r}}\cdot\alpha_{h_{2}\cdots h_{r}}.\end{split}$ (17) On the other hand, for $\bar{\alpha}\alpha e_{1}$, from (9), the corresponding terms of $e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ with $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n$ in ${\alpha}e_{1}$ and $\bar{\alpha}$ are $\alpha_{1h_{2}\cdots h_{r}}(-1)^{r}e_{h_{2}}\cdots e_{h_{r}}$ and $\alpha_{h_{2}\cdots h_{r}}\overline{e_{h_{2}}\cdots e_{h_{r}}}$, respectively. Multiplying these terms leads to $\begin{split}(\alpha_{h_{2}\cdots h_{r}}&\overline{e_{h_{2}}\cdots e_{h_{r}}})\cdot(\alpha_{1h_{2}\cdots h_{r}}e_{1}\cdots e_{h_{r}}\cdot e_{1})\\\ =&~{}(\alpha_{h_{2}\cdots h_{r}}\overline{e_{h_{2}}\cdots e_{h_{r}}})\cdot((-1)^{r}e_{h_{2}}\cdots e_{h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}})\\\ =&~{}(-1)^{r}\alpha_{h_{2}\cdots h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}.\end{split}$ (18) From (17) and (18), these two terms vanish. Case b2. For $\bar{\alpha}\alpha e_{1}$, from (12), the corresponding terms of $e_{1}$ in ${\alpha}e_{1}$ and $\bar{\alpha}$ are $\alpha_{0}e_{1}$ and $\alpha_{1}\bar{e}_{1}$, respectively. Multiplying these terms leads to $\begin{split}\alpha_{0}e_{1}\alpha_{1}\bar{e}_{1}=\alpha_{0}\alpha_{1}.\end{split}$ (19) On the other hand, for $\bar{\alpha}\alpha e_{1}$, from (10), the corresponding terms of $e_{0}$ in ${\alpha}e_{1}$ and $\bar{\alpha}$ are $-\alpha_{1}$ and $\alpha_{0}$, respectively. Multiplying these terms leads to $-\alpha_{0}\alpha_{1}$. Combining with (19), these two terms also cancel. From Cases b1 and b2, one can obtain that the coefficient for $e_{0}$ of $\bar{\alpha}e_{1}\alpha$ equals zero, i.e., $\begin{split}\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}\alpha e_{j}\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle=0.\end{split}$ (20) Thus, $I_{7}=0$ from (16) and (20). To compute $I_{6}$, i.e., to get $[\bar{\alpha}e_{i}\alpha\bar{e}_{j}]_{0}$ for $i\neq j$, similar with the analysis of $I_{7}$, we should divide the vectors in $\bar{\alpha}e_{i}$ and $\alpha\bar{e}_{j}$ into four cases. Case c1. $i\in A,~{}j\not\in A$ for $e_{A}$ in $\bar{\alpha}$ and $i\not\in B,~{}j\in B$ for $e_{B}$ in ${\alpha}$ with $A-{i}=B-{j}$. For this case, firstly, we assume $e_{A}=e_{h_{1}\cdots h_{p(i)}\cdots h_{r}}$ and $h_{p(i)}=i$, $e_{B}=e_{h_{1}\cdots h_{p(j)}\cdots h_{r}}$ and $h_{p(j)}=j$. We have $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{i}\cdots e_{h_{r}}\cdot e_{i}\\\ =&\alpha_{A}(-1)^{\frac{r(r+1)}{2}+r-p(i)}e_{h_{1}}\cdots e_{i}^{2}\cdots e_{h_{r}},\\\ =&\alpha_{A}(-1)^{\frac{r(r+1)}{2}+r-p(i)+1}e_{A-{i}},\\\ \alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{B}e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot\bar{e}_{j}\\\ =&\alpha_{B}(-1)^{r-p(j)}e_{h_{1}}\cdots e_{j}\bar{e}_{j}\cdots e_{h_{r}},\\\ =&\alpha_{B}(-1)^{r-p(j)}e_{B-{j}}.\end{split}$ Then $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}\alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}+r-p(i)+1}e_{A-{i}}\alpha_{B}(-1)^{r-p(j)}e_{B-{j}}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{r(r+1)}{2}+r-p(i)+1+r-p(j)+\frac{r(r-1)}{2}}\overline{e_{A-{i}}}e_{B-{j}}\\\ =&\alpha_{A}\alpha_{B}(-1)^{r^{2}+1-p(i)-p(j)}.\end{split}$ (21) Case c2. $i\not\in A,~{}j\in A$ for $e_{A}$ in $\bar{\alpha}$ and $i\in B,~{}j\not\in B$ for $e_{B}$ in ${\alpha}$ with $A+{i}=B+{j}$. We assume $e_{A}=e_{h_{1}\cdots h_{p(j)}\cdots h_{r}}$ and $h_{p(j)}=j$, $e_{B}=e_{h_{1}\cdots h_{p(i)}\cdots h_{r}}$ and $h_{p(i)}=i$. We have $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i},\\\ \alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{B}e_{h_{1}}\cdots e_{i}\cdots e_{h_{r}}\cdot\bar{e}_{j}\\\ =&-\alpha_{B}e_{h_{1}}\cdots e_{i}\cdots e_{h_{r}}\cdot{e}_{j}\\\ =&\alpha_{B}e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}.\end{split}$ Then $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}\alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}\alpha_{B}e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{r(r+1)}{2}+\frac{(r+1)(r+2)}{2}}\overline{e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}}e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{r^{2}+1}.\end{split}$ Case c3. $i\in A,~{}j\in A$ for $e_{A}$ in $\bar{\alpha}$ and $i\not\in B,~{}j\not\in B$ for $e_{B}$ in ${\alpha}$ with $A-{i}=B+{j}$. For this case, we assume $e_{A}=e_{h_{1}\cdots h_{p(i)}\cdots h_{p(j)}\cdots h_{r+2}}$ with $h_{p(i)}=i,~{}h_{p(j)}=j$. Without loss of generality, we assume $i<j$. Furthermore, let $e_{B}=e_{h_{1}\cdots h_{r}}$. We have $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}=&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}}\cdot e_{h_{1}}\cdots e_{i}\cdots e_{j}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}+r+2-h(i)}\cdot e_{h_{1}}\cdots e_{j}\cdots e_{h_{r+2}}\cdot e^{2}_{i}\\\ =&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}+r+1-h(i)}\cdot e_{h_{1}}\cdots e_{j}\cdots e_{h_{r+2}}\\\ =&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}+r+1-h(i)+r+2-h(j)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{j},\\\ \alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{B}e_{h_{1}}\cdots e_{h_{r}}\cdot\bar{e}_{j}\\\ =&-\alpha_{B}e_{h_{1}}\cdots e_{h_{r}}\cdot{e}_{j}.\end{split}$ Then $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}\alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}+r+1-h(i)+r+2-h(j)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{j}(-1)\alpha_{B}e_{h_{1}}\cdots e_{h_{r}}\cdot{e}_{j}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{(r+2)(r+3)}{2}-h(i)-h(j)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{j}e_{h_{1}}\cdots e_{h_{r}}\cdot e_{j}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{(r+2)(r+3)}{2}-h(i)-h(j)+\frac{(r+1)(r+2)}{2}}\cdot\overline{e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{j}}e_{h_{1}}\cdots e_{h_{r}}\cdot e_{j}\\\ =&\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}.\end{split}$ Case c4. $i\not\in A,~{}j\not\in A$ for $e_{A}$ in $\bar{\alpha}$ and $i\in B,~{}j\in B$ for $e_{B}$ in ${\alpha}$ with $A+{i}=B-{j}$. For this case, we assume $e_{A}=e_{h_{1}\cdots h_{r}}$, $e_{B}=e_{h_{1}\cdots h_{p(i)}\cdots h_{p(j)}\cdots h_{r+2}}$ with $h_{p(i)}=i,~{}h_{p(j)}=j$ and $i<j$. We have $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{h_{r}}\cdot e_{i},\\\ \alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{B}e_{h_{1}}\cdots e_{i}\cdots e_{j}\cdots e_{h_{r+2}}\cdot\bar{e}_{j}\\\ =&\alpha_{B}(-1)^{r+2-h(j)}\cdot e_{h_{1}}\cdots e_{i}\cdots e_{h_{r+2}}\cdot e_{j}\bar{e}_{j}\\\ =&\alpha_{B}(-1)^{r+2-h(j)+r+2-h(i)-1}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{B}(-1)^{1-h(j)-h(i)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ \end{split}$ Then $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}\alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{h_{r}}\cdot e_{i}\alpha_{B}(-1)^{1-h(j)-h(i)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{r(r+1)}{2}+1-h(j)-h(i)}\cdot e_{h_{1}}\cdots e_{h_{r}}\cdot e_{i}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{r(r+1)}{2}+1-h(j)-h(i)+\frac{(r+1)(r+2)}{2}}\cdot\overline{e_{h_{1}}\cdots e_{h_{r}}\cdot e_{i}}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}.\end{split}$ Combining cases c1-c4, we have $\begin{split}I_{6}=&\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}(\bar{\alpha}e_{j}\alpha\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}\big{(}(\sum_{A}\bar{e_{A}}\alpha_{A})e_{j}(\sum_{B}{e_{B}}\alpha_{B})\bar{e}_{i}\big{)}\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}\big{(}(\sum_{A}\bar{e_{A}}\alpha_{A})e_{i}(\sum_{B}{e_{B}}\alpha_{B})\bar{e}_{j}\big{)}\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}\rangle\\\ =&\sum\limits^{n}_{j\neq i}\langle\tau_{e_{0}},(\sum_{A}\bar{e_{A}}\alpha_{A})e_{i}(\sum_{B}{e_{B}}\alpha_{B})\bar{e}_{j}\rangle\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}\\\ =&\sum\limits^{n}_{j\neq i}\langle\tau_{e_{0}},(\sum_{A}\bar{e_{A}}\alpha_{A})e_{i}(\sum_{B}{e_{B}}\alpha_{B})\bar{e}_{j}\rangle\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}\\\ =&2^{n}\sum\limits^{n}_{j\neq i}\Big{(}\sum_{i\in A,~{}j\not\in A;A-{i}=B-{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}+1-p(i)-p(j)}\\\ &+\sum_{i\not\in A,~{}j\in A;A+{i}=B+{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}+1}\\\ &+\sum_{i\in A,~{}j\in A;A-{i}=B+{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}\\\ &+\sum_{i\not\in A,~{}j\not\in A;A+{i}=B-{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}\Big{)}\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}.\end{split}$ In all, $\begin{split}I_{3}=&\int_{\Omega}I_{4}e^{-\varphi}dx\\\ =&\int_{\Omega}(I_{5}+I_{6}+I_{7})e^{-\varphi}dx\\\ =&-2^{n+1}\int_{\Omega}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A,|A|^{2}~{}\mbox{is odd}}\alpha^{2}_{A}+\sum\limits_{i\in A,|A|^{2}~{}\mbox{is even}}\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}e^{-\varphi}dx\\\ &+2^{n}\int_{\Omega}\sum\limits^{n}_{j\neq i}\Big{(}\sum_{i\in A,~{}j\not\in A;A-{i}=B-{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}+1-p(i)-p(j)}\\\ &+\sum_{i\not\in A,~{}j\in A;A+{i}=B+{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}+1}\\\ &+\sum_{i\in A,~{}j\in A;A-{i}=B+{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}\\\ &+\sum_{i\not\in A,~{}j\not\in A;A+{i}=B-{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}\Big{)}\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}e^{-\varphi}dx.\end{split}$ Then $\begin{split}\|\overline{D}^{*}_{\varphi}\alpha\|^{2}=\|\overline{D}\alpha\|^{2}+\int_{\Omega}|\alpha|^{2}_{0}\Delta\varphi e^{-\varphi}dx+I_{3}.\end{split}$ (22) If $\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}=0,~{}i\neq j,~{}1\leq i,j\leq n$ and $\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\leq 0,~{}1\leq i\leq n$, we have $I_{3}\geq 0$, and $\|\overline{D}^{*}_{\varphi}\alpha\|^{2}\geq\int_{\Omega}|\alpha|^{2}_{0}\Delta\varphi e^{-\varphi}dx.$ With the above analysis, we can prove Theorem 1.2 easily. ###### Proof It is sufficient to prove the theorem if condition (3) in Theorem 1.1 is presented. By Cauchy-Schwarz inequality in Proposition 2.6, we have for any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$ that $\begin{split}|({f},\alpha)_{\varphi}|^{2}_{0}=&\big{|}\int_{\Omega}\bar{f}\cdot\alpha e^{-\varphi}dx\big{|}^{2}_{0}\\\ =&~{}\big{|}\int_{\Omega}\bar{f}\cdot\frac{1}{\sqrt{\Delta\varphi}}\cdot\alpha\cdot\sqrt{\Delta\varphi}\cdot e^{-\varphi}dx\big{|}^{2}_{0}\\\ \leq&~{}\big{\|}\bar{f}\frac{1}{\sqrt{\Delta\varphi}}\big{\|}^{2}\cdot\big{\|}\alpha\cdot\sqrt{\Delta\varphi}\big{\|}^{2}\\\ =&~{}\int_{\Omega}\big{|}\frac{\bar{f}}{\sqrt{\Delta\varphi}}\big{|}^{2}_{0}e^{-\varphi}dx\cdot\int_{\Omega}\big{|}\alpha\cdot\sqrt{\Delta\varphi}\big{|}^{2}_{0}e^{-\varphi}dx\\\ \leq&c\|\overline{D}^{*}_{\varphi}\alpha\|^{2}.\end{split}$ The proof is completed with Theorem 1.1. It should be noticed that when $n=1$, $I_{3}=0$. Then it comes from equation (22) that the Hörmander’s $L^{2}$ theorem in $\mathbb{R}^{2}$ could be described which equals the classical Hörmander’s $L^{2}$ theorem in $\mathbb{C}$. ###### Corollary 4.1 Given $\varphi\in C^{2}(\Omega,\mathbb{R})$ with $\Omega$ being an open subset of $\mathbb{R}^{2}$; $\Delta\varphi\geq 0$. Then for all $f\in L^{2}(\Omega,\mathcal{A},\varphi)$ with $\int_{\Omega}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx=c<\infty$, there exists a $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\overline{D}u=f$ with $\|u\|^{2}\leq\int_{\Omega}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx.$ ## 5 Conclusion In this paper, based on the Hörmander’s $L^{2}$ theorem in complex analysis, the Hörmander’s $L^{2}$ theorem for Dirac operator in $\mathbb{R}^{n+1}$ has been obtained by Clifford algebra. When $n=1$, the result is equivalent to the classical Hörmander’s $L^{2}$ theorem in complex variable. Moreover, for any $f$ in $L^{2}$ space over a bounded domain with value in Clifford algebra, there is a weak solution of Dirac operator with the solution in the $L^{2}$ space as well. The potential applications of the results will be studied in our future work. ###### Acknowledgements. This work was supported by the National Natural Science Foundations of China (No. 11171255, 11101373) and Doctoral Program Foundation of the Ministry of Education of China (No. 20090072110053). ## References * Brackx et al (1982) Brackx F, Delanghe R, Sommen F (1982) Clifford Analysis, Research Notes in Mathematics. London, Pitman * De Ridder et al (2012) De Ridder H, De Schepper H, Sommen F (2012) Fueter polynomials in discrete Clifford analysis. Mathematische Zeitschrift 272 (2012) :253–268. * Gong et al (2009) Gong Y, Leong IT, Qian T (2009) Two integral operators in Clifford analysis. Journal of Mathematical Analysis and Applications 354(2):435–444 * Hörmander (1965) Hörmander L (1965) $l^{2}$ estimates and existence theorems for the operator. Acta Mathematica 113(1):89–152 * Huang et al (2006) Huang S, Qiao YY, Wen GC (2006) Real and Complex Clifford Analysis, Advances in Complex Analysis and Its Applications. New York, Springer * Qian and Ryan (1996) Qian T, Ryan J (1996) Conformal transformations and Hardy spaces arising in Clifford analysis. Journal of Operator Theory 35(2):349–372 * Ryan (1990) Ryan J (1990) Iterated Dirac operators in $c^{n}$. Zeitschrift für Analysis und ihre Anwendungen 9:385–401 * Ryan (1995) Ryan J (1995) Cauchy-Green type formulae in Clifford analysis. Transactions of the American Mathematical Society 347(4):1331–1342 * Ryan (2000) Ryan J (2000) Basic Clifford analysis. Cubo Matemática Educacional 2:226–256
arxiv-papers
2013-04-17T00:39:58
2024-09-04T02:49:44.520096
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Yang Liu, Zhihua Chen and Yifei Pan", "submitter": "Yang Liu", "url": "https://arxiv.org/abs/1304.4653" }
1304.4681
# Long-time asymptotic for the derivative nonlinear Schrödinger equation with step-like initial value Jian Xu School of Mathematical Sciences Fudan University Shanghai 200433 People’s Republic of China [email protected] , Engui Fan School of Mathematical Sciences, Institute of Mathematics and Key Laboratory of Mathematics for Nonlinear Science Fudan University Shanghai 200433 People’s Republic of China correspondence author: [email protected] and Yong Chen Shanghai Key Laboratory of Trustworthy Computing East China Normal University, Shanghai 200062, People s Republic of China. [email protected] ###### Abstract. We consider the Cauchy problem for the Gerdjikov-Ivanov(GI) type of the derivative nonlinear Schrödinger (DNLS) equation: $iq_{t}+q_{xx}-iq^{2}\bar{q}_{x}+\frac{1}{2}|q|^{4}{q}=0.$ with steplike initial data: $q(x,0)=0$ for $x\leq 0$ and $q(x,0)=Ae^{-2iBx}$ for $x>0$,where $A>0$ and $B\in{\mathbb{R}}$ are constants.The paper aims at studying the long-time asymptotics of the solution to this problem.We show that there are four regions in the half-plane $-\infty<x<\infty,t>0$,where the asymptotics has qualitatively different forms:a slowly decaying self-similar wave of Zakharov-Manakov type for $x>-4tB$, a plane wave region:$x<-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})$, an elliptic region:$-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})<x<-4tB$. The main tool is the asymptotic analysis of an associated matrix Riemann-Hilbert problem. ###### Key words and phrases: Riemann-Hilbert problem, GI-DNLS equation, Long-time asymptotic, steplike initial value problem ## 1\. Introduction The classical, mathematical model for non-linear pulse propagation in the picosecond time scale in the anomalous dispersion regime in an isotropic, homogeneous, lossless, non-amplifying, polarization-preserving single-mode optical fibre is the non-linear Schrödinger(NLS) equation [2]. However, in the subpicosecond-femtosecond time scale, experiments and theories on the propagation of high-power ultrashort pulses in long monomode optical fibres have shown that the NLS equation is no longer valid and that additional non- linear terms (dispersive and dissipative) and higher-order linear dispersion should be taken into account, you can see [36] and the references therein. In this case, subpicosecond-femtosecond pulse propagation is described (in dimensionless and normalized form) by the following non-linear evolution equation (NLEE) $iu_{\xi}+\frac{1}{2}u_{\tau\tau}+|u|^{2}u+is(|u|^{2}u)_{\tau}=-i\tilde{\Gamma}u+i\tilde{\delta}u_{\tau\tau\tau}+\frac{\tau_{n}}{\tau_{0}}u(|u|^{2})_{\tau},$ (1.1) where $u$ is the slowly varying amplitude of the complex field envelope, $\xi$ is the propagation distance along the fibre length, $\tau$ is the time measured in a frame of reference moving with the pulse at the group velocity (the retarded frame), $s(>0)$ governs the effects due to the intensity dependence of the group velocity (self-steepening), $\tilde{\Gamma}$ is the intrinsic fibre loss, $\tilde{\delta}$ governs the effects of the third-order linear dispersion, and $\frac{\tau_{n}}{\tau_{0}}$, where $\tau_{0}$ is the normalized input pulsewidth and $\tau_{n}$ is related to the slope of the Raman gain curve (assumed to vary linearly in the vicinity of the mean carrier frequency, $\omega_{0}$), governs the soliton self-frequency shift (SSFS) effect, [36] and the references therein. We set the right-hand side of (1.1) equal to zero, we obtain the following equation, $iu_{\xi}+\frac{1}{2}u_{\tau\tau}+|u|^{2}u+is(|u|^{2}u)_{\tau}=0,$ (1.2) This equation is related to the Kaup-Newell type of derivative nonlinear Schrödinger equation, $iq_{t}(x,t)=-q_{xx}(x,t)+(\bar{q}q^{2})_{x}$ (1.3) by change of variables $u(\xi,\tau)=q(x,t)e^{i(\frac{t}{4s^{4}}-\frac{x}{2s^{2}})},\quad\xi=\frac{t}{2s^{2}},\quad\tau=-\frac{x}{2s}+\frac{t}{2s^{3}}.$ And we note that if we replace $x$ by $-x$,equation (1.3) changes into $iq_{t}(x,t)=-q_{xx}(x,t)-(\bar{q}q^{2})_{x}.$ (1.4) But, we also know if we formulate a Riemann-Hilbert problem for the solution of the inverse spectral problem of the equation (1.4), we find we cannot find solutions of its spectral problem which approach the $2\times 2$ identity matrix $\mathbb{I}$ as $k\rightarrow\infty$.It is well-known that there are three kinds of celebrated DNLS equations, including Kaup-Newell equation ( i.e Eq.(1.4)), Chen-Lee-Liu equation [37] $iq_{t}+q_{xx}+i|q|^{2}q_{x}=0,$ and Gerdjikov-Ivanov(GI) equation [38, 40] $iq_{t}+q_{xx}-iq^{2}\bar{q}_{x}+\frac{1}{2}|q|^{4}{q}=0$ (1.5) It has been found that they may be transformed into each other by gauge transformations [38, 39]. And in [40], the GI-type has the required property of the solutions of its spectral problem which approach the $2\times 2$ identity matrix $\mathbb{I}$ as $k\rightarrow\infty$. So,we focus on the GI- type of derivative nonlinear Schrödinger equation. In the following of this paper we also name the GI-type DNLS equation as DNLS equation. Initial value problems for nonlinear evolution equations with step-like initial data have attracted much attention since the early 1970s [16, 17, 18, 19], but only a few rigorous results concerning the long-time behavior of solutions of such problems were available.In 1980s-1990s, a considerable progress was achieved following the development of the theory of Whitham deformations [20] and the analysis of matrix Riemann-Hilbert problem representations of solutions of initial value problems, see [21, 22, 23] and references therein.Most complete results,obtained by using this approach,were related to integrable equations,for which linear operators from the associated Lax pair were self-adjoint and thus their spectrum was real.In [22],Bikbaev considered the case of the focusing nonlinear Schrödinger equation,which required the development of a much more complicated complex form of the theory of Whitham deformations. A completely rigorous approach for studying asymptotics of solutions of integrable nonlinear equations was introduced by Deift and Zhou [9](this approach was inspired by earlier works of Manakov [24] and Its [25];see [10] for a detailed historical review) and further extended by Deift,Venakides,and Zhou [26, 27]. This approach is based on the development of the nonlinear steepest descent method for Riemann-Hilbert problems associated with integrable nonlinear equations. Being originally introduced for studying initial value problems with decaying initial data, this approach was recently adapted by Buckingham and Venakides [28] to problems with shock-type oscillating initial data for focusing nonlinear Schrödinger equation. A central role in this development is played by the so-called $g-$function mechanism allowing to deform the original Riemann-Hilbert problem to a form that can be asymptotically treated with the help of associated singular integral equations. The Riemann-Hilbert problem approach to initial value problems with nondecaying step-like initial data shares many issues with the adaptation of this approach for studying initial-boundary value problems with non-decaying boundary data [29, 30, 31].However,there is an important difference: in the latter case,the construction of the associated Riemann-Hilbert problem normally requires the knowledge of spectral functions associated with overspecified initial and boundary data,which leads to the fact that results(in particular,the asymptotic results,see [29]) have,in a certain sense,a conditional character.As for the initial value problems of the type considered in this paper,the Riemann-Hilbert construction requires only initial data,and thus,the issue of overdetermination does not arise. In this paper,we consider a pure step-like initial value problem for the DNLS equation: $iq_{t}+q_{xx}-iq^{2}\bar{q}_{x}+\frac{1}{2}|q|^{4}{q}=0,\qquad x\in{\mathbb{R}},t>0,$ (1.6a) $q(x,0)=q_{0}(x)=\left\\{\begin{array}[]{lr}0&\mbox{if }x\geq 0,\\\ Ae^{-2iBx}&\mbox{if }x<0,\end{array}\right.$ (1.6b) where $A>0$ and $B\in{\mathbb{R}}$ are some constants. Kitaev and Vartanian got the leading order long-time asymptotic for the KN-type of DNLS equation with the decaying initial value,in [34], and the higher order long-time asymptotic in [36]. Since the DNLS equation (1.6a) has a plane wave solution $q^{p}(x,t)=Ae^{-2iBx+2i\omega t},$ (1.7) with $\omega:=A^{2}B-2B^{2}+\frac{A^{4}}{4},$ (1.8) which is consistent with (1.6b) for $x<0$,that is,$q^{p}(x,0)=q_{0}(x)$,we assume that the solution $q(x,t)$ of the initial value problem (1.6a) evaluated at any $t>0$ has the following behavior as $x\rightarrow\pm\infty$: $q(x,t)=o(1),\qquad x\rightarrow+\infty,$ (1.9) $q(x,t)=q^{p}(x,t)+o(1),\qquad x\rightarrow-\infty,$ (1.10) where $o(1)$ means sufficiently fast decay to $0$.This assumption can be justified a posteriori,by evaluating the large-$x$ behavior of the solution of the Riemann-Hilbert problem formulated in Section 3. Recently, in [32],A.Boutet de Monvel,V.P.Kotlyarov, and D.Shepelsky considered the long-time dynamics of the initial value problem for the focusing nonlinear Schrödinger equation with step-like data.The strategy of the Riemann-Hilbert problem deformations that we adopt in this paper is similar,though not identical,to that in [28].In particular,the realization of the $g-$function mechanism is different as well as the resulting asymptotic picture. As we have already mentioned, the main tool available now for studying rigorously the long-time asymptoitcs of solutions of initial and initial boundary value problems for integrable nonlinear equations is the asymptotic analysis of associated Riemann-Hilbert problems,whose construction involves dedicated solutions of the system of two linear equations,the Lax pair associated with the integrable nonlinear equation. For the DNLS equation (1.6a), a Lax pair is as follows [34]: $\begin{split}&\Psi_{x}(x,t;k)=M(x,t;k)\Psi(x,t;k),\\\ &\Psi_{t}(x,t;k)=N(x,t;k)\Psi(x,t;k),\end{split}$ (1.11) where $\begin{split}&M(x,t;k)=-ik^{2}\sigma_{3}+kQ+\frac{i}{2}|q|^{2}\sigma_{3},\\\ &N(x,t;k)=-2ik^{4}\sigma_{3}+2k^{3}Q+ik^{2}|q|^{2}\sigma_{3}-ikQ_{x}\sigma_{3}+\frac{i}{4}|q|^{4}\sigma_{3}+\frac{1}{2}(q{\bar{q}}_{x}-\bar{q}q_{x})\sigma_{3},\end{split}$ (1.12) with $\sigma_{3}=\left(\begin{array}[]{lc}1&0\\\ 0&-1\end{array}\right)$, and $\Psi(x,t;k)$ is a $2\times 2$ matrix-value function,$k\in{\mathbb{C}}$ is a spectral parameter, and the matrix coefficient $Q$ is expressed in terms of a scalar function $q$: $Q=\left(\begin{array}[]{lc}0&q\\\ -\bar{q}&0\end{array}\right),$ (1.13) It is well-known [34] that this over-determined system of equations (1.11) is compatible if and only if $q(x,t)$ solves the DNLS equation (1.6a). In Section 2 we present these dedicated solutions(eigenfunctions) and associated spectral functions.All these functions are then used in Section 3 for constructing a basic Riemann-Hilbert problem,whose solution gives the solution of the initial value problem (1.6a),(1.6b).Section 4 develops the asymptotic analysis of this Riemann-Hilbert problem leading to asymptotic formulas for the solution of the original Cauchy problem (1.6). ## 2\. Eigenfunctions Let $Q^{p}$ be defined by (1.13) with $q^{p}$ instead of $q$. A particular solution of the system (1.11),with $Q^{p}$ instead of $Q$,is given by $\Psi^{p}(x,t;k)=e^{i(\omega t-Bx)\sigma_{3}}E(k)e^{-i(xX(k)+t\Omega(k))\sigma_{3}},$ (2.1) where $X(k)=\sqrt{(k^{2}-B-\frac{A^{2}}{2})^{2}+k^{2}A^{2}},$ (2.2) $\Omega(k)=2(k^{2}+B)X(k).$ (2.3) $E(k)=\frac{1}{2}\left(\begin{array}[]{lc}\varphi(k)+\frac{1}{\varphi(k)}&\varphi(k)-\frac{1}{\varphi(k)}\\\ \varphi(k)-\frac{1}{\varphi(k)}&\varphi(k)+\frac{1}{\varphi(k)}\end{array}\right)$ (2.4) with $\varphi(k)=(\frac{k^{2}-B-\frac{A^{2}}{2}-ikA}{k^{2}-B-\frac{A^{2}}{2}+ikA})^{\frac{1}{4}},$ (2.5) The branch cut for $X$ and $\varphi$ is taken along the segment $\gamma\cup\bar{\gamma}:=\\{k\in{\mathbb{C}}|k_{1}^{2}-k_{2}^{2}=B,k_{1}^{2}\leq C^{2}\\},$ (2.6) where $\gamma=\\{k\in{\mathbb{C}}|k_{1}^{2}-k_{2}^{2}=B,k_{1}^{2}\leq C^{2},\mathrm{Im}k^{2}>0\\}$, $C^{2}=B+\frac{A^{2}}{4}$, $k_{1}=\mathrm{Re}{k}$ and $k_{2}=\mathrm{Im}{k}$. And the branches are fixed by the asymptotics: $X(k)=k^{2}-B+O(\frac{1}{k^{2}}),\qquad\mbox{as }k\rightarrow\infty,$ $\varphi(k)=1+O(\frac{1}{k}),\qquad\mbox{as }k\rightarrow\infty.$ We find that $\Omega(k)=2k^{4}+\omega+O(\frac{1}{k}),\mbox{as }k\rightarrow\infty$. We also find that $\mathrm{Im}{X(k)}=0$ is $k_{1}k_{2}(k_{1}^{2}-k_{2}^{2}-B)=0,$ (2.7) which is on $\Sigma:={\mathbb{R}}\cup i{\mathbb{R}}\cup\gamma\cup\bar{\gamma}.$ (2.8) Thus, for any $t\geq 0$, $\Psi^{p}(x,t;k)$ is bounded in $x$ if and only if $k\in\Sigma$. Let $q(x,t)$ be a solution of the Cauchy problem (1.6a),(1.6b) satisfying the asymptotic conditions (1.9),(1.10), and let $Q(x,t)$ and $Q^{p}(x,t)$ be defined by (1.13), in terms of $q$ and $q^{p}$, respectively.Define the $2\times 2$ matrix-value functions $\mu_{j}(x,t;k)$, $j=1,2$, $-\infty<x<\infty,0\leq t<\infty$, as the solutions of the Volterra integral equations: $\mu_{1}(x,t;k)=\mathbb{I}+\int_{+\infty}^{x}e^{ik^{2}(y-x)\sigma_{3}}(kQ\mu_{1})(y,t;k)e^{-ik^{2}(y-x)\sigma_{3}},\qquad k^{2}\in{\mathbb{R}},$ (2.9) $\displaystyle\mu_{2}(x,t;k)$ $\displaystyle=$ $\displaystyle e^{i(\omega t-Bx)\sigma_{3}}E(k)$ $\displaystyle+\int_{-\infty}^{x}\Gamma^{p}(x,y,t,k)k[Q-Q^{p}](y,t)\mu_{2}(y,t,k)e^{-ik^{2}(y-x)\sigma_{3}},k\in\Sigma,$ where $\Gamma^{p}(x,y,t,k):=\Psi^{p}(x,t,k)[\Psi^{p}(y,t,k)]^{-1}.$ Note that $\Gamma^{p}$ can be written in the form $\Gamma^{p}(x,y,t,k)=e^{i(\omega t-Bx)\sigma_{3}}G^{p}(x,y,k)e^{-i(\omega t-By)\sigma_{3}},$ where $G^{p}(x,y,k)=\left(\begin{array}[]{cc}\alpha+i(k^{2}-B-\frac{A^{2}}{2})\beta&-kA\beta\\\ kA\beta&\alpha-i(k^{2}-B-\frac{A^{2}}{2})\beta\end{array}\right),$ with $\alpha=\cos[(y-x)X(k)],\qquad\beta=\frac{\sin[(y-x)X(k)]}{X(k)}.$ For any $(x,y)\in{\mathbb{R}}^{2}$,$G^{p}(x,y,k)$ is an entire function of $k$ with asymptotic behavior $G^{p}(x,y,k)=e^{i(y-x)(k^{2}-B-\frac{A^{2}}{2})\sigma_{3}}[\mathbb{I}+O(\frac{1}{k})],\qquad\mbox{as }k\rightarrow\infty,\quad\mathrm{Im}{k^{2}}=0.$ The analytic properties of the $2\times 2$ matrices $\mu_{j}(x,t;k)$, $j=1,2$, that follow from (2.9) and (2) are collected in the following proposition.We denote by $\mu_{j}^{(1)}(x,t,k)$ and $\mu_{j}^{(2)}(x,t,k)$ the columns of $\mu_{j}(x,t;k)$. ###### Proposition 2.1. The matrices $\mu_{1}(x,t;k)$ and $\mu_{2}(x,t;k)$ have the following properties: 1. (i) $det\mu_{1}(x,t,k)=\mu_{2}(x,t;k)=1$. 2. (ii) The functions $\Phi(x,t,k)$ and $\Psi(x,t,k)$ defined by $\Psi(x,t,k):=\mu_{1}(x,t,k)e^{-ik^{2}x\sigma_{3}-2ik^{4}t\sigma_{3}},$ $\Phi(x,t,k):=\mu_{2}(x,t;k)e^{-ixX(k)\sigma_{3}-it\Omega(k)\sigma_{3}}.$ satisfy the Lax pair equations (1.11). 3. (iii) $\mu_{1}^{(1)}(x,t,k)$ is analytic in $\mathrm{Im}k^{2}<0$ and $\mu_{1}^{(1)}(x,t,k)=\left(\begin{array}[]{c}1\\\ 0\end{array}\right)+O(\frac{1}{k}),\mbox{as }k\rightarrow\infty,\quad\mathrm{Im}k^{2}\leq 0.$ 4. (iv) $\mu_{1}^{(2)}(x,t,k)$ is analytic in $\mathrm{Im}k^{2}>0$ and $\mu_{1}^{(2)}(x,t,k)=\left(\begin{array}[]{c}0\\\ 1\end{array}\right)+O(\frac{1}{k}),\mbox{as }k\rightarrow\infty,\quad\mathrm{Im}k^{2}\geq 0.$ 5. (v) $\mu_{2}^{(1)}(x,t,k)$ is analytic in $\mathrm{Im}k^{2}>0\backslash\gamma$,has a jump across $\gamma$, and $\mu_{2}^{(1)}(x,t,k)=\left(\begin{array}[]{c}1\\\ 0\end{array}\right)+O(\frac{1}{k}),\mbox{as }k\rightarrow\infty,\quad\mathrm{Im}k^{2}\geq 0.$ 6. (vi) $\mu_{2}^{(2)}(x,t,k)$ is analytic in $\mathrm{Im}k^{2}<0\backslash\bar{\gamma}$,has a jump across $\bar{\gamma}$, and $\mu_{2}^{(2)}(x,t,k)=\left(\begin{array}[]{c}0\\\ 1\end{array}\right)+O(\frac{1}{k}),\mbox{as }k\rightarrow\infty,\quad\mathrm{Im}k^{2}\leq 0.$ 7. (vii) Moreover, $\mu_{j}^{(1)}(x,t,k)=\mathbb{I}+\frac{\tilde{\mu}(x,t)}{ik}+o(\frac{1}{k})$ as $k\rightarrow\infty$ along curves transversal to the real and image axis, where $[\sigma_{3},\tilde{\mu}(x,t)]=\left(\begin{array}[]{cc}0&q(x,t)\\\ -\bar{q}(x,t)&0\end{array}\right)$ 8. (viii) $\mu_{2}^{(2)}(x,t,k)(k-E)^{\frac{1}{4}}$ is boundary near $k=E$ and $\mu_{2}^{(2)}(x,t,k)(k-\bar{E})^{\frac{1}{4}}$ is boundary near $k=\bar{E}$. Since the eigenfunctions $\Psi(x,t,k)$ and $\Phi(x,t,k)$ satisfy both equations of the Lax pair, we have $\Phi(x,t,k)=\Psi(x,t,k)S(k),\qquad k^{2}\in{\mathbb{R}},$ (2.11) where $S(k)$ is independent of $(x,t)$. Since (see (2.9) and (2) for $t=0$) $\Psi(x,0,k)=e^{-ik^{2}x\sigma_{3}},\qquad\mbox{for }x\geq 0,$ $\Phi(x,0,k)=e^{-iBx\sigma_{3}}E(k)e^{-ixX(k)\sigma_{3}},\qquad\mbox{for }x\leq 0,$ we conclude that $S(k)=\Psi^{-1}(0,0,k)\Phi(0,0,k)=\Phi(0,0,k)=E(k).$ (2.12) Thus, we have $S(k)=\left(\begin{array}[]{cc}\bar{a}(\bar{k})&b(k)\\\ -\bar{b}(\bar{k})&a(k)\end{array}\right)=\left(\begin{array}[]{cc}a(k)&b(k)\\\ b(k)&a(k)\end{array}\right),$ (2.13) where $\begin{split}&a(k)=\bar{a}(\bar{k})=\frac{1}{2}[\varphi(k)+\frac{1}{\varphi(k)}],\\\ &b(k)=-\bar{b}(\bar{k})=\frac{1}{2}[\varphi(k)-\frac{1}{\varphi(k)}].\end{split}$ (2.14) ## 3\. The basic Riemann-Hilbert problem The scattering relation (2.11) involving the eigenfunctions $\Psi(x,t,k)$ and $\Phi(x,t,k)$ can be rewritten in the form of conjugation of boundary values of a piecewise analytic matrix-value function on a contour in the complex $k-$plane,namely: $M_{+}(x,t,k)=M_{-}(x,t,k)J(x,t,k),\qquad k\in\Sigma,$ (3.1) where $M_{\pm}(x,t,k)$ denote the boundary vales of $M(x,t,k)$ according to a chosen orientation of $\Sigma$, and $\Sigma={\mathbb{R}}\cup i{\mathbb{R}}\cup\gamma\cup\bar{\gamma}$. Indeed,let us write (2.11) in the vector form: $\begin{split}&\frac{\Phi^{(1)}(x,t,k)}{a(k)}=\Psi^{(1)}(x,t,k)+r(k)\Psi^{(2)}(x,t,k),\\\ &\frac{\Phi^{(2)}(x,t,k)}{a(k)}=r(k)\Psi^{(1)}(x,t,k)+\Psi^{(2)}(x,t,k),\end{split}$ (3.2) where $r(k):=\frac{b(k)}{a(k)}=\frac{i}{kA}[k^{2}-B-\frac{A^{2}}{2}-X(k)],$ (3.3) and define the matrix $M(x,t,k)$ as follows: $M(x,t,k)=\left\\{\begin{array}[]{cc}(\begin{array}[]{cc}\frac{\Phi^{(1)}(x,t,k)}{a(k)}e^{it\theta(k)}&\Psi^{(2)}(x,t,k)e^{-it\theta(k)}\end{array}),&k\in\\{k\in{\mathbb{C}}|\mathrm{Im}k^{2}>0\backslash\gamma\\},\\\ (\begin{array}[]{cc}\Psi^{(1)}(x,t,k)e^{it\theta(k)}&\frac{\Phi^{(2)}(x,t,k)}{a(k)}e^{-it\theta(k)}\end{array}),&k\in\\{k\in{\mathbb{C}}|\mathrm{Im}k^{2}<0\backslash\bar{\gamma}\\},\end{array}\right.$ (3.4) where $\theta(k):=2k^{4}+\frac{x}{t}k^{2},$ (3.5) Then the boundary values $M_{+}(x,t,k)$ and $M_{-}(x,t,k)$ relative to $\Sigma$ are related by (3.1),where $J(x,t,k)=\left\\{\begin{array}[]{lc}\left(\begin{array}[]{cc}1-r^{2}(k)&-r(k)e^{-2it\theta(k)}\\\ r(k)e^{2it\theta(k)}&1\end{array}\right),&k^{2}\in{\mathbb{R}},\\\ \left(\begin{array}[]{cc}1&0\\\ f(k)e^{2it\theta(k)}&1\end{array}\right),&k^{2}\in\gamma,\\\ \left(\begin{array}[]{cc}1&f(k)e^{-2it\theta(k)}\\\ 0&1\end{array}\right),&k^{2}\in\bar{\gamma},\end{array}\right.$ (3.6) with $f(k):=r_{+}(k)-r_{-}(k).$ (3.7) The jump relation (3.1) considered together with the properties of the eigenfunctions listed in Proposition 1 suggests a way of representing the solution to the Cauchy problem (1.6a) and (1.6b) in terms of the solution of the Riemann-Hilbert problem, which is specified by the initial conditions (1.6b) via the associated spectral function $r(k)$. The solution $q(x,t)$ of the initial value problem (1.6a) and (1.6b) can be expressed in terms of the solution of the basic Riemann-Hilbert problem as follows: $q(x,t)=2i\lim_{k\rightarrow\infty}(kM(x,t,k))_{12}.$ (3.8) where $M$ is the solution of the following Riemann-Hilbert problem: Basic Riemann-Hilbert problem i@. Given $r(k),k^{2}\in{\mathbb{R}}$ and $f(k)=r_{+}(k)-r_{-}(k),k^{2}\in\gamma\cup\bar{\gamma}$, and $\Sigma={\mathbb{R}}\cup i{\mathbb{R}}\cup\gamma\cup\bar{\gamma}$, find a $2\times 2$ matrix-value function $M(x,t,k)$ such that 1. (i) $M(x,t,k)$ is analytic in $k\in{\mathbb{C}}\backslash\Sigma$. 2. (ii) $M(x,t,k)$ is bounded at the end points $E$ and $\bar{E}$. 3. (iii) The boundary value $M_{\pm}(x,t,k)$ at $\Sigma$ satisfy the jump condition $M_{+}(x,t,k)=M_{-}(x,t,k)J(x,t,k),\quad k\in\Sigma$ where the jump matrix $J(x,t,k)$ is defined in terms of $r(k)$ and $f(k)$ by (3.6). 4. (iv) Behavior at $\infty$ $M(x,t,k)=\mathbb{I}+O(\frac{1}{k}),\qquad\mbox{as }k\rightarrow\infty.$ If we try to analysis the long-time asymptotic behavior of the GI-type of DNLS equation (1.6a) and (1.6b) with step-like initial value problem, this type of Riemann-Hilbert problem has a contradiction in the plane wave region. So we try to derive a new Riemann-Hilbert problem, which is similar to the type of nonlinear Schrödinger equation, to overcome this contradiction. That means we arrive at the following Riemann-Hilbert problem. We define $N(x,t,k)=k^{-\frac{\hat{\sigma}_{3}}{2}}M(x,t,k),$ (3.9) then the jump condition for $N$ is $N_{+}(x,t,k)=N_{-}(x,t,k)e^{-i(k^{2}x+2k^{4}t)\hat{\sigma}_{3}}J_{N}(x,t,k).$ (3.10) introducing $\lambda=k^{2}$ and control the branch of $k$ as $Sign\mathrm{Im}k=Sign\mathrm{Im}\lambda$, and define the modified scattering data $\rho(\lambda)=\frac{r(k)}{k}$, [13]. Then $X(\lambda)=\sqrt{(\lambda-B-\frac{A^{2}}{2})^{2}+\lambda A^{2}}=\sqrt{(\lambda-B)^{2}+\frac{A^{4}}{4}+A^{2}B},$ (3.11) $\Omega(\lambda)=2(\lambda+B)X(\lambda).$ (3.12) and the segment $\gamma\cup\bar{\gamma}:=\\{\lambda\in{\mathbb{C}}|\lambda_{1}=B,\lambda_{2}^{2}\leq D^{2}\\},$ (3.13) where $\gamma=\\{k\in{\mathbb{C}}|\lambda_{1}=B,\lambda_{2}^{2}\leq D^{2},\mathrm{Im}\lambda_{2}>0\\}$, $D^{2}=A^{2}B+\frac{A^{4}}{4}$, $\lambda_{1}=\mathrm{Re}{\lambda}$ and $\lambda_{2}=\mathrm{Im}{\lambda}$. Let $E=B+iD$, then $\gamma=[E,B]$ and $\bar{\gamma}=[B,\bar{E}]$. And the jump condition for $N$ is $N_{+}(x,t,\lambda)=N_{-}(x,t,\lambda)e^{-i(\lambda x+2\lambda^{2}t)\hat{\sigma}_{3}}J_{N}(x,t,\lambda).$ (3.14) where $J_{N}(x,t,\lambda)=\left\\{\begin{array}[]{ll}\left(\begin{array}[]{cc}1-\lambda\rho(\lambda)^{2}&-\rho(\lambda)e^{-2it\theta(\lambda)}\\\ \lambda\rho(\lambda)e^{2it\theta(\lambda)}&1\end{array}\right),&\lambda\in{\mathbb{R}},\\\ \left(\begin{array}[]{cc}1&0\\\ \lambda f(\lambda)e^{2it\theta(\lambda)}&1\end{array}\right),&\lambda\in\gamma,\\\ \left(\begin{array}[]{cc}1&f(\lambda)e^{-2it\theta(\lambda)}\\\ 0&1\end{array}\right),&\lambda\in\bar{\gamma},\end{array}\right.$ (3.15) where $f(\lambda)=\rho(\lambda)_{+}-\rho(\lambda)_{-}.$ (3.16) Figure 1. The oriented contour $\Sigma={\mathbb{R}}\cup\gamma\cup\bar{\gamma}$. In other word,we have the following basic Riemann-Hilbert problem Basic Riemann-Hilbert problem ii@. Given $\rho(\lambda),\lambda\in{\mathbb{R}}$ and $f(\lambda)=\rho(\lambda)_{+}-\rho(\lambda)_{-},\lambda\in\gamma\cup\bar{\gamma}$, and $\Sigma={\mathbb{R}}\cup\gamma\cup\bar{\gamma}$, find a $2\times 2$ matrix-value function $N(x,t,\lambda)$ such that 1. (i) $N(x,t,\lambda)$ is analytic in $\lambda\in{\mathbb{C}}\backslash\Sigma$. 2. (ii) $N(x,t,\lambda)$ is bounded at the end points $E$ and $\bar{E}$. 3. (iii) The boundary value $N_{\pm}(x,t,\lambda)$ at $\Sigma$ satisfy the jump condition $N_{+}(x,t,\lambda)=N_{-}(x,t,\lambda)J_{N}(x,t,\lambda),\quad\lambda\in\Sigma\backslash\\{E,\bar{E},B\\},$ where the jump matrix $J_{N}(x,t,k)$ is defined in terms of $\rho(\lambda)$ and $f(\lambda)$ by (3.15). 4. (iv) Behavior at $\infty$ $N(x,t,\lambda)=\mathbb{I}+O(\frac{1}{\lambda}),\qquad\mbox{as }\lambda\rightarrow\infty.$ ## 4\. Long-time Asymptotics The representation of the solution $q(x,t)$ of the initial value problem (1.6) in terms of the solution of an associated basic Riemann-Hilbert problem allows using the ideas of the asymptotic analysis of oscillating Riemann-Hilbert problems [9, 28, 10, 11, 32] for studying the long-time asymptotics of $q(x,t)$. The key fact leading to different asymptotics in different regions of the $(x,t)$ half-plane is that the behavior of the jump matrix of the basic Riemann-Hilbert problem as a function of the large parameter $t$ is different in these regions. Indeed, as seen on (3.15), this behavior is governed by the sign of $\mathrm{Im}\theta(\lambda)$, which itself depends on $\xi=\frac{x}{4t}$. As we have already written, three regions are to be distinguished: 1. (i) A Zakharov-Manakov region:$\xi>-B$. 2. (ii) A plane wave region:$\xi<-\sqrt{2}D-B$. 3. (iii) An elliptic wave region:$-\sqrt{2}D-B<\xi<-B$. Figure 2. The different regions of the $(x,t)-$plane. ### 4.1. The Zakharov-Manakov region:$\xi>-B$ In this region $\xi>-B$, we have $\mathrm{Im}\theta(\lambda)>0$ for all $\lambda\in\gamma$ and $\mathrm{Im}\theta(\lambda)<0$ for all $\lambda\in\bar{\gamma}$. Therefore, the exponentials in the jump matrix $J_{N}$, see (3.15), are decaying as $t\rightarrow+\infty$ for $\lambda\in\Sigma\backslash{\mathbb{R}}$. This implies that one can follow the technique of asymptotic analysis proposed for the first time in [9]. The basic step of the procedure is a deformation of the original Riemann-Hilbert problem, with the help of the solution of an appropriate scalar Riemann-Hilbert problem, in order to obtain an equivalent Riemann-Hilbert problem whose jump matrix decays, in $t$, to a constant (in $\lambda$) matrix. This leads to model Riemann-Hilbert problems whose solutions can be given explicitly. A particular feature of the Riemann-Hilbert problem under consideration is that the contour of the modified Riemann-Hilbert problem contains neither the real axis, where the jump matrix for the original Riemann-Hilbert problem oscillates with $t$, see (3.15), nor the finite parts $\gamma$ and $\bar{\gamma}$. This happens due to the pure step-like initial conditions, which in turn implies that the associated spectral functions $\rho(\lambda)$ and $\lambda\rho(\lambda)$ can be analytically extended from the contour to the whole $\lambda$-plane. #### 4.1.1. First transformation The first transform is as usual: $N^{(1)}(x,t,\lambda)=N(x,t,\lambda)\delta^{-\sigma_{3}}(\lambda),$ (4.1) where ([41]) $\delta(\lambda)=\exp{\frac{1}{2\pi i}}\int_{-\infty}^{\lambda_{0}}\frac{\log{(1-\lambda^{\prime}\rho(\lambda^{\prime})^{2})}}{\lambda^{\prime}-\lambda}d\lambda^{\prime},$ (4.2) is the solution of the following scalar Riemann-Hilbert problem: * • $\delta(\lambda)$ is analytic in ${\mathbb{C}}\backslash(-\infty,\lambda_{0}]$, * • $\delta(\lambda)\rightarrow 1$ as $\lambda\rightarrow\infty$, * • $\delta(\lambda)$ satisfies the jump relation $\delta_{+}(\lambda)=\delta_{-}(\lambda)(1-\lambda\rho^{2}(\lambda)),\qquad\lambda\in(-\infty,\lambda_{0}).$ (4.3) Here, $\lambda_{0}$ is the stationary point of the phase function $\theta(\lambda)=2\lambda^{2}+4\xi\lambda$, that is, $\theta^{\prime}(\lambda_{0})=0$: $\lambda_{0}=-\xi=\frac{-x}{4t}.$ Then $N^{(1)}(x,t,\lambda)$ satisfies the jump condition $\begin{split}&N_{+}^{(1)}(x,t,\lambda)=N_{-}^{(1)}(x,t,N)J_{N}^{(1)}(x,t,\lambda),\\\ &\lambda\in\Sigma^{(1)}=\Sigma,\end{split}$ (4.4) where $J_{N}^{(1)}(x,t,\lambda)=\delta_{-}^{\sigma_{3}}J_{N}\delta_{+}^{-\sigma_{3}},$ that is $J_{N}^{(1)}(x,t,\lambda)=\left\\{\begin{array}[]{lc}e^{-it\theta\hat{\sigma}_{3}}\left(\begin{array}[]{cc}\frac{\delta_{-}}{\delta_{+}}(1-\lambda\rho(\lambda)^{2})&-\rho\delta_{+}\delta_{-}\\\ \frac{\lambda\rho}{\delta_{+}\delta_{-}}&\frac{\delta_{+}}{\delta_{-}}\end{array}\right),&\qquad\lambda\in{\mathbb{R}},\\\ \left(\begin{array}[]{cc}\frac{\delta_{-}}{\delta_{+}}&0\\\ \frac{\lambda f}{\delta_{+}\delta_{-}}e^{2it\theta\sigma_{3}}&\frac{\delta_{+}}{\delta_{-}}\end{array}\right),&\qquad\lambda\in\gamma,\\\ \left(\begin{array}[]{cc}\frac{\delta_{-}}{\delta_{+}}&f\delta_{+}\delta_{-}e^{-2it\theta\sigma_{3}}\\\ 0&\frac{\delta_{-}}{\delta_{+}}\end{array}\right),&\qquad\lambda\in\bar{\gamma}.\end{array}\right.$ (4.5) From the Riemann-Hilbert problem of the $\delta$, we can find $J_{N}^{(1)}(x,t,\lambda)=\left\\{\begin{array}[]{lc}e^{-it\theta\hat{\sigma}_{3}}\left(\begin{array}[]{cc}1-\lambda\rho^{2}&-\rho\delta^{2}\\\ \frac{\lambda\rho}{\delta^{2}}&1\end{array}\right),&\qquad\lambda>\lambda_{0},\\\ e^{-it\theta\hat{\sigma}_{3}}\left(\begin{array}[]{cc}1&\frac{-\rho}{1-\lambda\rho^{2}}\delta_{-}^{2}\\\ \frac{\lambda\rho}{1-\lambda\rho^{2}}\frac{1}{\delta_{+}^{2}}&1-\lambda\rho^{2}\end{array}\right),&\qquad\lambda<\lambda_{0},\\\ \left(\begin{array}[]{cc}1&0\\\ \frac{\lambda f}{\delta^{2}}e^{2it\theta}&1\end{array}\right),&\qquad\lambda\in\gamma,\\\ \left(\begin{array}[]{cc}1&f\delta^{2}e^{-2it\theta}\\\ 0&1\end{array}\right),&\qquad\lambda\in\bar{\gamma}.\end{array}\right.$ (4.6) #### 4.1.2. Second transformation The next transformation is: $N^{(2)}(x,t,\lambda)=N^{(1)}(x,t,\lambda)G(\lambda),$ (4.7) where $G(\lambda)=\left\\{\begin{array}[]{ll}\left(\begin{array}[]{cc}1&\frac{\rho}{1-\lambda\rho^{2}}\delta_{-}^{2}e^{-2it\theta}\\\ 0&1\end{array}\right),&\qquad\lambda\in D_{1},\\\ \left(\begin{array}[]{cc}1&0\\\ \frac{\lambda\rho}{1-\lambda\rho^{2}}\frac{1}{\delta_{+}^{2}}e^{2it\theta}&1\end{array}\right),&\qquad\lambda\in D_{2},\\\ \left(\begin{array}[]{cc}1&-\rho\delta^{2}e^{-2it\theta}\\\ 0&1\end{array}\right),&\qquad\lambda\in D_{3},\\\ \left(\begin{array}[]{cc}1&0\\\ \frac{-\lambda\rho}{\delta^{2}}e^{2it\theta}&1\end{array}\right),&\qquad\lambda\in D_{4},\\\ \mathbb{I},&\qquad\lambda\in D_{5}\cup D_{6}.\end{array}\right.$ (4.8) The domains $D_{1},\ldots D_{6}$ are shown on the following Figure. Figure 3. The oriented contour $\Sigma^{(2)}=L_{1}\cup L_{2}\cup L_{3}\cup L_{4}$. This new function $N^{(2)}$ solves the equivalent Riemann-Hilbert problem: $\begin{split}&N_{+}^{(2)}(x,t,\lambda)=N_{-}^{(2)}(x,t,\lambda)J_{N}^{(2)}(x,t,\lambda),\\\ &\lambda\in\Sigma^{(2)},\end{split}$ where $\small J_{N}^{(2)}(x,t,\lambda)=\left\\{\begin{array}[]{ll}\left(\begin{array}[]{cc}1&\frac{-\rho}{1-\lambda\rho^{2}}\delta_{-}^{2}e^{-2it\theta}\\\ 0&1\end{array}\right),&\qquad\lambda\in L_{1},\\\ \left(\begin{array}[]{cc}1&0\\\ \frac{\lambda\rho}{1-\lambda\rho^{2}}\frac{1}{\delta_{+}^{2}}e^{2it\theta}&1\end{array}\right),&\qquad\lambda\in L_{2},\\\ \left(\begin{array}[]{cc}1&-\rho\delta^{2}e^{-2it\theta}\\\ 0&1\end{array}\right),&\qquad\lambda\in L_{3},\\\ \left(\begin{array}[]{cc}1&0\\\ \frac{\lambda\rho}{\delta^{2}}e^{2it\theta}&1\end{array}\right),&\qquad\lambda\in L_{4}.\end{array}\right.$ (4.9) #### 4.1.3. The last transformation Now $J_{N}^{(2)}(x,t,\lambda)$ decays exponentially fast to the identity matrix, as $t\rightarrow+\infty$, and uniformly outside any neighborhood of $\lambda=\lambda_{0}$. Thus, we are in a situation where the asymptotic analysis of [41] works. Particularly, $N^{(2)}(x,t,\lambda)=Z(x,t,\lambda)N^{as}(x,t,\lambda),$ where $N^{as}(x,t,\lambda)$ is a solution of the model problem explicitly given in terms of parabolic cylinder functions whereas $Z(x,t,\lambda)$ can be estimated: $Z(x,t,\lambda)=\mathbb{I}+O(\frac{logt}{t^{\frac{1}{2}}}).$ Therefore, the final asymptotic result is as in [41] giving the main term of the asymptotic in terms of the modified reflection coefficient $\rho(\lambda)$: ###### Theorem 4.1. (The Zakharov-Manakov region) In the region $x>-4tB$, the asymptotics, as $t\rightarrow+\infty$, of the solution $q(x,t)$ of the initial value problem (1.6) is described by the Zakharov-Manakov type formula $q(x,t)=q_{as}(x,t)+O(\frac{\log t}{t})$ (4.10) where $\begin{array}[]{l}q_{as}=\frac{1}{\sqrt{t}}\alpha(\lambda_{0})e^{\frac{ix^{2}}{4t}-i\nu(\lambda_{0})\log t},\\\ |\alpha(\lambda_{0})|^{2}=\frac{\nu(\lambda_{0})}{2}=-\frac{1}{4\pi}\log(1-\lambda_{0}|\rho(\lambda_{0})|^{2}),\\\ \arg\alpha(\lambda_{0})=-3\nu\log 2-\frac{\pi}{4}+\arg\Gamma(i\nu)-\arg r(\lambda_{0})+\frac{1}{\pi}\int_{-\infty}^{\lambda_{0}}\log|\lambda-\lambda_{0}|d\log(1-\lambda|\rho(\lambda)|^{2}),\\\ \lambda_{0}=-\frac{x}{4t}.\end{array}$ (4.11) ### 4.2. The plane wave region: $\xi<-\sqrt{2}D-B$ For $x<-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})$, that means, $\mathrm{Im}\theta(\lambda)$ is negative on $\gamma$ and positive on $\bar{\gamma}$, which implies that the exponentials in (3.15) increase with $t$. Thus, the jump matrix $J_{N}$ for the Riemann-Hilbert problem does not converge to a reasonable limit as $t\rightarrow\infty$. To bypass this difficulty, one deforms the Riemann-Hilbert problem in such a way that the phase $\mathrm{Im}\theta(\lambda)$ is replaced by another function, $g(\lambda)$, providing suitable behavior of the modified jump matrix. The extension of the nonlinear steepest descent method for Riemann- Hilbert problems, involving the $g$-function mechanism was first proposed by Deift, Venakides, and Zhou, see [26, 27]. #### 4.2.1. The $g$ function A natural choice for a $g$-function appropriate for the region adjacent to the half-axis $x<0$, $t=0$, is the phase appearing in the explicit expression for the eigenfunction $\Psi^{p}$, see (2.1), associated with the potential $q^{p}$. Setting $g(x,t,\lambda)=xX(\lambda)+t\Omega(\lambda),$ (4.12) where $X(\lambda)$ and $\Omega(\lambda)$ are defined in (3.11) and (3.12),we have $\Psi^{p}(x,t,k)=e^{i(\omega t-Bx)\sigma_{3}}E(\lambda)e^{-ig(x,t,\lambda)\sigma_{3}}$ (4.13) The signature table for $\mathrm{Im}g(\lambda;\xi)$ is the partition of the $\lambda$-plane into maximal domains where the sign of $\mathrm{Im}g(\lambda;\xi)$ is constant. Its form can be controlled by the zeros of the differential $dg(\lambda)$. Indeed, $dg(\lambda)=4\frac{(\lambda-\mu_{+})(\lambda-\mu_{-})}{X(\lambda)}d\lambda,$ (4.14) where $\mu_{\pm}=\frac{B-\xi}{2}\pm\sqrt{\frac{(B+\xi)^{2}}{4}-\frac{\frac{A^{4}}{4}+A^{2}B}{2}},$ (4.15) Thus, for $\xi<-(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})$, $\mu_{\pm}$ are both real. Moreover, $B<\mu_{-}<\mu_{+}<-\xi.$ In what follows the signature table of the function $\mathrm{Im}g(\lambda)$ for different values of $\xi$ plays a very important role. The lines of separation between the different domains are the real axile $\lambda_{2}=0,$ and the algebraic curve $\lambda_{2}^{2}(\lambda_{1}+\xi)=(\lambda_{1}+B+2\xi)[(\lambda_{1}-B)(\lambda_{1}+\xi)+\frac{\frac{A^{4}}{4}+A^{2}B}{2}],$ (4.16) They are indeed given by $\mathrm{Im}g(\lambda)=0$. Because of $\mathrm{Im}g(\lambda)=4\lambda_{2}\\{(\lambda_{1}+B+2\xi)[(\lambda_{1}-B)(\lambda_{1}+\xi)+\frac{\frac{A^{4}}{4}+A^{2}B}{2}]-\lambda_{2}^{2}(\lambda_{1}+\xi)\\}$ The equation (4.16) can be written: $\lambda_{2}^{2}(\lambda_{1}+\xi)=(\lambda_{1}+B+2\xi)[(\lambda_{1}-\mu_{+})(\lambda_{1}-\mu_{-})].$ And the signature table of the function $\mathrm{Im}g(\lambda)$ is shown in the following Figure 4. Figure 4. The curves of $\mathrm{Im}g(\lambda)=0$ for $x<-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})$. The advantage of the signature table shown in Figure 4 is that there is a finite arc connecting the branch points $E$ and $\bar{E}$ such that $\mathrm{Im}g(\lambda)=0$ for all $\lambda$ along this arc. Since the jump matrix depends on $t$ via exponentials of type $e^{\pm ig(\lambda)}$, it is oscillatory along an arc where $\mathrm{Im}g(\lambda)=0$. This suggests to deform the original contour $\gamma\cup\bar{\gamma}$ of the basic Riemann-Hilbert problem to a new contour $\gamma_{g}\cup\bar{\gamma}_{g}$ which depends on $\xi$ and where $\mathrm{Im}g(\lambda)=0$, and to view $X(\lambda)$, thus also $g(\lambda)$ as functions with branch cut $\gamma_{g}\cup\bar{\gamma}_{g}$. Another important feature of $g(\lambda;\xi)$ is that it has, up to a constant, the same large $\lambda$ asymptotic behavior as the phase function $\theta(\lambda)$: $g(\lambda;\xi)=t(2\lambda^{2}+4\xi\lambda+g(\infty;\xi))+O(\frac{1}{\lambda}),\qquad\lambda\rightarrow\infty,$ (4.17) where $g(\infty;\xi)=(\omega-4B\xi).$ (4.18) #### 4.2.2. The first transformation We put $N^{(1)}(x,t,\lambda)=e^{-itg(\infty,\xi)\sigma_{3}}N(x,t,\lambda)e^{-i(\lambda x+2\lambda^{2}t-g(\lambda))\sigma_{3}},$ Then the matrix-value function $N^{(1)}(x,t,\lambda)$ satisfies the following Riemann-Hilbert problem: $N_{+}^{(1)}(x,t,\lambda)=N_{-}^{(1)}(x,t,\lambda)J_{N}^{(1)}(x,t,\lambda),\qquad\lambda\in\Sigma^{(1)}={\mathbb{R}}\cup\gamma_{g}\cup\bar{\gamma}_{g},$ with the jump matrix $J_{N}^{(1)}(x,t,\lambda)=\left\\{\begin{array}[]{lc}\left(\begin{array}[]{cc}1-\lambda\rho^{2}(\lambda)&-\rho(\lambda)e^{-2ig(\lambda)}\\\ \lambda\rho(\lambda)e^{2ig(\lambda)}&1\end{array}\right),&\qquad\lambda\in{\mathbb{R}},\\\ \left(\begin{array}[]{cc}e^{-2ig_{-}(\lambda)}&0\\\ \lambda f(\lambda)&e^{2ig_{-}(\lambda)}\end{array}\right),&\qquad\lambda\in\gamma_{g},\\\ \left(\begin{array}[]{cc}e^{-2ig_{-}(\lambda)}&f(\lambda)\\\ 0&e^{2ig_{-}(\lambda)}\end{array}\right),&\qquad\lambda\in\bar{\gamma}_{g}.\end{array}\right.$ (4.19) Here $g_{\pm}(\lambda)$ are boundary values of $g$ on $\gamma_{g}\cup\bar{\gamma}_{g}$, and they are real. We also use the equation $g_{+}(\lambda)=-g_{-}(\lambda)$. #### 4.2.3. The second transformation The next transformation is similar to the first transformation applied in the Zakharov Manakov region, see Section 4.1.1. It involves the solution $\delta(\lambda)$ of the scalar Riemann-Hilbert problem 4.3) but with $\mu_{+}$ instead of $\lambda_{0}$,where $\mu_{+}$ is the stationary point of the new phase function $g(\lambda)$. With this new scalar function $\delta(\lambda)$, we set $N^{(2)}(x,t,\lambda)=N^{(1)}(x,t,\lambda)\delta^{-\sigma_{3}}(\lambda),$ Then the matrix-value function $N^{(2)}(x,t,\lambda)$ satisfies the following Riemann-Hilbert problem $N^{(2)}_{+}(x,t,\lambda)=N^{(2)}_{-}(x,t,\lambda)J_{N}^{(2)}(x,t,\lambda),\qquad\lambda\in\Sigma^{(2)}=\Sigma^{(1)},$ (4.20) where $J_{N}^{(2)}(x,t,\lambda)$ is defined as follows: $J_{N}^{(2)}(x,t,\lambda)=\left\\{\begin{array}[]{lc}e^{-ig\hat{\sigma}_{3}}\left(\begin{array}[]{cc}1-\lambda\rho^{2}&-\rho\delta^{2}\\\ \frac{\lambda\rho}{\delta^{2}}&1\end{array}\right),&\qquad\lambda>\mu_{+},\\\ e^{-ig\hat{\sigma}_{3}}\left(\begin{array}[]{cc}1&\frac{-\rho}{1-\lambda\rho^{2}}\delta_{-}^{2}\\\ \frac{\lambda\rho}{1-\lambda\rho^{2}}\frac{1}{\delta_{+}^{2}}&1-\lambda\rho^{2}\end{array}\right),&\qquad\lambda<\mu_{+},\\\ \left(\begin{array}[]{cc}e^{-2ig_{-}(\lambda)}&0\\\ \frac{\lambda f}{\delta^{2}}&e^{2ig_{-}(\lambda)}\end{array}\right),&\qquad\lambda\in\gamma_{g},\\\ \left(\begin{array}[]{cc}e^{-2ig_{-}(\lambda)}&f\delta^{2}\\\ 0&e^{2ig_{-}(\lambda)}\end{array}\right),&\qquad\lambda\in\bar{\gamma}_{g}.\end{array}\right.$ (4.21) #### 4.2.4. The third transformation The subsequent transformation $N^{(3)}(x,t,\lambda)=N^{(2)}(x,t,\lambda)G(\lambda),$ involves $G(\lambda)$ defined similarly to (4.8), with $t\theta$ replaced by $g$ and $\lambda_{0}$ replaced by $\mu_{+}$. Then $N^{(3)}(x,t,\lambda)$ satisfies the jump relation $N_{+}^{(3)}(x,t,\lambda)=N_{-}^{(3)}(x,t,\lambda)J_{N}^{(3)}(x,t,\lambda),$ across to the contour $\Sigma^{(3)}=L_{1}\cup L_{2}\cup L_{3}\cup L_{4}\cup\gamma_{g}\cup\bar{\gamma}_{g},$ shown in Figure 5. Figure 5. The contour $\Sigma^{(3)}=L_{1}\cup L_{2}\cup L_{3}\cup L_{4}\cup\gamma_{g}\cup\bar{\gamma}_{g}$ of the Riemann-Hilbert problem for $N^{(3)}$ for $x<-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})$. And we notice that 1.For $\lambda\in L_{1}\cup L_{2}\cup L_{3}\cup L_{4}$ the jump matrix $J_{N}^{(3)}(x,t,\lambda)$ decays to the identity matrix, as $t\rightarrow\infty$, exponentially fast and uniformly outside any neighborhood of $\lambda=\mu_{+}$. 2.For $\lambda\in\gamma_{g}$, the jump matrix $J_{N}^{(3)}(x,t,\lambda)$ factorizes as $\small\left(\begin{array}[]{cc}1&(\frac{-\rho}{1-\lambda\rho^{2}})_{-}\delta^{2}e^{-2ig_{-}(\lambda)}\\\ 0&1\end{array}\right)\left(\begin{array}[]{cc}e^{-2ig_{(}\lambda)}&0\\\ \lambda f(\lambda)\delta^{-2}(\lambda)&e^{2ig_{-}(\lambda)}\end{array}\right)\left(\begin{array}[]{cc}1&(\frac{\rho}{1-\lambda\rho^{2}})_{+}\delta^{2}e^{2ig_{-}(\lambda)}\\\ 0&1\end{array}\right)$ (4.22) 3.For $\lambda\in\bar{\gamma}_{g}$, the jump matrix $J_{N}^{(3)}(x,t,\lambda)$ factorizes as $\small\left(\begin{array}[]{cc}1&0\\\ (\frac{-\lambda\rho}{1-\lambda\rho^{2}})_{-}\delta^{-2}e^{2ig_{-}(\lambda)}&1\end{array}\right)\left(\begin{array}[]{cc}e^{-2ig_{-}(\lambda)}&f(\lambda)\delta^{2}(\lambda)\\\ 0&e^{2ig_{-}(\lambda)}\end{array}\right)\left(\begin{array}[]{cc}1&0\\\ (\frac{\lambda\rho}{1-\lambda\rho^{2}})_{+}\delta^{-2}e^{2ig_{-}(\lambda)}&1\end{array}\right)$ (4.23) 4.Using the identities $1+\lambda f(\frac{-\rho}{1-\lambda\rho^{2}})_{-}=0,$ $1+f(\frac{\lambda\rho}{1-\lambda\rho^{2}})_{+}=0,$ we find $J_{N}^{(3)}(x,t,k)=\left\\{\begin{array}[]{lc}\left(\begin{array}[]{cc}0&-(\lambda f)^{-1}(\lambda)\delta^{2}(\lambda)\\\ \lambda f(\lambda)\delta^{-2}(\lambda)&0\end{array}\right),&\qquad\lambda\in\gamma_{g},\\\ \left(\begin{array}[]{cc}0&f(\lambda)\delta^{2}(\lambda)\\\ -f^{-1}(\lambda)\delta^{-2}(\lambda)&0\end{array}\right),&\qquad\lambda\in\bar{\gamma}_{g},\end{array}\right.$ (4.24) In order to arrive at a Riemann-Hilbert problem whose jump matrix does not depend on $\lambda$, we introduce a factorization involving a scalar function $F(\lambda)$ to be defined; $J_{N}^{(3)}(x,t,\lambda)=\left(\begin{array}[]{cc}F_{+}^{-1}(\lambda)&0\\\ 0&F_{+}(\lambda)\end{array}\right)\left(\begin{array}[]{cc}0&i\\\ i&0\end{array}\right)\left(\begin{array}[]{cc}F_{-}(\lambda)&0\\\ 0&F_{-}^{-1}(\lambda)\end{array}\right),$ (4.25) in such a way that the boundary values $F_{\pm}(\lambda)$ of $F(\lambda)$ along the two sides of $\gamma_{g}\cup\bar{\gamma}_{g}$ satisfy $F_{-}(\lambda)F_{+}(\lambda)=\left\\{\begin{array}[]{lc}-i\lambda f(\lambda)\delta^{-2}(\lambda)&\qquad\lambda\in\gamma_{g},\\\ if^{-1}(\lambda)\delta^{-2}(\lambda)&\qquad\lambda\in\bar{\gamma}_{g}.\end{array}\right.$ (4.26) Indeed, once (4.25) is satisfied, one can absorb the diagonal factors into a new piecewise analytic function whose jump across $\gamma_{g}\cup\bar{\gamma}_{g}$ is only the constant middle factor in (4.25). Thus, we arrive at the following scalar Riemann-Hilbert problem: Scalar Riemann-Hilbert problem. Find a scalar function $F(\lambda)$ such that * • $F(\lambda)$ and $F^{-1}(\lambda)$ are analytic in ${\mathbb{C}}\backslash\\{\gamma_{g}\cup\bar{\gamma}_{g}\\}$. * • $F(\lambda)$ satisfies the jump relation: $F_{+}(\lambda)F_{-}(\lambda)=\left\\{\begin{array}[]{lc}-i\lambda f(\lambda)\delta^{-2}(\lambda)=a_{+}^{-1}(\lambda)a_{-}^{-1}(\lambda)\sqrt{\lambda}\delta^{-2}(\lambda),&\qquad\lambda\in\gamma_{g},\\\ if^{-1}(\lambda)\delta^{-2}(\lambda)=a_{+}(\lambda)a_{-}(\lambda)\sqrt{\lambda}\delta^{-2}(\lambda),&\qquad\lambda\in\bar{\gamma}_{g}.\end{array}\right.$ (4.27) where the contour $\gamma_{g}\cup\bar{\gamma}_{g}$ is oriented from $E$ to $\bar{E}$, and * • $F(\lambda)$ is bounded at $\lambda=\infty$. Introducing $H(\lambda)=\left\\{\begin{array}[]{lc}F(\lambda)a(\lambda),&\qquad\lambda\in{\mathbb{C}}_{+}\backslash\gamma_{g},\\\ \frac{F(\lambda)}{a(\lambda)},&\qquad\lambda\in{\mathbb{C}}_{-}\backslash\bar{\gamma}_{g}.\end{array}\right.$ (4.28) then the jump relation (4.27) transforms to $[\frac{\log{H(\lambda)}}{X(\lambda)}]_{+}-[\frac{\log{H(\lambda)}}{X(\lambda)}]_{-}=\left\\{\begin{array}[]{ll}\frac{\log{\sqrt{\lambda}\delta^{-2}(\lambda)}}{X(\lambda)_{+}},&\qquad\lambda\in\gamma_{g}\cup\bar{\gamma}_{g},\\\ \frac{\log{a^{2}(\lambda)}}{X(\lambda)},&\qquad\lambda\in{\mathbb{R}}.\end{array}\right.$ (4.29) The Sokhotski-Plemelj formula shows that this last jump relation is satisfied by $H(k)=\exp\\{\frac{X(\lambda)}{2\pi i}[\int_{\gamma_{g}\cup\bar{\gamma}_{g}}\frac{\log{\sqrt{s}}+\log{\delta^{-2}(s,\xi)}}{s-\lambda}\frac{ds}{X_{+}(s)}+\int_{{\mathbb{R}}}\frac{\log ab(s)}{s-\lambda}\frac{ds}{X(s)}]\\}$ (4.30) Then $F(\lambda)$ is defined in terms of $H(\lambda)$ by (4.28). At $\lambda=\infty$ we find $F(\infty)=H(\infty)=e^{i\phi(\xi)},$ where $\phi(\xi)=\frac{1}{2\pi}[\int_{\gamma_{g}\cup\bar{\gamma}_{g}}\frac{\log{\sqrt{s}\delta^{-2}(s,\xi)}}{X_{+}(s)}ds+\int_{{\mathbb{R}}}\frac{\log a^{2}(s)}{X(s)}ds]$ (4.31) with $\delta(\lambda,\xi)=\exp{\frac{1}{2\pi i}}\int_{-\infty}^{\mu_{+}}\frac{\log{(1-\lambda^{\prime}\rho(\lambda^{\prime})^{2})}}{\lambda^{\prime}-\lambda}d\lambda^{\prime},$ (4.32) Using the relation $1-\lambda\rho^{2}(\lambda)=a^{-2}(\lambda)$, we find a simpler expression for $\phi(\xi)$: $\phi(\xi)=\frac{1}{2\pi}[\int_{\mu_{+}}^{+\infty}\log{a^{2}(\lambda)}\frac{d\lambda}{X(\lambda)}+\int_{\gamma_{g}\cup\bar{\gamma}_{g}}\frac{\log{\sqrt{\lambda}}}{X_{+}(\lambda)}d\lambda]$ #### 4.2.5. The fourth transformation The factorization (4.25) suggests a fourth transformation $N^{(4)}(x,t,\lambda)=F^{\sigma_{3}}(\infty,\xi)N^{(3)}(x,t,\lambda)F^{-\sigma_{3}}(\lambda,\xi),$ Then we have $N^{(4)}_{+}(x,t,\lambda)=N^{(4)}_{-}(x,t,\lambda)J_{N}^{(4)}(x,t,\lambda)$ For $\lambda\in\gamma_{g}\cup\bar{\gamma}_{g}$ the jump matrix $J_{N}^{(4)}(x,t,\lambda)$ is constant $J_{N}^{(4)}(x,t,\lambda)=J_{N}^{mod}=\left(\begin{array}[]{cc}0&i\\\ i&0\end{array}\right).$ 1.For $\lambda\in\gamma_{g}\cup\bar{\gamma}_{g}$ the jump matrix $J_{N}^{(4)}(x,t,\lambda)$ is constant: $J_{N}^{(4)}(x,t,\lambda)=J_{N}^{mod}=\left(\begin{array}[]{cc}0&i\\\ i&0\end{array}\right).$ 2.For $\lambda\in L\cup\bar{L}$, the jump matrix $J_{N}^{(4)}(x,t,\lambda)$ decays to the identity $J_{N}^{(4)}(x,t,\lambda)=\mathbb{I}+O(\frac{1}{e^{\varepsilon t}}).$ #### 4.2.6. The final transformation Finally, we can express $N^{(4)}$ in the form $N^{(4)}(x,t,\lambda)=N^{err}(x,t,\lambda)N^{mod}(x,t,\lambda),$ where $N^{mod}(x,t,\lambda)$ solves the model problem: $N_{-}^{mod}(x,t,\lambda)=N_{+}^{(mod)}(x,t,\lambda)J_{N}^{mod},\qquad\lambda\in\gamma_{g}\cup\bar{\gamma}_{g},$ (4.33) with constant jump matrix $J_{N}^{mod}=\left(\begin{array}[]{cc}0&i\\\ i&0\end{array}\right),$ and $N^{err}(x,t,\lambda)=\mathbb{I}+O(t^{-\frac{1}{2}})$. As for the model problem, since $\varphi(\lambda)_{-}=i\varphi(\lambda)_{+}$ on $\gamma_{g}\cup\bar{\gamma}_{g}$, its solution can be given explicitly in terms of $\varphi(\lambda)$: $N^{mod}(x,t,\lambda)=\frac{1}{2}\left(\begin{array}[]{cc}\varphi(\lambda)+\frac{1}{\varphi(\lambda)}&\varphi(\lambda)-\frac{1}{\varphi(\lambda)}\\\ \varphi(\lambda)-\frac{1}{\varphi(\lambda)}&\varphi(\lambda)+\frac{1}{\varphi(\lambda)}\end{array}\right).$ #### 4.2.7. Back to the original problem Let $N^{*}(x,t,\lambda)$, $*=$ (1),(2),(3),(4),mod, denote the solution of the Riemann-Hilbert problem $RH^{*}$, and let $m_{12}^{*}(x,t)=\lim_{\lambda\rightarrow\infty}(\lambda M^{*}(x,t,\lambda))_{12},$ Then, going back to the determination of $q(x,t)$ in terms of the solution of the basic Riemann-Hilbert problem, we have $\begin{split}q(x,t)=&2im(x,t)_{12}=2ie^{2ig(\infty,\xi)}m^{(1)}(x,t)_{12}\\\ =&2ie^{2ig(\infty,\xi)}m^{(2)}(x,t)_{12}+O(t^{-\frac{1}{2}})\\\ =&2ie^{2ig(\infty,\xi)}m^{(3)}(x,t)_{12}+O(t^{-\frac{1}{2}})\\\ =&2ie^{2ig(\infty,\xi)}m^{(4)}(x,t)_{12}F^{-2}(\infty,\xi)+O(t^{-\frac{1}{2}})\\\ =&2ie^{2ig(\infty,\xi)}m^{mod}(x,t)_{12}F^{-2}(\infty,\xi)+O(t^{-\frac{1}{2}}).\end{split}$ (4.34) Taking into account that $g(\infty,\xi)=\omega t-4Bx$, $2im^{mod}(x,t)_{12}=A$ and $F^{-2}(\infty,\xi)=e^{-2i\phi(\xi)}$we arrive at the following theorem: ###### Theorem 4.2. (Plane wave region) In the region $x<-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})$,the asymptotics, as $t\rightarrow+\infty$, of the solution $q(x,t)$ of the initial value problem (1.6) takes the form of a plane wave: $q(x,t)=Ae^{2i(\omega t-Bx-\phi(\xi))}+O(t^{-\frac{1}{2}}),\qquad t\rightarrow+\infty.$ (4.35) ###### Remark 4.3. If we let $\xi\rightarrow+\infty$, then $\mu_{+}\rightarrow+\infty$, then $\phi(\xi)\rightarrow\phi$, with $\phi=\frac{1}{2\pi}\int_{\gamma_{g}\cup\bar{\gamma}_{g}}\frac{\log{\sqrt{\lambda}}}{X_{+}(\lambda)}d\lambda$, and then the above equation (4.61) reduce to $q(x,t)=Ae^{2i(\omega t-Bx-\phi)}$, this is correspondence to our initial condition up to a phase shift. ### 4.3. The elliptic region:$-4t(B+\sqrt{2}D)<x<-4tB$ For the limit case $\xi_{0}=-(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})$, we have $\mu_{+}(\xi_{0})=\mu_{-}(\xi_{0})$, see Figure 7, whereas for $\xi>-(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})$, $\mu_{+}$ and $\mu_{-}$ become non-real, complex conjugated numbers. As a result, the $g$-function mechanism with $g(\lambda;\xi)$ as in the plane wave region fails. This shows that there is a break in the qualitative picture of the asymptotic behavior at $\xi=\xi_{0}$. #### 4.3.1. The new $g$-function A suitable $g$-function for $\xi>-(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})$ can be obtained as follows. First, we need to introduce a new real stationary point $\mu(\xi)$ which must be a zero of the new differential $d\hat{g}$. On the other hand we have to preserve the asymptotic behavior of the $g$-function for large $\lambda$. To do so we must change the denominator of the differential $d\hat{g}$. Thus the new differential takes the form: $d\hat{g}(\lambda,\xi)=4\frac{(\lambda-\mu(\xi))(\lambda-\mu_{-}(\xi))(\lambda-\mu_{+}(\xi))}{\sqrt{(\lambda-E)(\lambda-\bar{E})(\lambda-d(\xi))(\lambda-\bar{d}(\xi))}}d\lambda,$ (4.36) where $\mu(\xi),\mu_{\pm}(\xi)$, and $d(\xi),\bar{d}(\xi)$ are to be determined. If $\mu=d=\bar{d}$, then the new differential coincides with the previous one, that is $dg=d\hat{g}$, which is expected to hold for the value $\xi_{0}$ of $\xi$ limiting the two adjacent asymptotic regions. Now we consider $d\hat{g}$ as an Abelian differential of the second kind with poles at $\infty_{\pm}$ on the Riemann-Hilbert surface of $\omega(\lambda)=\sqrt{(\lambda-E)(\lambda-\bar{E})(\lambda-d(\xi))(\lambda-\bar{d}(\xi))},$ with $E=B+iD,\quad d(\xi)=d_{1}(\xi)+id_{2}(\xi)$ The branch of the square root is fixed by the asymptotics on the upper sheet: $\omega(\lambda)=\lambda^{2}+O(\lambda),\qquad\lambda\rightarrow\infty_{+}.$ We choose on this Riemann surface a basis $\\{a,b\\}$ of cycles as follows. The $b$-cycle is a closed clock-wise oriented simple loop around the arc $\gamma_{E,d}$ joining $E$ and $d$. The $a$-cycle starts on the upper sheet from the left side of the cut $\gamma_{E,d}$, goes to the left side of the cut $\gamma_{\bar{d},\bar{E}}$, proceeds to the lower sheet, and then returns to the starting point. We can also write the Abelian differential $d\hat{g}(\lambda)$ in the form: $d\hat{g}(\lambda)=4\frac{\lambda^{3}+c_{2}\lambda^{2}+c_{1}\lambda+c_{0}}{\omega(\lambda)}d\lambda,$ (4.37) and normalize it so that its $a-$period vanishes. This determines $c_{0}$: $c_{0}=-\frac{\int_{\bar{d}}^{d}(\lambda^{3}+c_{2}\lambda^{2}+c_{1}\lambda)\frac{d\lambda}{\omega(\lambda)}}{\int_{\bar{d}}^{d}\frac{d\lambda}{\omega(\lambda)}}\in{\mathbb{R}}.$ We also require that $\hat{g}(\lambda)$ has the same large-$\lambda$ behavior as the original phase function $\theta(\lambda)$: $\hat{g}(\lambda)=2\lambda^{2}t+4\lambda x+O(1),\qquad\lambda\rightarrow\infty_{+}.$ This condition implies $c_{1}=(B-\xi)d_{1}-B\xi+\frac{1}{2}(d_{2}^{2}+D^{2}),$ $c_{2}=\xi-B-d_{1},$ Define $\hat{g}(\lambda)$ as the sum of two Abelian integrals: $\hat{g}(\lambda,\xi)=2(\int_{E}^{\lambda}+\int_{\bar{E}}^{\lambda})\frac{\lambda^{3}+c_{2}\lambda^{2}+c_{1}\lambda+c_{0}}{\omega(\lambda)}d\lambda.$ (4.38) Then it evidently has real $b-$period $B_{\hat{g}}=2(\int_{E}^{d}+\int_{\bar{E}}^{\bar{d}})\frac{\lambda^{3}+c_{2}\lambda^{2}+c_{1}\lambda+c_{0}}{\omega(\lambda)}d\lambda.$ (4.39) Now notice that $\hat{g}(\lambda)$ can be written as a single Abelian integral $\hat{g}(\lambda)=4\int_{E}^{k}\frac{\lambda^{3}+c_{2}\lambda^{2}+c_{1}\lambda+c_{0}}{\omega(\lambda)}d\lambda$ and indeed $B_{\hat{g}}=\int_{b}d\hat{g}.$ The large-$\lambda$ asymptotics of $\hat{g}(\lambda,\xi)$ can now be specified as $\hat{g}(\lambda,\xi)=2\lambda^{2}t+4\xi\lambda t+\hat{g}(\infty,\xi)+O(\lambda^{-1}).$ where $\hat{g}(\infty,\xi)=t(2(\int_{E}^{\infty}+\int_{\bar{E}}^{\infty})[\frac{\lambda^{3}+c_{2}\lambda^{2}+c_{1}\lambda+c_{0}}{\omega(\lambda)}-(\lambda+\xi)]d\lambda+2D^{2}-2B^{2}-4B\xi)$ (4.40) is a real function of $\xi$. ###### Remark 4.4. For $\xi=-B$, if we set $\mu(-B)=d_{1}(-B)=B$ and $d_{2}(-B)=D$, that is, $d(-B)=E$ and $\bar{d}(-B)=\bar{E}$, then $\hat{g}(\lambda,-B)$ coincide(up to a constant) with $\theta(\lambda,-B)$: $\hat{g}(\lambda,-B)=\theta(\lambda,-B)+2|E|^{2}.$ which provides matching at the interface with the Zakharov-Manakov region. In order to define $\mu,\mu_{\pm}$ and $d$ as functions of $\xi$, let us compare the forms (4.36) and (4.37) of the differential $d\hat{g}$. This gives $(\mu_{\pm}=\mu_{1}\pm i\mu_{2}):$ $\begin{array}[]{l}\mu+2\mu_{1}-d_{1}=B-\xi,\\\ 2\mu\mu_{1}+\mu_{1}^{2}+\mu_{2}^{2}+(\xi-B)d_{1}-\frac{1}{2}d_{2}^{2}=\frac{1}{2}D^{2}-B\xi,\\\ \mu(\mu_{1}^{2}+\mu_{2}^{2})=-c_{0}(\xi,d_{1},d_{2}).\end{array}$ The local expansion of $\hat{g}(\lambda)$ at $\lambda=d$ is of the form $\hat{g}(\lambda)=B_{\hat{g}}+g_{1}(\lambda-d)^{1/2}+g_{2}(\lambda-d)^{3/2}+\cdots,$ where $B_{\hat{g}}$ is real. The signature table for $\mathrm{Im}\hat{g}(\lambda)$ must have three branches of the curve $\mathrm{Im}\hat{g}(\lambda)=0$ going out from the point $d$, see Figure 6. Indeed: * • Since $\hat{g}(E)=0$, one branch should connect $d$ with $E$. * • There should exist a branch separating the basins of $+$ and $-$ near the real axis. * • Since $\hat{g}(\lambda)$ behaves like $\theta(\lambda)$ for large $\lambda$, there should be an infinite branch going to infinity along the asymptotic line $\mathrm{Re}\lambda=-\xi$. Figure 6. The curves of $\mathrm{Im}\hat{g}(\lambda)=0$ for $-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})<x<-4tB$. Therefore, we arrive at the requirement $g_{1}=0$, that is $(\lambda-d)^{1/2}\hat{g}^{\prime}(\lambda)|_{\lambda=d}=4\frac{(d-\mu(\xi))(d-\mu_{-}(\xi))(d-\mu_{+}(\xi))}{\sqrt{(\lambda-E)(\lambda-\bar{E})(d-\bar{d})}}=0$ The fact that $\mu$ is real implies that $\mu_{+}=d$ and $\mu_{-}=\bar{d}$, which finally leads to the following ansatz for $d\hat{g}(\lambda)$: $d\hat{g}(\lambda)=4(\lambda-\mu(\xi))\sqrt{\frac{(\lambda-d(\xi))(\lambda-\bar{d}(\xi))}{(\lambda-E)(\lambda-\bar{E})}}d\lambda,$ where $\mu(\xi),d_{1}(\xi)$ and $d_{2}(\xi)$ ($d=d_{1}+id_{2},d_{2}\geq 0$) satisfy the equations: $\mu=B-\xi-d_{1},$ (4.41a) $d_{2}^{2}=D^{2}-2(B-\mu)(B-d_{1}),$ (4.41b) $\int_{B-iD}^{B+iD}\sqrt{\frac{(\lambda- d_{1})^{2}+d_{2}^{2}}{(\lambda-B)^{2}+D^{2}}}(\lambda-\mu)d\lambda=0.$ (4.41c) Recall that (4.41a) and (4.41b) follow from the requirement that $d\hat{g}(\lambda)=(4\lambda+4\xi+O(\lambda^{-2}))d\lambda,\qquad\mbox{as }\lambda\rightarrow\infty.$ while (4.41c) is the normalization condition $\int_{\bar{E}}^{E}d\hat{g}(\lambda)=0$. Substituting (4.41a) and (4.41b) into (4.41c) yields an equation relating implicitly $d_{1}$ and $\xi$. In terms of the variables $u$ and $v$, where $u=\frac{B-d_{1}}{D},\qquad v=\frac{\xi+B}{2D}.$ this equation reads $\mathcal{F}(u,v)=\int_{-1}^{1}\sqrt{\frac{(i\tau+1)^{2}+1-4uv+2u^{2}}{1-\tau^{2}}}(i\tau+2v-u)d\tau=0.$ (4.42) which is considered for $0\leq v\leq\frac{\sqrt{2}}{2}$ and $u\geq 0$. It is easy to check that $\mathcal{F}(0,v)=4v$(and thus $\mathcal{F}(0,v)>0$ for $v>0$), $\mathcal{F}(+\infty,v)<0,\mathcal{F}(0,0)=\mathcal{F}(\frac{\sqrt{2}}{2},\frac{\sqrt{2}}{2})=0$ and $\mathcal{F}_{u}(u,v)<0$ for $(u,v)\neq(\frac{\sqrt{2}}{2},\frac{\sqrt{2}}{2})$. Therefore, (4.42) determines a unique function $u=u(v),v\in[0,\frac{\sqrt{2}}{2}]$ such that $u(0)=0$ and $u(\frac{\sqrt{2}}{2})=\frac{\sqrt{2}}{2}$. Consequently, we have that the system (4.41) determines uniquely $d_{1}(\xi),d_{2}(\xi)$ and $\mu(\xi)$, such that $d_{1}(-B-\sqrt{2}D)=B+\sqrt{2}D$ and $d_{1}(-B)=B$. We have now specified a $g-$function $\hat{g}(\lambda)$ whose signature table is as in Figure 8. Hence, we can begin deforming the basic Riemann-Hilbert problem. #### 4.3.2. The first deformation We deform the part $\gamma\cup\bar{\gamma}$ of the contour of the basic Riemann-Hilbert problem into a contour $\gamma_{E,\bar{E}}$ connecting $E$ and $\bar{E}$ in such a way that it contains: 1. (i) Two arcs $\gamma_{d}$ and $\bar{\gamma}_{d}$ connecting, respectively, $E$ with $d$ and $\bar{d}$ and $\bar{E}$, and where $\mathrm{Im}\hat{g}(\lambda)=0$; 2. (ii) An arc $\gamma_{\mu}$ connecting $d$ and $\bar{d}$, passing through $\mu$, and along which $\mathrm{Im}\hat{g}(\lambda)<0$ for $\mathrm{Im}\lambda<0$ and $\mathrm{Im}\hat{g}(\lambda)>0$ for $\mathrm{Im}\lambda>0$. Figure 7. The contour $\Sigma^{(3)}=L_{1}\cup L_{2}\cup L_{3}\cup L_{4}\cup\gamma_{d}\cup\bar{\gamma}_{d}\cup\gamma_{\mu}\cup\bar{\gamma}_{\mu}$ for $-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})<x<-4tB$. Supplying $\gamma_{E,\bar{E}}=\gamma_{\mu}\cup\gamma_{d}\cup\bar{\gamma}_{d}$ with the orientation as going from $E$ to $\bar{E}$, we fix the branch of $\hat{g}(\lambda)$ as having a jump across $\gamma_{E,\bar{E}}$: $\begin{array}[]{ll}\hat{g}(\lambda)_{+}+\hat{g}(\lambda)_{-}=0,&\qquad\lambda\in\gamma_{d}\cup\bar{\gamma}_{d};\\\ \hat{g}(\lambda)_{+}-\hat{g}(\lambda)_{-}=B_{\hat{g}},&\qquad\lambda\in\gamma_{\mu},\\\ \mbox{with $\mathrm{Im}B_{\hat{g}}=0$}&\end{array}$ #### 4.3.3. The second transformation The further series of transformations $N(x,t,\lambda)\leadsto N^{(1)}(x,t,\lambda)\leadsto N^{(2)}(x,t,\lambda)\leadsto N^{(3)}(x,t,\lambda)$ is similar to that for the plane wave region but 1. (i) with $g(\lambda)$ replaced by $\hat{g}(\lambda)$, 2. (ii) with $\mu$, which is the real stationary point of $\hat{g}(\lambda)$ instead of $\mu_{+}$, 3. (iii) with the partition into domains with boundaries $L$ as shown in Figure 7. The jump matrix $J_{N}^{(3)}(x,t,\lambda)$ is as follows: * • For $\lambda\in L_{j}$ at a fixed positive distance from the stationary point $\lambda=\mu(\xi)$, $J_{N}^{(3)}(x,t,\lambda)=\mathbb{I}+O(e^{-\varepsilon t})\mbox{ as }t\rightarrow+\infty.$ * • For $\lambda\in\gamma_{\mu}$ we have $J_{N}^{(3)}(x,t,\lambda)=\left\\{\begin{array}[]{lc}\left(\begin{array}[]{cc}e^{-itB_{\hat{g}}}&0\\\ \lambda f(\lambda)\delta^{-2}(\lambda)e^{it(\hat{g}_{+}(\lambda)+\hat{g}_{-}(\lambda))}&e^{itB_{\hat{g}}}\end{array}\right),&\quad\mathrm{Im}\lambda>0,\\\ \left(\begin{array}[]{cc}e^{-itB_{\hat{g}}}&f(\lambda)\delta^{2}(\lambda)e^{-it(\hat{g}_{+}(\lambda)+\hat{g}_{-}(\lambda))}\\\ 0&e^{itB_{\hat{g}}}\end{array}\right),&\quad\mathrm{Im}\lambda<0,\end{array}\right.$ (4.43) Thus, away from $d$,$\mu$ and $\bar{d}$ and as $t\rightarrow+\infty$, $J_{N}^{(3)}(x,t,\lambda)$ is close to a diagonal matrix: $J_{N}^{(3)}(x,t,\lambda)=\left(\begin{array}[]{cc}e^{-itB_{\hat{g}}}&0\\\ 0&e^{itB_{\hat{g}}}\end{array}\right)+O(e^{-\varepsilon t}),\qquad t\rightarrow+\infty.$ (4.44) * • For $\lambda\in\gamma_{d}\cup\bar{\gamma}_{d}$, similarly to the plane wave region, $J_{N}^{(3)}(x,t,\lambda)$ reduces to $J_{N}^{(3)}(x,t,\lambda)=\left\\{\begin{array}[]{lc}\left(\begin{array}[]{cc}0&-f^{-1}(\lambda)\delta^{2}(\lambda)\\\ \lambda f(\lambda)\delta^{-2}(\lambda)&0\end{array}\right),&\qquad\lambda\in\gamma_{d},\\\ \left(\begin{array}[]{cc}0&f(\lambda)\delta^{2}(\lambda)\\\ -\lambda f^{-1}(\lambda)\delta^{-2}(\lambda)&0\end{array}\right),&\qquad\lambda\in\bar{\gamma}_{d},\end{array}\right.$ (4.45) In order to arrive at a Riemann-Hilbert problem with a jump matrix independent of $\lambda$, we proceed as in the plane wave region. Scalar Riemann-Hilbert problem. We are looking for a scalar function $F(\lambda)$ analytic in ${\mathbb{C}}\backslash\gamma_{d}\cup\bar{\gamma}_{d}$ such that $F_{-}(\lambda)F_{+}(\lambda)=h(\lambda)\sqrt{\lambda}\delta^{-2}(\lambda),\qquad\lambda\in\gamma_{d}\cup\bar{\gamma}_{d},$ (4.46) where $h(\lambda)=\left\\{\begin{array}[]{lc}-i\sqrt{\lambda}f(\lambda),&\qquad\lambda\in\gamma_{g},\\\ i\sqrt{\lambda}^{-1}f^{-1}(k),&\qquad\lambda\in\bar{\gamma}_{g}.\end{array}\right.$ (4.47) After solving this scalar problem, $J_{N}^{(3)}(x,t,\lambda)$ can be factorized as in (4.25). This factorization allows absorbing the diagonal factors into a new Riemann-Hilbert problem with constant jump matrix on $\gamma_{d}\cup\bar{\gamma}_{d}$. However, an important difference with the plane wave region is that now the jump conditions (4.46) for $F(\lambda)$ are specified on two disjoint arcs. This implies that in order to arrive at a jump condition in additive form, we are led to use $\omega(\lambda)=\sqrt{(\lambda-E)(\lambda-\bar{E})(\lambda-d(\xi))(\lambda-\bar{d}(\xi))}$ Indeed, (4.46) can be rewritten as $[\frac{\log{F(\lambda)}}{\omega(\lambda)}]_{+}-[\frac{\log{F(\lambda)}}{\omega(\lambda)}]_{-}=\frac{\log{h(\lambda)}}{\omega_{+}(\lambda)},\quad\lambda\in\gamma_{d}\cup\bar{\gamma}_{d},$ (4.48) and thus for $F(\lambda)$, we have $F(\lambda)=\exp\\{\frac{\omega(\lambda)}{2\pi i}\int_{\gamma_{d}\cup\bar{\gamma}_{d}}\frac{\log{h(s)}}{\omega_{+}(s)}\frac{ds}{s-\lambda}\\}$ (4.49) But now $F(\lambda)$ has an essential singularity at infinity: $F(\lambda)=F_{\infty}e^{i\Delta\lambda}(1+O(\lambda^{-1})),\qquad\lambda\rightarrow\infty.$ where $\Delta=\Delta(\xi)=\frac{1}{2\pi}\int_{\gamma_{d}\cup\bar{\gamma}_{d}}\frac{\log{h(\lambda)}}{\omega_{+}(\lambda)}d\lambda.$ (4.50) and $F_{\infty}(\xi)=\exp\\{\frac{i}{2\pi}\int_{\gamma_{d}\cup\bar{\gamma}_{d}}(s-e_{1})\frac{\log{h(s)}}{\omega_{+}(s)}ds\\}$ with $e_{1}=\frac{E+\bar{E}+d+\bar{d}}{2}.$ (4.51) To account for this singularity, let us introduce the normalized, that is, its $a-$period vanishes, Abelian integral $w(\lambda)$ of the second kind with simple poles at $\infty_{\pm}$: $w(\lambda)=\int_{E}^{\lambda}\frac{z^{2}-e_{1}z+e_{0}}{\omega_{(}z)}dz,$ where $e_{1}$ is the same as in (4.51) and $e_{0}$ is determined by the condition $\int_{a}dw(\lambda)=0$: $e_{0}=-\frac{\int_{d}^{\bar{d}}(z^{2}-e_{1}z+e_{0})\frac{dz}{\omega_{(}z)}}{\int_{d}^{\bar{d}}\frac{dz}{\omega_{(}z)}}.$ The large-$\lambda$ expansion of $w(\lambda)$ is of the form $w(\lambda)=\lambda+w_{\infty}(\xi)+O(\lambda^{-1}),\qquad\lambda\rightarrow\infty,$ where $\begin{split}w_{\infty}&=\int_{E}^{\infty}[\frac{z^{2}-e_{1}z+e_{0}}{\omega_{(}z)}-1]dz-E\\\ &=\frac{1}{2}(\int_{E}^{\infty}+\int_{\bar{E}}^{\infty})[\frac{z^{2}-e_{1}z+e_{0}}{\omega_{(}z)}-1]dz-B\end{split}$ (4.52) The jump conditions for $w(\lambda)$ are as follows: $\begin{split}w_{+}(\lambda)+w_{-}(\lambda)=0,&\qquad\lambda\in\gamma_{d}\cup\bar{\gamma}_{d},\\\ w_{+}(\lambda)-w_{-}(\lambda)=B_{w},&\qquad\lambda\in\gamma_{\mu}.\end{split}$ Here $B_{w}$ is the $b-$period of $w(\lambda)$: $B_{w}=\int_{b}dw=2\int_{E}^{d}\frac{z^{2}-e_{1}z+e_{0}}{\omega_{(}z)}dz=(\int_{E}^{d}+\int_{\bar{E}}^{\bar{d}})\frac{z^{2}-e_{1}z+e_{0}}{\omega_{(}z)}dz\in{\mathbb{R}}.$ (4.53) Now introduce $\hat{F}(\lambda)=F(\lambda)e^{-i\Delta w(\lambda)},$ (4.54) This new function is clearly bounded at $\lambda=\infty$: $\hat{F}(\infty,\xi)=e^{i\hat{\phi}(\xi)}.$ (4.55) with $\hat{\phi}(\xi)=\frac{1}{2\pi}\int_{\gamma_{d}\cup\bar{\gamma}_{d}}(s-e_{1})\log{[h(s)\delta^{-2}(s,\xi)]}\frac{ds}{\omega_{+}(s)}-\Delta(\xi)w_{\infty}(\xi).$ Also, $\hat{F}(\lambda)$ has the same jumps as $F(\lambda)$ across $\gamma_{d}$ and $\bar{\gamma}_{d}$. On the other hand, the price for introducing the exponential factor in (4.54) is that $\hat{F}(\lambda)$ has a jump across $\gamma_{\mu}$: $\frac{\hat{F}_{+}(\lambda)}{\hat{F}_{-}(\lambda)}=e^{-i\Delta B_{w}},\qquad\lambda\in\gamma_{\mu}.$ Now we can absorb $\hat{F}(\lambda)$ into the Riemann-Hilbert problem for $N^{(4)}(x,t,\lambda)$: $N^{(4)}(x,t,\lambda)=\hat{F}^{\sigma_{3}}(\infty)N^{(3)}(x,t,\lambda)\hat{F}^{-\sigma_{3}}(\lambda),$ which leads to the jump conditions $N^{(4)}_{+}(x,t,\lambda)=N^{(4)}_{-}(x,t,\lambda)J_{N}^{(4)}(x,t,\lambda),$ where $J_{N}^{(4)}(x,t,\lambda)=\left\\{\begin{array}[]{ll}J_{N}^{mod}+O(e^{-\varepsilon t}),&\quad\lambda\in\gamma_{d}\cup\bar{\gamma}_{d}\cup\gamma_{\mu},\\\ \mathbb{I}+O(e^{-\varepsilon t}),&\quad\lambda\in L\cup\bar{L}.\end{array}\right.$ with $J_{N}^{(mod)}=\left\\{\begin{array}[]{ll}\left(\begin{array}[]{cc}0&1\\\ 1&0\end{array}\right),&\quad\lambda\in\gamma_{d}\cup\bar{\gamma}_{d},\\\ \left(\begin{array}[]{cc}e^{-itB_{\hat{g}}-i\Delta B_{w}}&0\\\ 0&e^{itB_{\hat{g}}+i\Delta B_{w}}\end{array}\right),&\quad\lambda\in\gamma_{\mu},\end{array}\right.$ (4.56) #### 4.3.4. The model problem Thus, we arrive at the model Riemann-Hilbert problem: $N^{mod}_{+}(x,t,\lambda)=N^{mod}_{-}(x,t,\lambda)J_{N}^{mod}(x,t,\lambda),\qquad\lambda\in\gamma_{d}\cup\bar{\gamma}_{d}\cup\gamma_{\mu},$ (4.57a) $N^{mod}(x,t,\lambda)=\mathbb{I}+O(\frac{1}{\lambda}),\qquad\lambda\rightarrow\infty.$ (4.57b) The solution of this model Riemann-Hilbert problem approximates $N^{(4)}(x,t,\lambda)$: $N^{(4)}(x,t,\lambda)=(\mathbb{I}+O(t^{-\frac{1}{2}}))N^{mod}(x,t,\lambda),$ (4.58) The model problem (4.57) can be solved in terms of elliptic theta functions. Let $U(\lambda)=\frac{1}{c}\int_{E}^{\lambda}\frac{dz}{\omega(z)}$ be the normalized Abelian integral, that is $c=2\int_{\bar{d}}^{d}\frac{dz}{\omega(z)}$ Then, define $\tau=\tau(\xi)=\frac{2}{c}\int_{E}^{d}\frac{dz}{\omega(z)}$ (4.59) with $\mathrm{Im}\tau>0$. Furthermore, the following relations are valid: $\begin{split}\begin{array}[]{ll}U_{+}(\lambda)+U_{-}(\lambda)=0,&\quad\lambda\in\gamma_{d},\\\ U_{+}(\lambda)+U_{-}(\lambda)=-1,&\quad\lambda\in\bar{\gamma}_{d},\\\ U_{+}(\lambda)-U_{-}(\lambda)=\tau,&\quad\lambda\in\gamma_{\mu},\end{array}\end{split}$ (4.60) Next, define $\nu(\lambda)=(\frac{(\lambda-E)(\lambda-d)}{(\lambda-\bar{E})(\lambda-\bar{d})})^{\frac{1}{4}},$ where the branch is fixed by specifying the branch cut $\gamma_{E,\bar{E}}$ and the behavior as $\lambda\rightarrow\infty$; $\nu(\lambda)=1+\frac{D+d_{2}}{2i\lambda}+O(\lambda^{-2}),\qquad\lambda\rightarrow\infty.$ Along the cut,we have $\nu_{+}(\lambda)=\left\\{\begin{array}[]{ll}-i\nu_{-}(\lambda),&\quad\lambda\in\gamma_{d}\cup\bar{\gamma}_{d},\\\ -\nu_{-}(\lambda),&\quad\lambda\in\gamma_{\mu}.\end{array}\right.$ Finally, introduce the theta function $\theta_{3}(z)=\sum_{m\in{\mathbb{Z}}}e^{\pi i\tau m^{2}+2\pi imz},$ and define the $2\times 2$ matrix-value function $\Theta(\lambda)=\Theta(t,\xi,\lambda)$ with entries: $\begin{array}[]{c}\Theta_{11}(\lambda)=\frac{1}{2}[\nu(\lambda)+\frac{1}{\nu(\lambda)}]\frac{\theta_{3}[U(\lambda)-U_{0}-\frac{1}{2}-\frac{B_{\hat{g}}t}{2\pi}-\frac{B_{w}\Delta}{2\pi}]}{\theta_{3}[U(\lambda)-U_{0}]},\\\ \Theta_{12}(\lambda)=\frac{1}{2}[\nu(\lambda)-\frac{1}{\nu(\lambda)}]\frac{\theta_{3}[U(\lambda)+U_{0}+\frac{1}{2}+\frac{B_{\hat{g}}t}{2\pi}+\frac{B_{w}\Delta}{2\pi}]}{\theta_{3}[U(\lambda)+U_{0}]},\\\ \Theta_{21}(\lambda)=\frac{1}{2}[\nu(\lambda)-\frac{1}{\nu(\lambda)}]\frac{\theta_{3}[U(\lambda)+U_{0}-\frac{1}{2}-\frac{B_{\hat{g}}t}{2\pi}-\frac{B_{w}\Delta}{2\pi}]}{\theta_{3}[U(\lambda)+U_{0}]},\\\ \Theta_{22}(\lambda)=\frac{1}{2}[\nu(\lambda)+\frac{1}{\nu(\lambda)}]\frac{\theta_{3}[U(\lambda)-U_{0}+\frac{1}{2}+\frac{B_{\hat{g}}t}{2\pi}+\frac{B_{w}\Delta}{2\pi}]}{\theta_{3}[U(\lambda)-U_{0}]},\end{array}$ where $U_{0}$ is to be chosen so that the unique zero of $\theta_{3}(U(\lambda)-U_{0})$, as a function on the Riemann surface, lying on the first sheet is compensated by the zero of $\nu(\lambda)+\frac{1}{\nu(\lambda)}$ where $\theta_{3}(U(\lambda)+U_{0})$ has no zero on this sheet. Setting $U_{0}=U(E_{0})+\frac{1}{2}+\frac{\tau}{2},$ where $E_{0}=\frac{Ed-\bar{E}\bar{d}}{E-\bar{E}+d-\bar{d}}$ satisfies this requirement, and thus $\Theta(\lambda)$ can be viewed as a function analytic in ${\mathbb{C}}\backslash\gamma_{E,\bar{E}}$. On the other hand, due to the properties of theta function: $\theta_{3}(-z)=\theta_{3}(z),\quad\theta_{3}(z+1)=\theta_{3}(z),\quad\theta_{3}(z\pm\tau)=e^{-\pi i\tau\mp 2\pi iz}\theta_{3}(z)$ $\Theta(\lambda)$ satisfies the jump conditions (4.57a)-(4.56) of the model Riemann-Hilbert problem. Taking into account the normalization condition (4.57b), the solution of the model Riemann-Hilbert problem is given by $N^{mod}(x,t,\lambda)=\Theta^{-1}(t,\xi,\infty)\Theta(t,\xi,\lambda).$ #### 4.3.5. Back to the original problem Now, following the sequence of equations of type (4.34) (with $g$ and $F$ replaced, respectively, by $\hat{g}$ and $\hat{F}$) and taking into account the equations $\hat{g}$ and $\hat{F}$, and the explicit formula for $n^{mod}_{12}(x,t,\lambda)$ $2in^{mod}_{12}(x,t,\lambda)=[D+d_{2}]\frac{\theta_{3}[\frac{B_{\hat{g}}t}{2\pi}+\frac{B_{w}\Delta}{2\pi}+U_{0}+\frac{1}{2}+U(\infty)]}{\theta_{3}[\frac{B_{\hat{g}}t}{2\pi}+\frac{B_{w}\Delta}{2\pi}+U_{0}+\frac{1}{2}-U(\infty)]}\frac{\theta_{3}[U_{0}-U(\infty)]}{\theta_{3}[U_{0}+U(\infty)]}$ and $\hat{F}^{-2}(\infty)=e^{-2i\hat{\phi}(\xi)}$, we obtain the asymptotics in the region $-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})<x<-4tB$. ###### Theorem 4.5. (Elliptic wave region) In the region $-4t(B+\sqrt{2A^{2}(B+\frac{A^{2}}{4})})<x<-4tB$,the asymptotics, as $t\rightarrow+\infty$, of the solution $q(x,t)$ of the initial value problem (1.6) takes the form of a modulated elliptic wave: $q(x,t)=[D+\mathrm{Im}d(\xi)]\frac{\theta_{3}[\frac{B_{\hat{g}}t}{2\pi}+\frac{B_{w}\Delta}{2\pi}+V_{+}(\xi)]}{\theta_{3}[\frac{B_{\hat{g}}t}{2\pi}+\frac{B_{w}\Delta}{2\pi}+V_{-}(\xi)]}\frac{\theta_{3}[V_{-}(\xi)-\frac{1}{2}]}{\theta_{3}[V_{+}(\xi)-\frac{1}{2}]}+O(t^{-\frac{1}{2}}),t\rightarrow+\infty.$ (4.61) Here $B_{\hat{g}},B_{w}$ and $\Delta$ are functions of the variable $\xi=\frac{x}{4t}$ defined, respectively, by (4.39), (4.53) and (4.50), and $V_{\pm}(\xi)=U_{0}+\frac{1}{2}\pm U(\infty)$. Furthermore, $\theta_{3}(z)=\sum_{z\in{\mathbb{Z}}}e^{\pi i\tau m^{2}+2\pi imz}$ is the theta function of invariant $\tau=\tau(\xi)$ defined in (4.59), $\hat{g}(\infty,\xi)=t(2(\int_{E}^{\infty}+\int_{\bar{E}}^{\infty})[(z-\mu(\xi))\sqrt{\frac{(z-d(\xi))(z-\bar{d}(\xi))}{(z-E)(z-\bar{E})}}-(z+\xi)]dz+2D^{2}-2B^{2}-4B\xi)$ and the phase shift $\phi(\xi)$ is given by $\phi(\xi)=\frac{1}{2\pi}\int_{\gamma_{d}\cup\gamma_{\bar{d}}}\frac{[s-e_{1}(\xi)-\omega_{\infty}(\xi)]\log[h(s)\sqrt{s}\delta^{-2}(s,\xi)]}{[(s-E)(s-\bar{E})(s-d(\xi))(s-\bar{d}(\xi))]^{1/2}}ds$ where $\begin{array}[]{l}h(\lambda)=\left\\{\begin{array}[]{ll}a_{+}^{-1}(\lambda)a_{-}^{-1}(\lambda),&\lambda\in\gamma_{d}\\\ a_{+}(\lambda)a_{-}(\lambda),&\lambda\in\gamma_{\bar{d}}\end{array}\right.\\\ \delta(\lambda,\xi)=\exp\\{\frac{1}{2\pi i}\int_{-\infty}^{\mu(\xi)}\frac{\log(1+\lambda\rho^{2}(\lambda))}{s-\lambda}ds\\}.\end{array}$ and $e_{1}(\xi),\omega_{\infty}$ and $\mu(\xi)$ are defined, respectively, by (4.51), (4.52) and (4.41). 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Lax, Integrals of nonlinear equations of evolution and solitary waves, Communications on Pure and Applied Mathematics 21(1968), 467-490. * [16] A.V.Gurevich, and L.P.Pitaevskii, Nonstationary structure of a collisionless shock wave., Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki,Pis’ma v Redaktsiyu, 65(1973),590-604. * [17] $\bar{E}$.Ya.Khruslov, Asymptotic behavior of the solution of the Cauchy problem for the Korteweg-de Vries equation with steplike initial data., Matematicheskii Sbornik, 99(141),no.2(1976),261-281,296. * [18] V.P.Kotlyarov, and $\bar{E}$.Ya.Khruslov, Solitons of the nonlinear Schrödinger equation,which are generated by the continuous spectrum., Teoreticheskaya i Matematicheskaya Fizika 68,no.2(1986),172-186. * [19] S.Venakides, Long time asymptotics of the Korteweg-de Vries equation., Transactions of the American Mathematical Society 293,no.1(1986),411-419. * [20] G.B.Whitham, Linear and Nonlinear Waves., Pure and Applied Mathematics.New York,Wiley-Interscience[Wiley],1974. * [21] R.F.Bikbaev, Saturation of modulational instability via complex Whitham deformations:nonlinear Schrödinger equation., Zapiski Nauchnykh Seminarov(POMI)215(1994),65-76. * [22] R.F.Bikbaev, Complex Whitham deformations in problems with ”integrable instability”., Teoreticheskaya i Matematicheskaya Fizika 104,no.3(1995),393-419. * [23] V.Yu.Novokshenov, Time asymptotics for soliton equations in problems with step initial conditions., Sovremennaya Matematika i Ee Prilozheniya,Asimptoticheskie Metody Funktsional’nogo Analiza 5(2003),138-168. * [24] S.V.Manakov, Nonlinear Fraunhofer diffraction., Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki,Pis’ma v Redaktsiyu 65(1973),1392-1398. * [25] A.R.Its, Asymptotic behavior of the solution to the nonlinear Schrödinger equation,and isomonodromic deformations of systems of linear differential equations., Doklady Akademii Nauk SSSR 261,no.1(1981),14-18. * [26] P.Deift, S.Venakides, and X.Zhou, The collisionless shock region for the long-time behavior of solutions of the KdV equation., Communications on Pure and Applied Mathematics 47,no.2(1994),199-206. * [27] P.Deift, S.Venakides, and X.Zhou, New results in small dispersion KdV by an extension of the steepest descent method for Riemann-hilbert problems., International mathematics Research Notices 1997,no.6(1997),286-299. * [28] R.Buckingham, and S.Venakides, Long-time asymptotics of the nonlinear Schrödinger equation shock problem., Communications on Pure and Applied Mathematics 60,no.9(2007),1349-1414. * [29] A.Boutet de Monvel, A.R.Its, and V.P.Kotlyarov, Long-time asymptotics for the focusing NLS equation with time-periodic boundary condition on the half-line., Communications in Mathematics Physics290,no.2(2009),479-522. * [30] A.Boutet de Monvel, and V.P.Kotlyarov, The focusing nonlinear Schrödinger equation on the quarter plane with time-periodic boundary condition:a Riemann-Hilbert approach., Journal of the Institute of Mathematics of Jussieu 6,no.4(2007),579-611. * [31] A.Boutet de Monvel, V.P.Kotlyarov, and D.Shepelsky, Decaying long-time asymptotics for the focusing NLS equation with periodic boundary condition., International mathematics Research Notices 2009,no.3(2009),547-577. * [32] A.Boutet de Monvel, V.P.Kotlyarov, and D.Shepelsky, Focusing NLS equation:Long-time dynamics of step-like initial data., International mathematics Research Notices 2011,no.7(2011),1613-1653. * [33] V.Kotlyarov and A.Minakov, Riemann-Hilbert problem to the modified Korteveg-de Vries equation: Long-time dynamics of the steplike initial data., Journal of Mathematical Physics 51(2010),093506. * [34] A.V.Kitaev and A.H.Vartanian, Leading-order temporal asymptotics of the modified nonlinear Schrödinger equation:solitonless sector., Inverse Problems 13(1997),1311-1339. * [35] A.V.Kitaev and A.H.Vartanian, Asymptotics of solutions to the modified nonlinear Schrödinger equation: Solution on a nonvanishing continuous background., SIAM Journal of Mathematical Analysis 30,no.4(1999),787-832. * [36] A.V.Kitaev and A.H.Vartanian, Higher order asymptotics of the modified non-linear schrödinger equation, Communications in Partial Differential Equations 25(2000), 1043-1098. * [37] H. 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arxiv-papers
2013-04-17T04:20:32
2024-09-04T02:49:44.529484
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Jian Xu, Engui Fan", "submitter": "Engui Fan", "url": "https://arxiv.org/abs/1304.4681" }
1304.4733
# Formation of relativistic non-viscous fluid in central collisions of protons with energy 0.8 TeV with photoemulsion nuclei U. U. Abdurakhmanov V. V. Lugovoi [email protected] Physical-Technical Institute of Uzbek Academy of Science, Tashkent, Uzbekistan ###### Abstract By the methods of mathematical statistics we test a qualitative prediction of the old theory of relativistic hydrodynamics non-viscous liquid which can be used as a part of the process of hadronization within the modern hydrodynamical approach for the description of the quark-gluon plasma. Experimental data on the interaction of protons with the energies of 0.8 TeV with emulsion nuclei are used. Results do not contradict the formation of relativistic ideal non-viscous liquid in rare central collisions. ## I Introduction In the ion-ion collisions at CERN and RHIC it was discovered a collective behaviour of the quark-gluon medium, which manifests itself in the possibility of the quarks and gluons to free themselves off nucleons, interact strongly with each other and quite a long time to move as a unit. This movement is well described within the hydrodynamic theory of liquids of low viscosity, which is formed in the central collisions of ions (see reviews Dremin-UFN-2010 ; Shuryak-2009 ). Such a hot quark-gluon plasma (QGP) expands and cools to a temperature $T\approx\mu c^{2}$ ($\mu$ is a pion mass). This results in the more $"$cold$"$ hadrons. Hadronization of quarks and gluons is a serious yet insuperable theoretical problem. Therefore, the hydrodynamic approach in the stage of hadronization uses the fitting parameters (see Dremin-UFN-2010 .) Therefore, it might be useful to use old result related to the hydrodynamic theory, which seems logically to fit into the model of the modern approach to the hadronization of QGP. Namely, for a description of the second stage of hadronization, when the temperature is close to $T\approx\mu c^{2}$, but QGP has already started to form hadrons, among which there is still a colored interaction, that is, these hadrons still yet form a substance with the properties of the relativistic non-viscous liquid. This state of substance is considered as the starting point in the Landau approach Landau53 ; Landau52 , which showed that, in this case, after further expansion of matter according to the laws of relativistic hydrodynamics of non-viscous liquid, the not interacting each other hadrons are born according to the Gaussian distribution on the quasirapidity $\eta=-ln\;tg\frac{\theta}{2}$, where $\theta$ is the polar angle of the particle. In the modern approach, like it was in Landau53 ; Landau52 , the central collisions with the large multiplicity of secondary hadrons are taken into account. However, the presence of fast valence quarks creates the fluctuations NuclPhys of the average values of quasirapidities of the hadrons which are formed from the QGP, where the parton density increases with energy, in particular, due to the production of vacuum pairs of leading to the birth of the relatively soft hadrons. These quasirapidity fluctuations lead to the total non-Gaussian inclusive distribution of particles in all events. A variation of mean quasirapidity does not change the form of the quasirapidity distribution in each event. Therefore, it would be interesting to determine the form of experimental particle distribution on the quasirapidity in the every individual central nucleon-nucleus and nucleus- nucleus collision. It is not possible to verify visually. However, in the mathematical statistics, there are well-developed methods using which we can verify that the given distribution has a Gauss type. In this paper we will use these techniques. Our experimental data (Baton Rouge-Krakow-Moscow-Tashkent Collaboration Collab ) are (central) collisions of protons with energies of 0.8 TeV with emulsion nuclei. This energy is less than the energy at which ATLAS Dremin-UFN-2010 ; Shuryak-2009 collaboration is working, and so the cross section of the hard jet production is small. Thus, the hard jets can not distort [1] the form of quasirapidy distribution. Therefore, at 0.8 TeV energy, this distortion practically will not be. However, in the papers Landau53 ; Landau52 it was predicted that non-viscous liquid can be formed at the incident proton energies above $1TeV$. However, this value is close to the energy at which our experimental data was obtained. Therefore, to test the theoretical predictions for the properties of the relativistic ideal non-viscous liquid, our experimental data can be used. ## II Parametrically invariant variables The theoretical Gaussian distribution $f(\eta)\propto(\sigma\sqrt{2\pi})^{-1}\cdot exp(-\frac{(\nu-\eta)^{2}}{2\sigma^{2}})\;$ has two parameters (a mathematical expectation $\nu$ and variance $\sigma$), which depend on the physical conditions that arise in each collision (see NuclPhys ). Therefore, for example, the total inclusive theoretical and experimental Collab distributions differ from the Gaussian distribution. The theory of mathematical statistics Kramer offers asymmetry $g_{1}$ and excess $g_{2}$, which do not depend on these parameters $\nu$ and $\sigma$ but they are sensitive to the shape of the distribution : $\displaystyle g_{1}=m_{3}m_{2}^{-3/2}\;,\;\;\;\;g_{2}=m_{4}m_{2}^{-2}-3\;,\;\;\;\;m_{k}=\frac{1}{n}\sum_{i=1}^{n}\left(\eta_{i}-\bar{\eta}\;\right)^{k}\;\;,\;\;\;\;\;\;\bar{\eta}=\frac{1}{n}\sum_{i=1}^{n}\eta_{i}\;\;.$ (1) Here $n$ is the number of particles in the event (interaction). In order to use an approach proposed by the mathematical statistics, we divide an ensemble Kramer of the theoretical central collisions into subensembles so that the number of particles $n$ and the value of $\nu$ (the average quasirapidity of particles in the event) were constant in the events of each subensemble. In this case, if the values of $\eta_{1}$, $\eta_{2}$, … , $\eta_{n}$ are mutually independent in the events of subensemble and distributed according to the Gaussian law with parameters $\nu$ and $\sigma$, then the distribution of $g_{1}$ and $g_{2}$ is independent on the parameters $\nu$ and $\sigma$ and uniquely determined by the number of particles $n$ in the event of subensemble. The mathematical expectation and variance of $g_{1}$ and $g_{2}$ values are Kramer $\displaystyle\nu_{g_{1}}(n)=0\;\;,\;\;\;\sigma_{g_{1}}^{2}(n)=6(n-2)(n+1)^{-1}(n+3)^{-1}\;\;,\;\;\;\;\;\;\;\;\;\;\;\;\;\;\;$ $\displaystyle\nu_{g_{2}}(n)=-6(n+1)^{-1}\;\;,\;\;\sigma_{g_{2}}^{2}(n)=24n(n-2)(n-3)(n+1)^{-2}(n+3)^{-1}(n+5)^{-1}\;\;,$ (2) and the values of Kramer $\displaystyle d_{1}=\left[g_{1}-\nu_{g_{1}}(n)\right]\;\sigma_{g_{1}}^{-1}(n)\;\;\;,\;\;\;\;d_{2}=\left[g_{2}-\nu_{g_{2}}(n)\right]\;\sigma_{g_{2}}^{-1}(n)\;\;,$ (3) according to the represented form, have the mathematical expectations equal to $0$ and variances equal to $1$ in each subensemble, and so in an ensemble of all the events. In accordance with the logic of mathematical statistics, we can group the events with different n into so-called complex tests (groups), containing $N$ of events. Now we use the central limit theorem of the probability theory, namely, when a large $N$ each of the quantities $\displaystyle\bar{d_{1}}\;\sqrt{N}=\frac{1}{\sqrt{N}}\sum_{i=1}^{N}d_{1i}\;\;,\;\;\;\bar{d_{2}}\;\sqrt{N}=\frac{1}{\sqrt{N}}\sum_{i=1}^{N}d_{2i}\;\;$ (4) has approximately a normal distribution with parameters $0$ and $1$, and its absolute value must be less than two111Given the asymptotic normality of the variables $d_{1}$ and $d_{2}$ for large $n$ Kramer , this conclusion can be considered as valid for a small number of $N$, but a large number of $n$. with probability $\approx 95\%$. In the next section we use this theoretical result. ## III RESULTS We use experimental data222 The details of the experiment were described in Collab . Collab , which contain 1685 collisions of protons with an energy of 0.8 TeV with emulsion nuclei. For secondary charged particles, the azimuthal angles $\varphi$ and their emission angles $\theta$ with respect to the direction of the projectile were measured. The quasirapidity $\eta$ of secondary particle is determined by the formula $\eta=-\;ln\;tg\frac{\theta}{2}$. he average multiplicities of weakly ionizing particles and all charged particles are, respectively, 20 and 25. Particles for which $I<1.4I_{0}$, where $I_{0}$ is the ionization along the tracks of singly charged relativistic particles, were taken to be weakly ionizing particles. If in the event a large number of gray particles are produced, it is likely the result of the intranuclear cascade, rather than a central collision. However, the relativistic particles of ideal inviscid fluid can be produced in central collisions from the narrow relativistic disks Dremin-UFN-2010 ; Shuryak-2009 . So in this case we can expect the formation of the largest possible number of weakly ionizing particles and the minimum number of gray particles. This is the first qualitative criterion of the selection of events. The second quantitative selection criterion of events means that each of two values $\mid\bar{d_{1}}\;\sqrt{N}\mid$ and $\mid\bar{d_{2}}\;\sqrt{N}\mid$ should be less than two (see section 2). These criteria are completely fulfilled, that is, $\mid\bar{d_{1}}\;\sqrt{N}\mid=2.0$ and $\mid\bar{d_{2}}\;\sqrt{N}\mid=0.4$, in eight stars, where the multiplicity of relativistic singly charged particles is $n\geq$ 55 and there is complete absence of gray particle. Thus, only small fraction of the events meets the criteria formation of the relativistic ideal inviscid fluid. This may be connected with the fact that the energy $E_{lab}=0.8$ TeV is equal to the minimum energy at which the theoretical prediction was done Landau53 ; Landau52 for, in fact, very rare absolutely central collisions. Moreover, for example, an excess is a moment of high order and so it is very sensitive to the form of (quasirapidity) distribution at the tails of the distribution. Therefore we use a very strict statistical selection criterion. Thus, we can conclude that our result does not contradict the formation of the relativistic ideal non-viscous liquid, and in the same time, shows that it would be interesting to carry out similar calculations for higher energy. If the result of the comparison will be positive, the theoretical prediction of Landau53 ; Landau52 could be considered as a part of the process of hadronization in the modern hydrodynamic theory of QGP. ## Acknowledgements The authors are grateful to V.Sh. Novotny and V.M. Chudakov for helpful discussions, and the participants of cooperation (Baton Rouge-Krakow-Moscow- Tashkent Collaboration) for the provided experimental data. ## References * (1) ## References * (2) I.M. Dremin and A.V. Leonidov, $"$The quark-gluon medium$"$, Uspekhi Fizicheskikh Nauk, Vol. 180, No. 11, 2010, pp. 1167 - 1196. * (3) E. Shuryak,$"$Physics of Strongly coupled Quark-Gluon Plasma$"$, Prog. Part. Nucl. Phys., Vol. 62, 2009, pp.48-124; arXiv:0807.3033v2 [ hep-ph]. * (4) L.D. Landau, $"$About multiple production of particles in collisions of fast particles$"$, Izvestija AN SSSR, Vol.17 , 1953, pp.51-64. * (5) S.Z. Belenkiy and L.D. Landau, $"$The hydrodynamic theory of multiparticle production$"$, Uspekhi Fizicheskikh Nauk, Vol.56, No.3-4, 1955, pp.309-348. * (6) A. Abduzhamilov, L.M. Barbier, L.P. Chernova et all., $"$Charged-particle multiplicity and angular distributions in proton-emulsion interactions at 800 GeV$"$, Phys. Rev. D Part Fields, Vol. 35, No.1, 1987, pp.3537-3540. * (7) K.G. Gulamov, S.I. Zhokhova, V.V. Lugovoi, et all., $"$Pseudorapidity Configurations in Collisions between Gold Nuclei and Track-Emulsion Nuclei.$"$, Phys.Atom.Nucl. Vol.73, 2010, pp. 1185-1190 ; Yad.Fiz. Vol.73, 2010, pp. 1225-1230. * (8) G. Kramer, $"$The mathematical methods of statistics$"$, IL, Moscow, 1948, pp.1-648.
arxiv-papers
2013-04-17T08:49:40
2024-09-04T02:49:44.537765
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "U. U. Abdurakhmanov and V. V. Lugovoi", "submitter": "Vladimir Lugovoi", "url": "https://arxiv.org/abs/1304.4733" }
1304.4741
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-054 LHCb-PAPER-2013-006 16 April 2013 Precision measurement of the $B^{0}_{s}$-$\kern 3.73305pt\overline{\kern-3.73305ptB}{}^{0}_{s}$ oscillation frequency with the decay $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ The LHCb collaboration†††Authors are listed on the following pages. A key ingredient to searches for physics beyond the Standard Model in $B^{0}_{s}$ mixing phenomena is the measurement of the $B^{0}_{s}$-$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ oscillation frequency, which is equivalent to the mass difference $\Delta m_{s}$ of the $B^{0}_{s}$ mass eigenstates. Using the world’s largest $B^{0}_{s}$ meson sample accumulated in a dataset, corresponding to an integrated luminosity of 1.0 $\mbox{\,fb}^{-1}$, collected by the LHCb experiment at the CERN LHC in 2011, a measurement of $\Delta m_{s}$ is presented. A total of about 34,000 $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ signal decays are reconstructed, with an average decay time resolution of 44 fs. The oscillation frequency is measured to be $\Delta m_{s}$ = 17.768 $\pm$ 0.023 (stat) $\pm$ 0.006 (syst) ps-1, which is the most precise measurement to date. Submitted to New Journal of Physics © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen56, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 34, M. Artuso57, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso58, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, M. Benayoun8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani44, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk57, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia57, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton57, N.H. Brook45, H. Brown51, I. Burducea28, A. Bursche39, G. Busetto21,q, J. Buytaert37, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez35,n, A. Camboni35, P. Campana18,37, D. Campora Perez37, A. Carbone14,c, G. Carboni23,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia49, L. Carson52, K. Carvalho Akiba2, G. Casse51, M. Cattaneo37, Ch. Cauet9, M. Charles54, Ph. Charpentier37, P. Chen3,38, N. Chiapolini39, M. Chrzaszcz 25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco40, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15,37, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, B. Couturier37, G.A. Cowan49, D.C. Craik47, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, P. David8, P.N.Y. David40, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian39, J.M. De Miranda1, L. De Paula2, W. De Silva56, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, D. Derkach14, O. Deschamps5, F. Dettori41, A. Di Canto11, H. Dijkstra37, M. Dogaru28, S. Donleavy51, F. Dordei11, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, R. Dzhelyadin34, A. Dziurda25, A. Dzyuba29, S. Easo48,37, U. Egede52, V. Egorychev30, S. Eidelman33, D. van Eijk40, S. Eisenhardt49, U. Eitschberger9, R. Ekelhof9, L. Eklund50,37, I. El Rifai5, Ch. Elsasser39, D. Elsby44, A. Falabella14,e, C. Färber11, G. Fardell49, C. Farinelli40, S. Farry12, V. Fave38, D. Ferguson49, V. Fernandez Albor36, F. Ferreira Rodrigues1, M. Ferro-Luzzi37, S. Filippov32, M. Fiore16, C. Fitzpatrick37, M. Fontana10, F. Fontanelli19,i, R. Forty37, O. Francisco2, M. Frank37, C. Frei37, M. Frosini17,f, S. Furcas20, E. Furfaro23,k, A. Gallas Torreira36, D. Galli14,c, M. Gandelman2, P. Gandini57, Y. Gao3, J. Garofoli57, P. Garosi53, J. Garra Tico46, L. Garrido35, C. Gaspar37, R. Gauld54, E. Gersabeck11, M. Gersabeck53, T. Gershon47,37, Ph. Ghez4, V. Gibson46, V.V. Gligorov37, C. Göbel58, D. Golubkov30, A. Golutvin52,30,37, A. Gomes2, H. Gordon54, M. Grabalosa Gándara5, R. Graciani Diaz35, L.A. Granado Cardoso37, E. Graugés35, G. Graziani17, A. Grecu28, E. Greening54, S. Gregson46, O. Grünberg59, B. Gui57, E. Gushchin32, Yu. Guz34,37, T. Gys37, C. Hadjivasiliou57, G. Haefeli38, C. Haen37, S.C. Haines46, S. Hall52, T. Hampson45, S. Hansmann-Menzemer11, N. Harnew54, S.T. Harnew45, J. Harrison53, T. Hartmann59, J. He37, V. Heijne40, K. Hennessy51, P. Henrard5, J.A. Hernando Morata36, E. van Herwijnen37, E. Hicks51, D. Hill54, M. Hoballah5, C. Hombach53, P. Hopchev4, W. Hulsbergen40, P. Hunt54, T. Huse51, N. Hussain54, D. Hutchcroft51, D. Hynds50, V. Iakovenko43, M. Idzik26, P. Ilten12, R. Jacobsson37, A. Jaeger11, E. Jans40, P. Jaton38, F. Jing3, M. John54, D. Johnson54, C.R. Jones46, B. Jost37, M. Kaballo9, S. Kandybei42, M. Karacson37, T.M. Karbach37, I.R. Kenyon44, U. Kerzel37, T. Ketel41, A. Keune38, B. Khanji20, O. Kochebina7, I. Komarov38, R.F. Koopman41, P. Koppenburg40, M. Korolev31, A. Kozlinskiy40, L. Kravchuk32, K. Kreplin11, M. Kreps47, G. Krocker11, P. Krokovny33, F. Kruse9, M. Kucharczyk20,25,j, V. Kudryavtsev33, T. Kvaratskheliya30,37, V.N. La Thi38, D. Lacarrere37, G. Lafferty53, A. Lai15, D. Lambert49, R.W. Lambert41, E. Lanciotti37, G. Lanfranchi18, C. Langenbruch37, T. Latham47, C. Lazzeroni44, R. Le Gac6, J. van Leerdam40, J.-P. Lees4, R. Lefèvre5, A. Leflat31, J. Lefrançois7, S. Leo22, O. Leroy6, T. Lesiak25, B. Leverington11, Y. Li3, L. Li Gioi5, M. Liles51, R. Lindner37, C. Linn11, B. Liu3, G. Liu37, S. Lohn37, I. Longstaff50, J.H. Lopes2, E. Lopez Asamar35, N. Lopez-March38, H. Lu3, D. Lucchesi21,q, J. Luisier38, H. Luo49, F. Machefert7, I.V. Machikhiliyan4,30, F. Maciuc28, O. Maev29,37, S. Malde54, G. Manca15,d, G. Mancinelli6, U. Marconi14, R. Märki38, J. Marks11, G. Martellotti24, A. Martens8, L. Martin54, A. Martín Sánchez7, M. Martinelli40, D. Martinez Santos41, D. Martins Tostes2, A. Massafferri1, R. Matev37, Z. Mathe37, C. Matteuzzi20, E. Maurice6, A. Mazurov16,32,37,e, J. McCarthy44, A. McNab53, R. McNulty12, B. Meadows56,54, F. Meier9, M. Meissner11, M. Merk40, D.A. Milanes8, M.-N. Minard4, J. Molina Rodriguez58, S. Monteil5, D. Moran53, P. Morawski25, M.J. Morello22,s, R. Mountain57, I. Mous40, F. Muheim49, K. Müller39, R. Muresan28, B. Muryn26, B. Muster38, P. Naik45, T. Nakada38, R. Nandakumar48, I. Nasteva1, M. Needham49, N. Neufeld37, A.D. Nguyen38, T.D. Nguyen38, C. Nguyen-Mau38,p, M. Nicol7, V. Niess5, R. Niet9, N. Nikitin31, T. Nikodem11, A. Nomerotski54, A. Novoselov34, A. Oblakowska-Mucha26, V. Obraztsov34, S. Oggero40, S. Ogilvy50, O. Okhrimenko43, R. Oldeman15,d, M. Orlandea28, J.M. Otalora Goicochea2, P. Owen52, A. Oyanguren 35,o, B.K. Pal57, A. Palano13,b, M. Palutan18, J. Panman37, A. Papanestis48, M. Pappagallo50, C. Parkes53, C.J. Parkinson52, G. Passaleva17, G.D. Patel51, M. Patel52, G.N. Patrick48, C. Patrignani19,i, C. Pavel-Nicorescu28, A. Pazos Alvarez36, A. Pellegrino40, G. Penso24,l, M. Pepe Altarelli37, S. Perazzini14,c, D.L. Perego20,j, E. Perez Trigo36, A. Pérez-Calero Yzquierdo35, P. Perret5, M. Perrin-Terrin6, G. Pessina20, K. Petridis52, A. Petrolini19,i, A. Phan57, E. Picatoste Olloqui35, B. Pietrzyk4, T. Pilař47, D. Pinci24, S. Playfer49, M. Plo Casasus36, F. Polci8, G. Polok25, A. Poluektov47,33, E. Polycarpo2, D. Popov10, B. Popovici28, C. Potterat35, A. Powell54, J. Prisciandaro38, V. Pugatch43, A. Puig Navarro38, G. Punzi22,r, W. Qian4, J.H. Rademacker45, B. Rakotomiaramanana38, M.S. Rangel2, I. Raniuk42, N. Rauschmayr37, G. Raven41, S. Redford54, M.M. Reid47, A.C. dos Reis1, S. Ricciardi48, A. Richards52, K. Rinnert51, V. Rives Molina35, D.A. Roa Romero5, P. Robbe7, E. Rodrigues53, P. Rodriguez Perez36, S. Roiser37, V. Romanovsky34, A. Romero Vidal36, J. Rouvinet38, T. Ruf37, F. Ruffini22, H. Ruiz35, P. Ruiz Valls35,o, G. Sabatino24,k, J.J. Saborido Silva36, N. Sagidova29, P. Sail50, B. Saitta15,d, C. Salzmann39, B. Sanmartin Sedes36, M. Sannino19,i, R. Santacesaria24, C. Santamarina Rios36, E. Santovetti23,k, M. Sapunov6, A. Sarti18,l, C. Satriano24,m, A. Satta23, M. Savrie16,e, D. Savrina30,31, P. Schaack52, M. Schiller41, H. Schindler37, M. Schlupp9, M. Schmelling10, B. Schmidt37, O. Schneider38, A. Schopper37, M.-H. Schune7, R. Schwemmer37, B. Sciascia18, A. Sciubba24, M. Seco36, A. Semennikov30, K. Senderowska26, I. Sepp52, N. Serra39, J. Serrano6, P. Seyfert11, M. Shapkin34, I. Shapoval16,42, P. Shatalov30, Y. Shcheglov29, T. Shears51,37, L. Shekhtman33, O. Shevchenko42, V. Shevchenko30, A. Shires52, R. Silva Coutinho47, T. Skwarnicki57, N.A. Smith51, E. Smith54,48, M. Smith53, M.D. Sokoloff56, F.J.P. Soler50, F. Soomro18, D. Souza45, B. Souza De Paula2, B. Spaan9, A. Sparkes49, P. Spradlin50, F. Stagni37, S. Stahl11, O. Steinkamp39, S. Stoica28, S. Stone57, B. Storaci39, M. Straticiuc28, U. Straumann39, V.K. Subbiah37, S. Swientek9, V. Syropoulos41, M. Szczekowski27, P. Szczypka38,37, T. Szumlak26, S. T’Jampens4, M. Teklishyn7, E. Teodorescu28, F. Teubert37, C. Thomas54, E. Thomas37, J. van Tilburg11, V. Tisserand4, M. Tobin38, S. Tolk41, D. Tonelli37, S. Topp-Joergensen54, N. Torr54, E. Tournefier4,52, S. Tourneur38, M.T. Tran38, M. Tresch39, A. Tsaregorodtsev6, P. Tsopelas40, N. Tuning40, M. Ubeda Garcia37, A. Ukleja27, D. Urner53, U. Uwer11, V. Vagnoni14, G. Valenti14, R. Vazquez Gomez35, P. Vazquez Regueiro36, S. Vecchi16, J.J. Velthuis45, M. Veltri17,g, G. Veneziano38, M. Vesterinen37, B. Viaud7, D. Vieira2, X. Vilasis-Cardona35,n, A. Vollhardt39, D. Volyanskyy10, D. Voong45, A. Vorobyev29, V. Vorobyev33, C. Voß59, H. Voss10, R. Waldi59, R. Wallace12, S. Wandernoth11, J. Wang57, D.R. Ward46, N.K. Watson44, A.D. Webber53, D. Websdale52, M. Whitehead47, J. Wicht37, J. Wiechczynski25, D. Wiedner11, L. Wiggers40, G. Wilkinson54, M.P. Williams47,48, M. Williams55, F.F. Wilson48, J. Wishahi9, M. Witek25, S.A. Wotton46, S. Wright46, S. Wu3, K. Wyllie37, Y. Xie49,37, F. Xing54, Z. Xing57, Z. Yang3, R. Young49, X. Yuan3, O. Yushchenko34, M. Zangoli14, M. Zavertyaev10,a, F. Zhang3, L. Zhang57, W.C. Zhang12, Y. Zhang3, A. Zhelezov11, A. Zhokhov30, L. Zhong3, A. Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57Syracuse University, Syracuse, NY, United States 58Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 59Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ## 1 Introduction The Standard Model (SM) of particle physics, despite its great success in describing experimental data, is considered an effective theory only valid at low energies, below the $\mathrm{\,Te\kern-1.00006ptV}$ scale. At higher energies, new physics phenomena are predicted to emerge. For analyses looking for physics beyond the SM (BSM) there are two conceptually different approaches: direct and indirect searches. Direct searches are performed at the highest available energies and aim at producing and detecting new heavy particles. Indirect searches focus on precision measurements of quantum-loop induced processes. Accurate theoretical predictions are available for the heavy quark sector in the SM. It is therefore an excellent place to search for new phenomena [1, 2], since any deviation from these predictions can be attributed to contributions from BSM. In the SM, transitions between quark families (flavours) are possible via the charged current weak interaction. Flavour changing neutral currents (FCNC) are forbidden at lowest order, but are allowed in higher order processes. Since new particles can contribute to these loop diagrams, such processes are highly sensitive to contributions from BSM. An example FCNC transition is neutral meson mixing, where neutral mesons can transform into their antiparticles. Particle-antiparticle oscillations have been observed in the $K^{0}$-$\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{0}$ system [3], the $B^{0}$-$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ [4] system, the $B^{0}_{s}$-$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ system [5, 6] and the $D^{0}$-$\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ system [7, 8, 9, 10]. The frequency of $B^{0}_{s}$-$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ oscillations is the highest. On average, a $B^{0}_{s}$ meson changes its flavour nine times between production and decay. This poses a challenge to the detector for the measurement of the decay time. Another key ingredient of this measurement is the determination of the flavour of the $B^{0}_{s}$ meson at production, which relies heavily on good particle identification and the separation of tracks from the primary interaction point. The observed particle and antiparticle states $B^{0}_{s}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ are linear combinations of the mass eigenstates $B_{\rm H}$ and $B_{\rm L}$ with masses $m_{\rm H}$ and $m_{\rm L}$ and decay widths $\Gamma_{\rm H}$ and $\Gamma_{\rm L}$, respectively [11]. The $B^{0}_{s}$ oscillation frequency is equivalent to the mass difference $\Delta m_{s}=m_{\rm H}-m_{\rm L}$. The parameter $\Delta m_{s}$ is an essential ingredient for all studies of time-dependent matter–antimatter asymmetries involving $B^{0}_{s}$ mesons, such as the $B^{0}_{s}$ mixing phase $\phi_{s}$ in the decay $B^{0}_{s}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\phi$ [12]. It was first observed by the CDF experiment [6]. The LHCb experiment published a measurement of this frequency using a dataset, corresponding to an integrated luminosity of 37$\mbox{\,pb}^{-1}$, taken in 2010 [13]. This analysis complements the previous result and is obtained in a similar way, using a data sample, corresponding to an integrated luminosity of 1.0 $\mbox{\,fb}^{-1}$, collected by LHCb in 2011. ## 2 The LHCb experiment The LHCb experiment is designed for precision measurements in the beauty and charm hadron systems. At a center-of-mass energy of $\sqrt{s}=7$ $\mathrm{\,Te\kern-1.00006ptV}$, about $3\cdot 10^{11}$ $b\overline{}b$ pairs were produced in 2011. The LHCb detector [14] is a single-arm forward spectrometer covering the pseudorapidity range from two to five. The excellent decay time resolution necessary to resolve the fast $B^{0}_{s}$-$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ oscillation is provided by a silicon-strip vertex detector surrounding the $pp$ interaction region. At nominal position the sensitive region of the vertex detector is only 8 mm away from the beam. Impact parameter (IP) resolution of 20$\,\upmu\rm m$ for tracks with high transverse momentum ($p_{\rm T}$) is achieved. Charged particle momenta are measured with the LHCb tracking system consisting of the aforementioned vertex dector, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system has momentum resolution $\Delta p/p$ that varies from 0.4% at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. Since this analysis is performed with decays involving only hadrons in the final state, excellent particle identification is crucial to suppress background. Charged hadrons are identified using two ring-imaging Cherenkov detectors[15]. Photon, electron, and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter, and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The first stage of the trigger [16] is implemented in hardware, based on information from the calorimeter and muon systems, and selects events that contain candidates with large transverse energy and transverse momentum. This is followed by a software stage which applies a full event reconstruction. The software trigger used in this analysis requires a two-, three- or four-track secondary vertex with a significant displacement from the primary interaction, a large sum of $p_{\rm T}$ of the tracks, and at least one track with $\mbox{$p_{\rm T}$}>1.7{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. In addition an IP $\chi^{2}$ with respect to the primary interaction greater than 16 and a track fit $\chi^{2}$ per degree of freedom $<2$ is required. The IP $\chi^{2}$ is defined as the difference between the $\chi^{2}$ of the primary vertex reconstructed with and without the considered track. A multivariate algorithm is used for the identification of the secondary vertices. For the simulation, $pp$ collisions are generated using Pythia 6.4 [17] with a specific LHCb configuration [18]. Decays of hadronic particles are described by EvtGen [19], in which final state radiation is generated using Photos [20]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [21, *Agostinelli:2002hh], as described in Ref. [23]. ## 3 Signal selection and analysis strategy The analysis uses $B^{0}_{s}$ candidates reconstructed in the flavour-specific decay mode111Unless explicitly stated, inclusion of charge-conjugated modes is implied. $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ in five $D^{-}_{s}$ decay modes, namely $D^{-}_{s}\\!\rightarrow\phi(K^{+}K^{-})\pi^{-}$, $D^{-}_{s}\\!\rightarrow K^{*0}(K^{+}\pi^{-})K^{-}$, $D^{-}_{s}\\!\rightarrow K^{+}K^{-}\pi^{-}$ nonresonant, $D^{-}_{s}\\!\rightarrow K^{-}\pi^{+}\pi^{-}$, and $D^{-}_{s}\\!\rightarrow\pi^{-}\pi^{+}\pi^{-}$. To avoid double counting, events that contain a candidate passing the selection criteria of one mode, are not considered for the subsequent modes, using the order listed above. All reconstructed decays are flavour-specific final states, thus the flavour of the $B^{0}_{s}$ candidate at the time of its decay is given by the charges of the final state particles. A combination of tagging algorithms is used to identify the $B^{0}_{s}$ flavour at production. The algorithms provide for each candidate a tagging decision as well as an estimate of the probability that this decision is wrong (mistag probability). These algorithms have been optimized using large event samples of flavour-specific decays [24, 25]. To be able to study the effect of selection criteria that influence the decay time spectrum, we restrict the analysis to those events in which the signal candidate passed the requirements of the software trigger algorithm used in this analysis. Specific features, such as the masses of the intermediate $\phi$ and $K^{*0}$ resonances or the Dalitz structure of the $D^{-}_{s}\\!\rightarrow\pi^{-}\pi^{+}\pi^{-}$ decay mode, are exploited for the five decay modes. The most powerful quantity to separate signal from background common to all decay modes is the output of a boosted decision tree (BDT) [26]. The BDT exploits the long $B^{0}_{s}$ lifetime by using as input the IP $\chi^{2}$ of the daughter tracks, the angle of the reconstructed $B^{0}_{s}$ momentum relative to the line between the reconstructed primary vertex, and the $B^{0}_{s}$ vertex and the radial flight distance in the transverse plane of both the $B^{0}_{s}$ and the $D^{-}_{s}$ meson. Additional requirements are applied on the sum of the $p_{\rm T}$ of the $B^{0}_{s}$ candidate’s decay products as well as on particle identification variables, and on track and vertex quality. The reconstructed $D^{-}_{s}$ mass is required to be consistent with the known value [27]. After this selection, a total of about 47,800 candidates remain in the $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ invariant mass window of 5.32 – 5.98 ${\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$. An unbinned likelihood method is employed to simultaneously fit the $B^{0}_{s}$ invariant mass and decay time distributions of the five decay modes. The probability density functions (PDFs) for signal and background in each of the five modes can be written as $\mathcal{P}=\mathcal{P}_{m}(m)\,\mathcal{P}_{t}(t,q|\sigma_{t},\eta)\,\mathcal{P}_{\sigma_{t}}(\sigma_{t})\,\mathcal{P}_{\eta}(\eta),$ (1) where $m$ is the reconstructed invariant mass of the $B^{0}_{s}$ candidate, $t$ is its reconstructed decay time and $\sigma_{t}$ is an event-by-event estimate of the decay time resolution. The tagging decision $q$ can be 0 if no tag is found, $-1$ for events with different flavour at production and decay (mixed) or $+1$ for events with the same flavour at production and decay (unmixed). The predicted event-by-event mistag probability $\eta$ can take values between 0 and 0.5. The functions $\mathcal{P}_{m}$ and $\mathcal{P}_{t}$ describe the invariant mass and the decay time probability distributions, respectively. $\mathcal{P}_{t}$ is a conditional probability depending on $\sigma_{t}$ and $\eta$. The functions $\mathcal{P}_{\sigma_{t}}$ and $\mathcal{P}_{\eta}$ are required to ensure the proper relative normalization of $\mathcal{P}_{t}$ for signal and background [28]. The functions $\mathcal{P}_{\sigma_{t}}$ and $\mathcal{P}_{\eta}$ are determined from data, using the measured distribution in the upper $B^{0}_{s}$ invariant mass sideband for the background PDF and the sideband subtracted distribution in the invariant mass signal region for the signal PDF. This measurement has been performed “blinded”, meaning that during the analysis process the fitted value of $\Delta m_{s}$ was shifted by an unknown value, which was removed after the analysis procedure had been finalized. ## 4 Invariant mass description Figure 1: Invariant mass distributions for $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ candidates with the $D^{-}_{s}$ meson decaying as a) $D^{-}_{s}\\!\rightarrow\phi(K^{+}K^{-})\pi^{-}$, b) $D^{-}_{s}\\!\rightarrow K^{*0}(K^{+}\pi^{-})K^{-}$, c) $D^{-}_{s}\\!\rightarrow K^{+}K^{-}\pi^{-}$ nonresonant, d) $D^{-}_{s}\\!\rightarrow K^{-}\pi^{+}\pi^{-}$, and e) $D^{-}_{s}\\!\rightarrow\pi^{-}\pi^{+}\pi^{-}$. The fits and the various background components are described in the text. Misidentified backgrounds refer to background from $B^{0}$ and $\mathchar 28931\relax^{0}_{b}$ decays with one misidentified daughter particle. The invariant mass of each $B^{0}_{s}$ candidate is determined in a vertex fit constraining the $D^{-}_{s}$ invariant mass to its known value [27]. The invariant mass spectra for the five decay modes after all the selection criteria are applied are shown in Fig. 1. The fit to the five distributions takes into account contributions from signal, combinatorial background and $b$-hadron decay backgrounds. The signal components are described by the sum of two Crystal Ball (CB) functions [29], which are constrained to have the same peak parameter. The parameters of the CB function describing the tails are fixed to values obtained from simulation, whereas the mean and the two widths are allowed to vary. These are constrained to be the same for all five decay modes. It has been checked on data that the mass resolution is compatible among all modes. The $b$-hadron decay background includes $B^{0}$ and $\mathchar 28931\relax^{0}_{b}$ decays with one misidentified daughter particle. Their mass shapes are derived from simulated samples. The yields for the different $b$-hadron decay backgrounds are allowed to vary individually for each of the five decay modes. Another component originates from $B^{0}_{s}\\!\rightarrow D^{\mp}_{s}K^{\pm}$ decays, in which the kaon is misidentified as a pion. This contribution is treated as signal in the decay time analysis. Table 1: Number of candidates and $B^{0}_{s}$ signal fractions in the mass range 5.32 – 5.98 ${\mathrm{\,Ge\kern-0.90005ptV\\!/}c^{2}}$. Decay mode | ($D^{-}_{s}$ $\pi^{+}$) candidates | $f_{\mbox{$B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$}}$ | $f_{\mbox{$B^{0}_{s}\\!\rightarrow D^{\mp}_{s}K^{\pm}$}}$ ---|---|---|--- $D^{-}_{s}\\!\rightarrow\phi(K^{+}K^{-})\pi^{-}$ | 14691 | 0.834 | $\pm$ 0.008 | | $D^{-}_{s}\\!\rightarrow K^{*0}(K^{+}\pi^{-})K^{-}$ | 10866 | 0.857 | $\pm$ 0.009 | | $D^{-}_{s}\\!\rightarrow K^{+}K^{-}\pi^{-}$ nonresonant | 11262 | 0.595 | $\pm$ 0.009 | | $D^{-}_{s}\\!\rightarrow K^{-}\pi^{+}\pi^{-}$ | 4288 | 0.437 | $\pm$ 0.014 | | $D^{-}_{s}\\!\rightarrow\pi^{-}\pi^{+}\pi^{-}$ | 6674 | 0.599 | $\pm$ 0.008 | 0.019 | $\pm$0.010 Total | 47781 | 0.714 | $\pm$ 0.004 | 0.019 | $\pm$0.010 The requirement that the invariant mass be larger than 5.32 ${\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ rejects background candidates from $B^{0}_{s}$ decays with additional particles in the decay not reconstructed, such as $B^{0}_{s}\\!\rightarrow D^{*-}_{s}\pi^{+}$ ($D^{*-}_{s}\\!\rightarrow D^{-}_{s}\pi^{0}$ or $D^{-}_{s}$ $\gamma$). The fitted number of signal candidates does not change with respect to a fit in a larger mass window. The high mass sideband region 5.55 – 5.98 ${\mathrm{\,Ge\kern-1.00006ptV\\!/}c^{2}}$ provides a sample of mainly combinatorial background candidates. The mass distribution is described by an exponential function, whose parameters are allowed to vary individually for the five decay modes. By including this region in the fit, we are able to determine the decay time distribution as well as the tagging behaviour of the combinatorial background. The number of used candidates, along with the signal fractions extracted from the two dimensional fit in mass and decay time, are reported in Table 1. One complication arises from the fact that the shape of the invariant mass distribution of the $B^{0}_{s}\\!\rightarrow D^{\mp}_{s}K^{\pm}$ events is very similar to that of the $B^{0}$ background. Therefore the fraction of $B^{0}_{s}\\!\rightarrow D^{\mp}_{s}K^{\pm}$ candidates has been determined in a fit to the $D^{-}_{s}\\!\rightarrow\pi^{-}\pi^{+}\pi^{-}$ mode only, in which no $B^{0}$ background is present. Subsequently this value is used for all other modes. ## 5 Decay time description The decay time of a particle is measured as $t=\frac{Lm}{p},$ (2) where $L$ is the distance between the production vertex and the decay vertex of the particle, $m$ its reconstructed invariant mass, and $p$ its reconstructed momentum. We use the decay time calculated without the $D^{-}_{s}$ mass constraint to avoid a systematic dependence of the $B^{0}_{s}$ decay time on the reconstructed invariant mass. The theoretical distribution of the decay time, $t$, ignoring the oscillation and any detector resolution, is $\mathcal{P}_{t}\propto\Gamma_{s}\,e^{-\Gamma_{s}t}\,\cosh\left(\frac{\Delta\Gamma_{s}}{2}t\right)\,\theta(t),$ (3) where $\Gamma_{s}$ is the $B^{0}_{s}$ decay width and $\Delta\Gamma_{s}$ the decay width difference between the light and heavy mass eigenstate.222$\Delta\Gamma_{s}$ and $\Delta m_{s}$ are measured in units with $\hbar$ = 1 throughout this paper. The value for $\Delta\Gamma_{s}$ is fixed to the latest value measured by LHCb [12] $\Delta\Gamma_{s}$ = 0.106 $\pm$ 0.011 $\pm$ 0.007${\rm\,ps^{-1}}$. It is varied within its uncertainties to assess the systematic effect on the measurement of $\Delta m_{s}$. The Heaviside step function $\theta(t)$ restricts the PDF to positive decay times. To account for detector resolution effects, the decay time PDF is convolved with a Gaussian distribution. The width $\sigma_{t}$ is taken from an event- by-event estimate returned by the fitting algorithm that reconstructs the $B^{0}_{s}$ decay vertex. Due to tracking detector resolution effects $\sigma_{t}$ needs to be calibrated. A data-driven method, combining prompt $D^{-}_{s}$ mesons from the primary interaction with random $\pi^{+}$ mesons, forms fake $B^{0}_{s}$ candidates. The decay time distribution of these candidates, each divided by its event-by-event $\sigma_{t}$, is fitted with a Gaussian function. The width provides a scale factor $S_{\sigma_{t}}$ = 1.37, by which each $\sigma_{t}$ is multiplied, such that it represents the correct resolution. By inspecting different regions of phase space of the fake $B^{0}_{s}$ candidates, the uncertainty range on this number is found to be $1.25<S_{\sigma_{t}}<1.45$. The variation is taken into account as part of the $\Delta m_{s}$ systematic studies. The resulting average decay time resolution is $S_{\sigma_{t}}\times\langle\sigma_{t}\rangle=44$ fs. Some of the selection criteria influence the shape of the decay time distribution, e.g. the requirement of a large IP for $B^{0}_{s}$ daughter tracks. Thus a decay time acceptance function $\mathcal{E}_{t}(t)$ has to be taken into account. Its parametrization is determined from simulated data and the parameter describing its shape is allowed to vary in the fit to the data, while $\Gamma_{s}$ is fixed to the nominal value [27]. Taking into account resolution and decay time acceptance, the PDF given in Eq.(3) is modified to $\mathcal{P}_{t}(t|\sigma_{t})\propto\left[\Gamma_{s}e^{-\Gamma_{s}\,t}\,\cosh\left(\frac{\Delta\Gamma_{s}}{2}t\right)\,\theta(t)\right]\otimes G(t;0,S_{\sigma_{t}}\sigma_{t})\,\,\mathcal{E}_{t}(t),$ (4) with $G(t;0,S_{\sigma_{t}}\sigma_{t})$ being the resolution function determined by the method mentioned above. The decay time PDFs for the $B^{0}$ and $\mathchar 28931\relax^{0}_{b}$ backgrounds are identical to the signal PDF, except for $\Delta\Gamma$ being zero, and $\Gamma_{s}$ being replaced by their respective decay widths [27]. The shape of the decay time distribution of the combinatorial background is determined with high mass sideband data. It is parametrized by the sum of two exponential functions multiplied by a second order polynomial distribution. The exponential and polynomial parameters are allowed to vary in the fit and are constrained to be the same for the five decay modes. ## 6 Flavour tagging To determine the flavour of the $B^{0}_{s}$ meson at production, both opposite-side (OST) and same-side (SST) tagging algorithms are used. The OST exploits the fact that $b$ quarks at the LHC are predominantly produced in quark–antiquark pairs. By partially reconstructing the second $b$ hadron in the event, conclusions on the flavour at production of the signal $B^{0}_{s}$ candidate can be drawn. The OST have been optimized on large samples of $B^{+}\\!\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{+}$, $B\rightarrow\mu^{+}D^{*-}X$, and $B^{0}\\!\rightarrow D^{-}\pi^{+}$ decays [24]. The SST takes advantage of the fact that the net strangeness of the $pp$ collision is zero. Therefore, the $s$ quark needed for the hadronization of the $B^{0}_{s}$ meson must have been produced in association with an $\overline{}s$ quark, which in about 50% of the cases hadronizes to form a charged kaon. By identifying this kaon, the flavour at production of the signal $B^{0}_{s}$ candidate is determined. The optimization of the SST was performed on a data sample of $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ decays, which has a large overlap with the sample used in this analysis [25]. However, since the oscillation frequency is not correlated with the parameters describing tagging performance, this does not bias the $\Delta m_{s}$ measurement. The decisions given by both tagging algorithms have a probability $\omega$ to be incorrect. Each tagging algorithm provides an estimate for the mistag probability $\eta$ which is the output of a neural network combining various event properties. The true mistag probability $\omega$ can be parametrized as a linear function of the estimate $\eta$ [24, 25] $\omega=p_{0}+p_{1}\times\left(\eta-\langle\eta\rangle\right),$ (5) with $\langle\eta\rangle$ being the mean of the distribution of $\eta$. This parametrization is chosen to minimize the correlations between $p_{0}$ and $p_{1}$. The calibration is performed separately for the OST and SST. The sets of calibration parameters $(p_{0},p_{1})_{\rm OST}$ and $(p_{0},p_{1})_{\rm SST}$ are allowed to vary in the fit. The figure of merit of these tagging algorithms is called the effective tagging efficiency $\varepsilon_{\rm eff}$. It gives the factor by which the statistical power of the sample is reduced due to imperfect tagging decisions. In this analysis, $\varepsilon_{\rm eff}$ is found to be $(2.6\pm 0.4)\%$ for the OST and $(1.2\pm 0.3)\%$ for the SST. Uncertainties are statistical only. ## 7 Measurement of $\Delta m_{s}$ Adding the information of the flavour tagging algorithms, the decay time PDF for tagged signal candidates is modified to $\displaystyle\mathcal{P}_{t}(t|\sigma_{t})$ $\displaystyle\propto$ $\displaystyle\left\\{\Gamma_{s}e^{-\Gamma_{s}\,t}\,\frac{1}{2}\left[\cosh\left(\frac{\Delta\Gamma_{s}}{2}t\right)\,+q\left[1-2\omega(\eta_{\rm OST},\eta_{\rm SST})\right]\cos(\Delta m_{s}t)\right]\,\theta(t)\right\\}$ (6) $\displaystyle\otimes~{}G(t,S_{\sigma_{t}}\sigma_{t})\,\,\mathcal{E}_{t}(t)\,\epsilon,$ where $\epsilon$ gives the fraction of candidates with a tagging decision. Signal candidates without a tagging decision are still described by Eq.(4) multiplied by an additional factor $(1-\epsilon)$ to ensure the relative normalization. The information provided by the opposite-side and same-side taggers for the signal is combined to a single tagging decision $q$ and a single mistag probability $\omega(\eta_{\rm OST},\eta_{\rm SST})$ using their respective calibration parameters $p_{0_{\rm OST/SST}}$ and $p_{1_{\rm OST/SST}}$. The individual background components show different tagging characteristics for candidates tagged by the OST or SST. The $b$ hadron backgrounds show the same opposite-side tagging behaviour ($q$ and $\omega$) as the signal, while the combinatorial background shows random tagging behaviour. For same-side tagged events, we assume random tagging behaviour for all background components. We introduce tagging asymmetry parameters to allow for different numbers of candidates being tagged as mixed or unmixed, and other parameters to describe the tagging efficiencies for these backgrounds. As expected, the fitted values of these asymmetry parameters are consistent with zero within uncertainties. All tagging parameters, as well as the value for $\Delta m_{s}$, are constrained to be the same for the five decay modes. The result is $\Delta m_{s}$ = 17.768 $\pm$ 0.023 ${\rm\,ps^{-1}}$ (statistical uncertainty only). The likelihood profile was examined and found to have a Gaussian shape up to nine standard deviations. The decay time distributions for candidates tagged as mixed or unmixed are shown in Fig. 2, together with the decay time projections of the PDF distributions resulting from the fit. Figure 2: Decay time distribution for the sum of the five decay modes for candidates tagged as mixed (different flavour at decay and production; red, continuous line) or unmixed (same flavour at decay and production; blue, dotted line). The data and the fit projections are plotted in a signal window around the reconstructed $B^{0}_{s}$ mass of 5.32 – 5.55 ${\mathrm{\,Ge\kern-0.90005ptV\\!/}c^{2}}$. ## 8 Systematic uncertainties With respect to the first measurement of $\Delta m_{s}$ at LHCb [13] all sources of systematic uncertainties have been reevaluated. The dominant source is related to the knowledge of the absolute value of the decay time. This has two main contributions. First, the imperfect knowledge of the longitudinal ($z$) scale of the detector contributes to the systematic uncertainty. It is obtained by comparing the track-based alignment and survey data and evaluating the track distribution in the vertex detector. This results in 0.02% uncertainty on the decay time scale and thus an absolute uncertainty of $\pm 0.004{\rm\,ps^{-1}}$ on $\Delta m_{s}$. The second contribution to the uncertainty of the decay time scale comes from the knowledge of the overall momentum scale. This has been evaluated by an independent study using mass measurements of well-known resonances. Deviations from the reference values [27] are measured to be within 0.15%. However, since both the measured invariant mass and momentum enter the calculation of the decay time, this effect cancels to some extent. The resulting systematic on the decay time scale is evaluated from simulation to be 0.02%. This again translates to an absolute uncertainty of $\pm 0.004{\rm\,ps^{-1}}$ on $\Delta m_{s}$. The next largest systematic uncertainty is due to a possible bias of the measured decay time given by the track reconstruction and the selection procedure. This is estimated from simulated data to be less than about 0.2 fs, and results in $\pm 0.001{\rm\,ps^{-1}}$ systematic uncertainty on $\Delta m_{s}$. Various other sources contributing to the systematic uncertainty have been studied such as the decay time acceptance, decay time resolution, variations of the value of $\Delta\Gamma_{s}$, different signal models for the invariant mass and the decay time resolution, variations of the signal fraction and the fraction of $B^{0}_{s}\\!\rightarrow D^{\mp}_{s}K^{\pm}$ candidates. They are all found to be negligible. The sources of systematic uncertainty on the measurement of $\Delta m_{s}$ are summarized in Table 2. Table 2: Systematic uncertainties on the $\Delta m_{s}$ measurement. The total systematic uncertainty is calculated as the quadratic sum of the individual contributions. Source | Uncertainty [ps-1] ---|--- $z$-scale | 0.004 Momentum scale | 0.004 Decay time bias | 0.001 Total systematic uncertainty | 0.006 ## 9 Conclusion A measurement of the $B^{0}_{s}$-$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}$ oscillation frequency $\Delta m_{s}$ is performed using $B^{0}_{s}\\!\rightarrow D^{-}_{s}\pi^{+}$ decays in five different $D^{-}_{s}$ decay channels. Using a data sample corresponding to an integrated luminosity of 1.0 $\mbox{\,fb}^{-1}$ collected by LHCb in 2011, the oscillation frequency is found to be $\Delta m_{s}=17.768\pm 0.023\mathrm{~{}(stat)}\pm 0.006\mathrm{~{}(syst)}~{}\mathrm{ps}^{-1},$ in good agreement with the first result reported by the LHCb experiment [13] and the current world average, $17.69\pm 0.08~{}\mathrm{ps}^{-1}$ [27]. This is the most precise measurement of $\Delta m_{s}$ to date, and will be a crucial ingredient in future searches for BSM physics in $B^{0}_{s}$ oscillations. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are thankful for the computing resources put at our disposal by Yandex LLC (Russia), as well as to the communities behind the multiple open source software packages that we depend on. ## References * [1] LHCb collaboration, B. Adeva et al., Roadmap for selected key measurements of LHCb, arXiv:0912.4179 * [2] LHCb collaboration, R. Aaij, _et al._ , and A. Bharucha et al., Implications of LHCb measurements and future prospects, arXiv:1208.3355, to appear in Eur. Phys. J. C * [3] K. Lande et al., Observation of long-lived neutral V particles, Phys. Rev. 103 (1956) 1901 * [4] ARGUS collaboration, H. Albrecht et al., Observation of $B^{0}$ \- anti-$B^{0}$ mixing, Phys. Lett. B192 (1987) 245 * [5] D0 collaboration, V. Abazov et al., First direct two-sided bound on the $B^{0}_{s}$ oscillation frequency, Phys. Rev. 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arxiv-papers
2013-04-17T09:08:06
2024-09-04T02:49:44.542570
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, M. Benayoun, G.\n Bencivenni, S. Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M.\n van Beuzekom, A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T.\n Blake, F. Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W.\n Bonivento, S. Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T.\n Brambach, J. van den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton,\n N.H. Brook, H. Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S.\n Cadeddu, O. Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, D.\n Campora Perez, A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H.\n Carranza-Mejia, L. Carson, K. Carvalho Akiba, G. Casse, M. Cattaneo, Ch.\n Cauet, M. Charles, Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K.\n Ciba, X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, B.\n Couturier, G.A. Cowan, D.C. Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P.\n David, P.N.Y. David, I. De Bonis, K. De Bruyn, S. De Capua, M. De Cian, J.M.\n De Miranda, L. De Paula, W. De Silva, P. De Simone, D. Decamp, M. Deckenhoff,\n L. Del Buono, D. Derkach, O. Deschamps, F. Dettori, A. Di Canto, H. Dijkstra,\n M. Dogaru, S. Donleavy, F. Dordei, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya,\n F. Dupertuis, R. Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U. Egede, V.\n Egorychev, S. Eidelman, D. van Eijk, S. Eisenhardt, U. Eitschberger, R.\n Ekelhof, L. Eklund, I. El Rifai, Ch. Elsasser, D. Elsby, A. Falabella, C.\n F\\\"arber, G. Fardell, C. Farinelli, S. Farry, V. Fave, D. Ferguson, V.\n Fernandez Albor, F. Ferreira Rodrigues, M. Ferro-Luzzi, S. Filippov, M.\n Fiore, C. Fitzpatrick, M. Fontana, F. Fontanelli, R. Forty, O. Francisco, M.\n Frank, C. Frei, M. Frosini, S. Furcas, E. Furfaro, A. Gallas Torreira, D.\n Galli, M. Gandelman, P. Gandini, Y. Gao, J. Garofoli, P. Garosi, J. Garra\n Tico, L. Garrido, C. Gaspar, R. Gauld, E. Gersabeck, M. Gersabeck, T.\n Gershon, Ph. Ghez, V. Gibson, V.V. Gligorov, C. G\\\"obel, D. Golubkov, A.\n Golutvin, A. Gomes, H. Gordon, M. Grabalosa G\\'andara, R. Graciani Diaz, L.A.\n Granado Cardoso, E. Graug\\'es, G. Graziani, A. Grecu, E. Greening, S.\n Gregson, O. Gr\\\"unberg, B. Gui, E. Gushchin, Yu. Guz, T. Gys, C.\n Hadjivasiliou, G. Haefeli, C. Haen, S.C. Haines, S. Hall, T. Hampson, S.\n Hansmann-Menzemer, N. Harnew, S.T. Harnew, J. Harrison, T. Hartmann, J. He,\n V. Heijne, K. Hennessy, P. Henrard, J.A. Hernando Morata, E. van Herwijnen,\n E. Hicks, D. Hill, M. Hoballah, C. Hombach, P. Hopchev, W. Hulsbergen, P.\n Hunt, T. Huse, N. Hussain, D. Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik,\n P. Ilten, R. Jacobsson, A. Jaeger, E. Jans, P. Jaton, F. Jing, M. John, D.\n Johnson, C.R. Jones, B. Jost, M. Kaballo, S. Kandybei, M. Karacson, T.M.\n Karbach, I.R. Kenyon, U. Kerzel, T. Ketel, A. Keune, B. Khanji, O. Kochebina,\n I. Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L.\n Kravchuk, K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M.\n Kucharczyk, V. Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G.\n Lafferty, A. Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C.\n Langenbruch, T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees,\n R. Lef\\`evre, A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B.\n Leverington, Y. Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G.\n Liu, S. Lohn, I. Longstaff, J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H.\n Lu, D. Lucchesi, J. Luisier, H. Luo, F. Machefert, I.V. Machikhiliyan, F.\n Maciuc, O. Maev, S. Malde, G. Manca, G. Mancinelli, U. Marconi, R. M\\\"arki,\n J. Marks, G. Martellotti, A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M.\n Martinelli, D. Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev,\n Z. Mathe, C. Matteuzzi, E. Maurice, A. Mazurov, J. McCarthy, A. McNab, R.\n McNulty, B. Meadows, F. Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N.\n Minard, J. Molina Rodriguez, S. Monteil, D. Moran, P. Morawski, M.J. Morello,\n R. Mountain, I. Mous, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B.\n Muster, P. Naik, T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N.\n Neufeld, A.D. Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R.\n Niet, N. Nikitin, T. Nikodem, A. Nomerotski, A. Novoselov, A.\n Oblakowska-Mucha, V. Obraztsov, S. Oggero, S. Ogilvy, O. Okhrimenko, R.\n Oldeman, M. Orlandea, J.M. Otalora Goicochea, P. Owen, A. Oyanguren, B.K.\n Pal, A. Palano, M. Palutan, J. Panman, A. Papanestis, M. Pappagallo, C.\n Parkes, C.J. Parkinson, G. Passaleva, G.D. Patel, M. Patel, G.N. Patrick, C.\n Patrignani, C. Pavel-Nicorescu, A. Pazos Alvarez, A. Pellegrino, G. Penso, M.\n Pepe Altarelli, S. Perazzini, D.L. Perego, E. Perez Trigo, A. P\\'erez-Calero\n Yzquierdo, P. Perret, M. Perrin-Terrin, G. Pessina, K. Petridis, A.\n Petrolini, A. Phan, E. Picatoste Olloqui, B. Pietrzyk, T. Pila\\v{r}, D.\n Pinci, S. Playfer, M. Plo Casasus, F. Polci, G. Polok, A. Poluektov, E.\n Polycarpo, D. Popov, B. Popovici, C. Potterat, A. Powell, J. Prisciandaro, V.\n Pugatch, A. Puig Navarro, G. Punzi, W. Qian, J.H. Rademacker, B.\n Rakotomiaramanana, M.S. Rangel, I. Raniuk, N. Rauschmayr, G. Raven, S.\n Redford, M.M. Reid, A.C. dos Reis, S. Ricciardi, A. Richards, K. Rinnert, V.\n Rives Molina, D.A. Roa Romero, P. Robbe, E. Rodrigues, P. Rodriguez Perez, S.\n Roiser, V. Romanovsky, A. Romero Vidal, J. Rouvinet, T. Ruf, F. Ruffini, H.\n Ruiz, P. Ruiz Valls, G. Sabatino, J.J. Saborido Silva, N. Sagidova, P. Sail,\n B. Saitta, C. Salzmann, B. Sanmartin Sedes, M. Sannino, R. Santacesaria, C.\n Santamarina Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta,\n M. Savrie, D. Savrina, P. Schaack, M. Schiller, H. Schindler, M. Schlupp, M.\n Schmelling, B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune, R.\n Schwemmer, B. Sciascia, A. Sciubba, M. Seco, A. Semennikov, K. Senderowska,\n I. Sepp, N. Serra, J. Serrano, P. Seyfert, M. Shapkin, I. Shapoval, P.\n Shatalov, Y. Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V.\n Shevchenko, A. Shires, R. Silva Coutinho, T. Skwarnicki, N.A. Smith, E.\n Smith, M. Smith, M.D. Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza\n De Paula, B. Spaan, A. Sparkes, P. Spradlin, F. Stagni, S. Stahl, O.\n Steinkamp, S. Stoica, S. Stone, B. Storaci, M. Straticiuc, U. Straumann, V.K.\n Subbiah, S. Swientek, V. Syropoulos, M. Szczekowski, P. Szczypka, T. Szumlak,\n S. T'Jampens, M. Teklishyn, E. Teodorescu, F. Teubert, C. Thomas, E. Thomas,\n J. van Tilburg, V. Tisserand, M. Tobin, S. Tolk, D. Tonelli, S.\n Topp-Joergensen, N. Torr, E. Tournefier, S. Tourneur, M.T. Tran, M. Tresch,\n A. Tsaregorodtsev, P. Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, D.\n Urner, U. Uwer, V. Vagnoni, G. Valenti, R. Vazquez Gomez, P. Vazquez\n Regueiro, S. Vecchi, J.J. Velthuis, M. Veltri, G. Veneziano, M. Vesterinen,\n B. Viaud, D. Vieira, X. Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D.\n Voong, A. Vorobyev, V. Vorobyev, C. Vo\\ss, H. Voss, R. Waldi, R. Wallace, S.\n Wandernoth, J. Wang, D.R. Ward, N.K. Watson, A.D. Webber, D. Websdale, M.\n Whitehead, J. Wicht, J. Wiechczynski, D. Wiedner, L. Wiggers, G. Wilkinson,\n M.P. Williams, M. Williams, F.F. Wilson, J. Wishahi, M. Witek, S.A. Wotton,\n S. Wright, S. Wu, K. Wyllie, Y. Xie, F. Xing, Z. Xing, Z. Yang, R. Young, X.\n Yuan, O. Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C.\n Zhang, Y. Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Sebastian Wandernoth", "url": "https://arxiv.org/abs/1304.4741" }
1304.4839
# Non-commuting graphs of nilpotent groups Alireza Abdollahi Department of Mathematics, University of Isfahan, Isfahan 81746-73441, Iran; School of Mathematics, Institute for Research in Fundamental Sciences (IPM), P.O.Box 19395-5746 , Tehran, Iran. [email protected] and Hamid Shahverdi School of Mathematics, Institute for research in fundamental science (IPM), P.O. Box 19395-5746, Tehran, Iran. Iran. [email protected] ###### Abstract. Let $G$ be a non-abelian group and $Z(G)$ be the center of $G$. The non- commuting graph $\Gamma_{G}$ associated to $G$ is the graph whose vertex set is $G\setminus Z(G)$ and two distinct elements $x,y$ are adjacent if and only if $xy\neq yx$. We prove that if $G$ and $H$ are non-abelian nilpotent groups with irregular isomorphic non-commuting graphs, then $|G|=|H|$. ###### Key words and phrases: Non-commuting graph; nilpotent groups; graph isomorphism; groups with abelian centralizers ###### 2000 Mathematics Subject Classification: 20D15; 20D60 ## 1\. Introduction and results Let $G$ be a non-abelian group and $Z(G)$ be its center. The non-commuting graph $\Gamma_{G}$ of $G$ is a graph whose vertex set is $G\setminus Z(G)$ and two vertices $x$ and $y$ are adjacent if and only if $xy\neq yx$. The non- commuting graph of a group was first considered by Paul Erdős in 1975 [7]. Many people have studied the non-commuting graph (e.g., [1, 2, 3, 9, 10]). In [2] the following conjecture was put forward: ###### Conjecture 1.1 (Conjecture 1.1 of [2]). Let $G$ and $H$ be two finite non-abelian groups such that $\Gamma_{G}\cong\Gamma_{H}$. Then $|G|=|H|$. Conjecture 1.1 was refuted by an example due to Isaacs in [6], however it is valid whenever one of $G$ or $H$ is a non-abelian finite simple group [3] or whenever one of $G$ or $H$ has prime power order [1]. The counterexample given in [6] is a pair $(G,H)$ of nilpotent non-abelian groups with regular non- commuting graph; recall that a graph is called regular if the degree of all vertices are the same, otherwise the graph is called irregular. It follows from a result of Ito [5] that a finite group with a regular non-commuting graph is a direct product of a non-abelian $p$-group for some prime $p$ and an abelian group. Here we study pairs $(G,H)$ of non-abelian finite groups which provide a counterexample to Conjecture 1.1. It follows from the main result of [1], that if a pair $(G,H)$ provides a counterexample then none of $G$ and $H$ are of prime power order. Here we prove that if a pair of non-abelian finite nilpotent groups provides a counterexample for Conjecture 1.1 then their non- commuting graphs must be regular. ###### Theorem 1.2. Let $G$ and $H$ be two finite non-abelian nilpotent groups with irregular non- commuting graphs such that $\Gamma_{G}\cong\Gamma_{H}$. Then $|G|=|H|$. We conjecture that the word “nilpotent” in Theorem 1.2 is sufficient for one of the groups $G$ and $H$. ## 2\. Non-commuting graphs of nilpotent groups A non-abelian group is called an $AC$-group if the centralizer of every non- central element is abelian. For a group $G$ and an element $g\in G$, $g^{G}$ denotes the conjugacy class of $g$ in $G$. ###### Lemma 2.1. Let $G$ and $H$ be two finite non-abelian groups. If $\phi:\Gamma_{G}\rightarrow\Gamma_{H}$ is a graph isomorphism and $g$ is a non-central element of $G$, then the following hold: 1. (1) $|G|-|Z(G)|=|H|-|Z(H)|$. 2. (2) $|G|-|C_{G}(g)|=|H|-|C_{H}(\phi(g))|$. 3. (3) $|C_{G}(g)|-|Z(C_{G}(g))|=|H|-|Z(C_{H}(\phi(g)))|$, where $C_{G}(g)$ is not abelian. 4. (4) If $C_{G}(g)$ is not abelian, then $\Gamma_{C_{G}(g)}\cong\Gamma_{C_{H}(\phi(g))}$. 5. (5) Suppose that $C_{1}=C_{G}(g_{1})$ and $C_{i}=C_{C_{i-1}}(g_{i})$ for $i\geq 2$, where $g_{1}\in G\setminus Z(G)$ and $g_{i}\in C_{i-1}\setminus Z(C_{i-1})$. Then there exists $k\in\mathbb{N}$ such that $C_{k}$ is an $AC$-group. 6. (6) $|G|=|H|$ if and only if $|C_{G}(g)|=|C_{H}(\phi(g))|$ if and only if $|Z(G)|=|Z(H)|$. ###### Proof. It is straightforward. To prove (5), note that if the centralizer $C_{i}$ is not an $AC$-group, then some proper centralizer in $C_{i}$ is not abelian guaranteeing the existence of an element $g_{i+1}$. On the other hand, $G$ is finite so the series $C_{1}>C_{2}>\cdots>C_{i}>\cdots$ will eventually terminate in an $AC$-group. ∎ ###### Lemma 2.2 (see e.g. Theorem 2.1 of [1]). Let $G$ be a finite non-abelian group and $H$ be a group such that $\Gamma_{G}\cong\Gamma_{H}$. Then the following hold: 1. (1) $|C_{H}(h)|$ divides $(|g^{G}|-1)(|Z(G)|-|Z(H)|)$ for any $g\in G\setminus Z(G)$ and $h=\phi(g)$, where $\phi$ is any graph isomorphism from $\Gamma_{G}$ to $\Gamma_{H}$. 2. (2) If $|Z(G)|\geq|Z(H)|$ and $G$ contains a non-central element $g$ such that ${|C_{G}(g)|}^{2}\geq|G|\cdot|Z(G)|$, then $|G|=|H|$. We need the following result concerning a number theoretic conjecture due to Goormaghtigh. ###### Theorem 2.3 (see e.g. Theorem 1.3 of [4]). Let $x,y,m,n$ be integers such that $y>x>1$ and $m,n>1$. Then the following equation has at most one pair $(m,n)$ of solution for every fixed pair $(x,y)$: $\frac{y^{n}-1}{y-1}=\frac{x^{m}-1}{x-1}.$ ###### Theorem 2.4. Let $G$ be a nilpotent group with at least two distinct non-abelian Sylow subgroups. Suppose also that $H$ is any non-abelian group such that $|Z(G)|\geq|Z(H)|$ and $\Gamma_{G}\cong\Gamma_{H}$. Then $|G|=|H|$. ###### Proof. Suppose $G=P\times Q\times S$, where $P$ and $Q$ are non-abelian Sylow $p$, $q$-subgroups of $G$ such that $p\neq q$ and $S$ is a subgroup of $G$. If $x\in P\setminus Z(P)$ and $y\in Q\setminus Z(Q)$, then $|Z(G)|<|C_{P}(x)||C_{Q}(y)||S|$. Therefore $|G||Z(G)|<|C_{P}(x)||C_{Q}(y)||P||Q||S|^{2}=|C_{G}(x)||C_{G}(y)|.$ It follows that $|G||Z(G)|<\max\\{|C_{G}(x)|^{2},|C_{G}(y|^{2}\\}.$ Now, Lemma 2.2(2) completes the proof. ∎ ###### Corollary 2.5. Let $G$ and $H$ be two nilpotent groups each of which have at least two non- abelian Sylow subgroups. If $\Gamma_{G}\cong\Gamma_{H}$, then $|G|=|H|$. Both groups $G$ and $H$ in the counterexample of Conjecture 1.1 due to Isaacs in [6] have the same shape, that is, they are direct products of a non-abelian group of prime power order $P$ and a non-trivial abelian group $A$ such that $\gcd(|P|,|A|)=1$ and all non-trivial conjugacy class sizes of $G$ or $H$ have equal order. The latter property was first studied by Ito [5] and we want to prove Theorem 1.2 for all nilpotent groups except those satisfying the latter shape. ## 3\. Proof of Theorem 1.2 Now, we prove Theorem 1.2 in four cases. In this section $G$ and $H$ are finite non-abelian nilpotent groups with irregular non-commuting graphs and $\phi:\Gamma_{G}\rightarrow\Gamma_{H}$ is a graph isomorphism. By Corollary 2.5, we may assume that $G$ has exactly one non-abelian Sylow subgroup. If $G$ is of prime power order, the main result of [1] implies that $|G|=|H|$. Thus we may assume $G=P\times A$, where $P$ is a non-abelian Sylow $p$-subgroup of $G$ and $A$ is a non-trivial abelian subgroup whose order is prime to $p$. Also, set $|P|=p^{n}$ and $|Z(P)|=p^{r}$. Case (a): $H=P_{1}\times B$ for some non-abelian Sylow $p$-subgroup $P_{1}$ of $H$ and for some non-trivial abelian subgroup $B$ of $H$. We use the following notation: $|P_{1}|=p^{m}$, $|Z(P_{1})|=p^{s}$ and $\phi(g_{i})=h_{i}$, where $g_{1},\dots,g_{k}$ are non-central elements of $G$ chosen from conjugacy classes of $G$ with pairwise distinct sizes such that $|{g_{i}}^{G}|=p^{a_{i}}$ and $|{h_{i}}^{H}|=p^{b_{i}}$ and $a_{1}<\dots<a_{k}$ and $b_{1}<\dots<b_{k}$. Notice that $k\geq 2$, since $\Gamma_{G}$ and $\Gamma_{H}$ are irregular. Since $\Gamma_{G}\cong\Gamma_{H}$, (1) $|A|p^{r}(p^{n-r}-1)=|B|p^{s}(p^{m-s}-1)$ (2) $|A|p^{n-a_{i}}(p^{a_{i}}-1)=|B|p^{m-b_{i}}(p^{b_{i}}-1)$ for every $1\leq i\leq k$. Equation (1) implies that $r=s$ and equation (2) implies that $n-a_{i}=m-b_{i}$. Since $\Gamma_{G}$ is not regular, graph isomorphism implies that (3) $|A|(p^{n-a_{1}}-p^{n-a_{2}})=|B|(p^{m-b_{1}}-p^{m-b_{2}}).$ Therefore $|A|=|B|$. Now, equation (2) implies that $a_{1}=b_{1}$. Hence $|P|=|P_{1}|$. Case (b): $H=P_{1}\times X$, where $P_{1}$ is a non-abelian Sylow $p$-subgroup of $H$ and $X$ is an arbitrary group such that $\gcd(p,|X|)=1$. Suppose $H$ is a minimal counterexample. Also suppose by way of contradiction that $X$ is a non-abelian group. Then $P_{1}$ and $X$ are $AC$-group. Let $x\in X\setminus Z(X)$. Then $C_{H}(x)=P_{1}\times B$, where $B\subseteq X$ is an abelian subgroup of $X$. Therefore Case (a) implies that $|C_{H}(x)|=|C_{G}(\phi^{-1}(x))|$. Since $\Gamma_{G}\cong\Gamma_{H}$, we have $|G|=|H|$. Now, $|G|=|H|$ implies that $|P|=|P_{1}|$. Set $|C_{G}(\phi^{-1}(x))|=p^{n-\alpha}|A|$ for some integer $1<\alpha<n$. By graph isomorphism, we have $(p^{n}-p^{n-\alpha})|A|=p^{n}(|X|-|C_{X}(x)|).$ The largest $p$-power dividing the right-hand side of the equation is $\geq p^{n}$ and the left is $p^{n-\alpha}$. This is a contradiction. Hence $X$ is abelian and Case (a) completes the proof. Case (c): $H=Q_{1}\times X$, where $Q_{1}$ is a Sylow $q_{1}$-subgroup of $H$ and $X$ is a non-abelian nilpotent group. If $p=q_{1}$, then Case (b) completes the proof. We claim that $p\neq q_{1}$ is not possible. Let $H$ be a minimal counterexample. Therefore $Q_{1}$ and $X$ are $AC$-groups. By the characterization of $AC$-groups [8], a nilpotent $AC$-group is a direct product of a non-abelian group of prime power order and an abelian group. Therefore $X=Q_{2}\times B$, where $Q_{2}$ is a non-abelian $q_{2}$-group for some prime $q_{2}$, $B$ is an abelian group and $\gcd(|Q_{2}|,|B|)=1$. Let $h_{i}\in Q_{i}\setminus Z(Q_{i})$ for $i\in\\{1,2\\}$. Also, set $\phi^{-1}(h_{i})=g_{i}$ for $i\in\\{1,2\\}$ and $|C_{G}(g_{i})|=|A|p^{n-{a_{i}}}$, where $1<a_{i}<n$. If $q_{2}=p$, then again Case (b) implies that $Q_{1}\times B$ is an abelian group. This is a contradiction. Therefore $p\neq q_{1},q_{2}$. We have $C_{H}(h_{1})=C_{Q_{1}}(h_{1})\times Q_{2}\times B$ and $C_{H}(h_{2})=Q_{1}\times C_{Q_{2}}(h_{2})\times B$ and $Z(C_{H}(h_{1}))=C_{Q_{1}}(h)\times Z(Q_{2})\times B$ and $Z(C_{H}(h_{2}))=Z(Q_{1})\times C_{Q_{2}}(h_{1})\times B$. So $Z(H)\subsetneqq Z(C_{H}(h_{i}))$. Therefore graph isomorphism implies that $Z(G)\subsetneqq Z(C_{G}(g_{i}))$. Set $|Z(C_{G}(g_{i}))|=|A|p^{d_{i}}$ for $i\in\\{1,2\\}$ and $|Z(G)|=|A|p^{r}$. It is clear that $d_{i}>r$. Now, $\Gamma_{G}\cong\Gamma_{H}$ and $\Gamma_{C_{G}(g_{i})}\cong\Gamma_{C_{H}(h_{i})}$ for $i\in\\{1,2\\}$ imply that (4) $|C_{H}(h_{2})|-|Z(C_{H}(h_{2}))|=(|Q_{1}|-|Z(Q_{1})|)|C_{Q_{2}}(h_{2})||B|=|A|(p^{n-a_{2}}-p^{d_{2}})$ (5) $|Z(C_{H}(h_{1}))|-|Z(H)|=(|C_{Q_{1}}(h_{1})|-|Z(Q_{1})|)|Z(Q_{2})||B|=|A|(p^{d_{1}}-p^{r})$ (6) $|H|-|C_{H}(h_{1})|=(|Q_{1}|-|C_{Q_{1}}(h_{1})|)|Q_{2}||B|=|A|(p^{n}-p^{n-a_{1}}).$ Since $|B|(|Q_{1}|-|Z(Q_{1})|)=|B|(|Q_{1}|-|C_{Q_{1}}(h_{1})|)+|B|(|C_{Q_{1}}(h_{1})|-|Z(Q_{1})|)$, by equation (5) and (6) the largest $p$-power dividing the right-hand side of the latter equation is $p^{r}$ and by equation (4) the largest $p$-power dividing the left hand side is $p^{d_{2}}$. This is a contradiction. Case (d): $H=Q\times B$, where $Q$ is a non-abelian Sylow $q$-subgroup for some prime $q\neq p$ and $B$ is a non-trivial abelian subgroup. Suppose by way of contradiction that $|G|\neq|H|$. Since $\Gamma_{G}$ is not regular, there exist $g_{1},g_{2}\in G\setminus Z(G)$ such that $|g_{1}^{G}|=p^{a_{1}}\neq p^{a_{2}}=|g_{2}^{G}|$. Set $|Q|=q^{m}$, $|Z(Q)|=q^{s}$, $\phi(g_{i})=h_{i}$ for $i\in\\{1,2\\}$ and $|h_{i}^{H}|=q^{b_{i}}$. Since $\Gamma_{G}\cong\Gamma_{H}$, (7) $|A|(p^{n}-p^{r})=|B|(q^{m}-q^{s})$ (8) $|A|(p^{n-a_{i}}-p^{r})=|B|(q^{m-b_{i}}-q^{s}).$ If $u=\gcd(a_{1},a_{2},n-r)$ and $v=\gcd(b_{1},b_{2},m-s)$, by considering equations (7) and (8) and taking greatest common divisors, we have (9) $|A|p^{r}(p^{u}-1)=|B|q^{s}(q^{v}-1).$ Now, by dividing equations (7) and (9), we have (10) $\frac{p^{n-r}-1}{p^{u}-1}=\frac{q^{m-s}-1}{q^{v}-1}$ and by dividing equations (8) and (9), we have (11) $\frac{p^{n-a_{i}-r}-1}{p^{u}-1}=\frac{q^{m-b_{i}-s}-1}{q^{v}-1}.$ Note that it is not possible that $n-a_{1}-r=u=n-a_{2}-r$, since $a_{1}\neq a_{2}$. Now, Theorem 2.3 and equation (10) and (11) yield a contradiction. $\hfill\Box$ Acknowledgments The authors are grateful to the referee for his/her invaluable comments. The first author was financially supported by the Center of Excellence for Mathematics, University of Isfahan. This research was in part supported by grants IPM (No. 91050219) and IPM (No. 91200045). ## References * [1] A. Abdollahi, S. Akbari, H. Dorbidi and H. Shahverdi, _Commutativity pattern of non-abelian $p$-groups determine their orders_, Comm. Algebra, 41 (2013) 451-461. * [2] A. Abdollahi, S. Akbari and H. R. Maimani, _Non-commuting graph of a group_ , J. Algebra, 298 (2006) 468-492. * [3] M.R. Darafsheh, _Groups with the same non-commuting graph_ , Discrete Appl. Math., 157 no. 4 (2009) 833-837. * [4] B. He and A. Togbe, _On the number of solutions of Goormaghtigh equation for given $x$ and $y$_, Indag. Mathern. N.S., 19 no. 1 (2008) 65-72. * [5] N. Ito, _On finite groups with given conjugate types_ , Nagoya Math. J., 6 (1953) 17-28. * [6] A. R. Moghaddamfar, _About noncommuting graphs_ , Siberian Math. J., 47 no. 5 (2005) 1112-1116. * [7] B.H. Neumann, _A problem of Paul Erdős on groups_ , J. Aust. Math. Soc. Ser. A, 21 (1976) 467-472. * [8] R. Schmidt, _Zenralisatorverbande endlicher gruppen_ , Rend. Sem. Mat. Univ. Padova, 44 (1975) 55-75. * [9] R. Solomon and A. Woldar, _Simple non-abelian groups are characterized by their non-commuting graph_ , preprint 2012. * [10] L. Wang and W. Shi. _A new characterization of $A_{10}$ by its non-commuting graph_, Comm. Algebra, 36 (2008) 533-540.
arxiv-papers
2013-04-17T14:31:39
2024-09-04T02:49:44.549917
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Alireza Abdollahi and Hamid Shahverdi", "submitter": "Alireza Abdollahi", "url": "https://arxiv.org/abs/1304.4839" }
1304.4924
# On the push-out spaces M. Fathy University of Applied Science and Technology of East Azarbayjan Cooperation, Tabriz, Iran [email protected] and M. Faghfouri University of Tabriz, Tabriz, Iran [email protected] ###### Abstract. Let $f:M^{m}\longrightarrow\mathbb{R}^{m+k}$ be an immersion where $M$ is a smooth connected $m$-dimensional manifold without boundary. Then we construct a subspace $\Omega(f)$ of $\mathbb{R}^{k}$, namely push-out space. which corresponds to a set of embedded manifolds which are either parallel to $f$, tubes around $f$ or, ingeneral, partial tubes around $f$. This space is invariant under the action of the normal holonomy group, $\mathcal{H}ol(f)$. Moreover, we construct geometrically some examples for normal holonomy group and push-out space in ${\mathbb{R}}^{3}$. These examples will show that properties of push-out space that are proved in the case $\mathcal{H}ol(f)$ is trivial, is not true in general. ###### Key words and phrases: Singular points, Normal holonomy group, push-out space. ###### 1991 Mathematics Subject Classification: 53C40, 53C42. ## 1\. Introduction In this paper we introduce push-out space for an immersion $f:M^{m}\longrightarrow\mathbb{R}^{m+k}$, where $M$ is a smooth connected $m$-dimensional manifold without boundary. To do this, we give some examples in 3-dimensional Euclidean space, $\mathbb{R}^{3}$, infact, in these examples we calculate normal holonomy group and push-out space geometrically. We consider the case when $\mathcal{H}ol(f)$ is non-trivial. This extends the work of Carter and Senturk [2], who obtained results about the case when $\mathcal{H}ol(f)$ is trivial. In these examples we show that some of the properties of push-out space which they obtained is not true for the case when $\mathcal{H}ol(f)$ is non-trivial. ## 2\. Basic definitions ###### Definition 2.1 ([2]). Let $f:M^{m}\longrightarrow\mathbb{R}^{m+k}$ be a smooth immersion where $M$ is a smooth connected $m$-dimensional manifold without boundary. The total space of the normal bundle of $f$ is defined by $N(f)=\\{(p,x)\in M\times\mathbb{R}^{m+k}:<x,v>=0\quad\forall v\in f_{*}T_{p}(M)\\}$ The endpoint map $\eta:N(f)\longrightarrow\mathbb{R}^{m+k}$ is defined by $\eta(p,x)=f(p)+x$ and, the set of singular points of $\eta$ is subset $\Sigma(f)\subset N(f)$ called the set of critical normals of $f$ and the set of focal points of $\eta$ is a subset $\eta({\Sigma(f)})\subset\mathbb{R}^{m+k}$. For $p\in M$, we put $N_{p}(f)=\\{x:(p,x)\in N(f)\\}$ and ${\Sigma}_{p}(f)=\\{x:(p,x)\in\Sigma(f)\\}$ respectively, normal space at $p$ and the set can be thought of as focal points with base $p$. ###### Definition 2.2 ([1]). For $p_{0}\in M$ and $p\in M$ and path $\gamma:[0,1]\longrightarrow M$ from $p_{0}$ to $p$ define $\varphi_{p,\gamma}:N_{p_{0}}(f)\longrightarrow N_{p}(f)$ by parallel transport along $\gamma$. The $\varphi_{p,\gamma}$’s are isometries. The normal holonomy group on $N_{p_{0}}(f)$, is $\mathcal{H}ol(f)=\\{\varphi_{p_{0},\gamma}:\gamma:[0,1]\longrightarrow M,\quad\gamma(0)=\gamma(1)=p_{0}\\}$ If the closed path $\gamma$ at $p_{0}$ is homotopically trivial then $\varphi_{p_{0},\gamma}$ is an element of the restricted normal holonomy group ${\mathcal{H}ol}_{0}(f)$. ###### Definition 2.3 ([3]). For a fix $p_{0}\in M$ the push-out space for an immersion $f:M^{m}\longrightarrow\mathbb{R}^{m+k}$ is defined by $\Omega(f)=\\{x\in N_{p_{0}}(f):\forall p\in M,\forall\gamma\mbox{ s.t. }\gamma(0)=p_{0},\gamma(1)=p\mbox{ then }\varphi_{p,\gamma}x\notin\Sigma_{p}(f)\\}$ (i.e. $\forall p\in M$, $f(p)+\varphi_{p,\gamma}(x)$ is not a focal point with base $p$ when $x$ belongs to $\Omega(f)$). Therefore $\Omega(f)$ is the set of normals at $p_{0}$, where transported parallely along all curves, do not meet focal points. So $\Omega(f)$ is invariant under the action of $\mathcal{H}ol(f)$. ###### Definition 2.4 ([4]). Let $B\subset N(f)$ be a smooth subbundle with type fiber S where 1) S is a smooth submanifold of $\mathbb{R}^{k}$ 2) $B\cap\Sigma(f)=\emptyset$ 3) B is invariant under parallel transport (along any curve in M). Then B is a smooth manifold and $g\equiv\eta|_{B}:B\longrightarrow\mathbb{R}^{m+k}$ is a smooth immersion called a partial tube about f. ###### Theorem 2.5 ([2]). Let $\mathcal{H}ol(f)$ is trivial and $M$ be a compact manifold. Then each path-connected component of $\Omega(f)$ is open in $\mathbb{R}^{k}$. ###### Theorem 2.6 ([2]). Let $\mathcal{H}ol(f)$ is trivial then Each path-connected component of $\Omega(f)$ is convex. ###### Remark 2.7. In Example 3.2, if $\frac{\alpha}{\pi}$ is irrational then $\Omega(\bar{f})$ is not open in $\mathbb{R}^{2}$ but $M=\mathbb{S}^{1}$ is compact. Also, in Example 3.5, $\Omega({f})=\\{O\\}$ hence $\Omega({f})$ is closed in $\mathbb{R}^{2}$ but $\mathcal{H}ol(f)$ is trivial. This shows that Theorem 2.5 is false when M is not compact or $\mathcal{H}ol(f)$ is non-trivial. ###### Remark 2.8. In Example 3.6 one of path-connected components of $\Omega(f)$, which is the complement space of cone and two other components in $\mathbb{R}^{3}$, is not convex. This shows that Theorem 2.6 is false when $\mathcal{H}ol(f)$ is non- trivial. we conclude that the properties of push-out space that are proved in the case $\mathcal{H}ol(f)$ is trivial, is not true in general. ## 3\. Examples of normal holonomy groups and push-out spaces ###### Example 3.1. We start with a curve as below suppose this curve is given by $s\mapsto(\xi(s),\eta(s))$ where $s\in[0,1]$ and at $(1,0,0)$:$s=0$ ,${\frac{\partial\xi}{\partial s}}=1,({\frac{\partial}{\partial s}})^{r}\eta=0$ for all $r\geq 0$ and at $(0,1,0)$:$s=1$,${\frac{\partial\eta}{\partial s}}=1,({\frac{\partial}{\partial s}})^{r}\xi=0$ for all $r\geq 0$. Now,we take this curve in $\mathbb{R}^{3}$ and consider the same curves in $yz$-plane and $xz$-plane and fit together to make a smooth closed curve in $\mathbb{R}^{3}$.Now by identifying $\mathbb{S}^{1}$ with $\frac{\mathbb{R}}{3\mathbb{Z}}$, the curve in $\mathbb{R}^{3}$ can be redefined as $f:\mathbb{S}^{1}\longrightarrow\mathbb{R}^{3}$ where: $f(s)=\left\\{\begin{array}[]{cc}(\xi(s),\eta(s),0)\qquad\quad\quad 0\leq s\leq 1\\\ (0,\xi(s-1),\eta(s-1))\quad 1\leq s\leq 2\\\ (\eta(s-2),0,\xi(s-2))\quad 2\leq s\leq 3\\\ \end{array}\right.$ To find the normal holonomy group of the above curve, we will consider normal vector to the curve under parallel transport. As each part of the curve lies in a 2-plane, the normal plane at a point of the curve is spanned by the perpendicular direction to the 2-planes. Step1.Start with the normal vector at (1,0,0), in the diagram, it stays in the xy-plane under parallel transport. The normal vector (0,1,0) at (1,0,0) goes to normal vector (-1,0,0)at (0,1,0). Step2.At (0,1,0)the the normal vector (-1,0,0) is perpendicular to the yz- plane, it stays perpendicular to the yz-plane under parallel transport form (0,1,0) to (0,0,1). The normal vector (-1,0,0)at(0,1,0) goes to normal vector(-1,0,0) at (0,0,1). Step3.The the normal vector (-1,0,0) is in the xz-plane at (0,0,1) and stays in the xz-plane from (0,0,1) to (1,0,0). The normal vector (-1,0,0,) at (1,0,0) by going once around the curve the normal vector will turn about $\frac{\pi}{2}$. Going around of curve again, the normal vector moves through another $\frac{\pi}{2}$ and after four times around the curve back to its original position. this shows that $\mathcal{H}ol(f)$ is generated by a rotation through $\frac{\pi}{2}$. Now we find the push-out space of $f$. Except at end-points of three areas, locally the curve lies in a 2-plane so the focal points with base $s$,$f(s)+\Sigma_{s}(f)$, consists of a straight line through the center of curvature, $c(s)$, of the curve at $s$, perpendicular to the line joining $c(s)$ and $f(s)$. At end-points of three areas, and possibly some other points, the focal set is empty as the center of curvature ”at infinity”. so $\Sigma_{s}(f)$ is a line in $N_{s}(f)$. The image of $\Sigma_{s}(f)$ under normal holonomy group is obtained by rotating it through $\frac{\pi}{2}$ until it returns to the original position. Now, fix the normal plane $N_{s_{0}}(f)$ at $f(S_{0})=(1,0,0)$ where $s_{0}=0$ and use parallel transport to identify all the normal planes with the normal plane $N_{s_{0}}(f)$. The push-out space is complement of all the $\Sigma_{s}(f)$ and their images under normal holonomy group. Therefore the push-out space of $f:\mathbb{S}^{1}\longrightarrow\mathbb{R}^{3}$ is an open square $Q$ with sides of length $2\rho$ where $\rho$ is the minimum absolute value of the radius of curvature of the original curve in the xy-plane. (i.e. $\Omega(f)$)is the interior of the smallest square on $N_{s_{0}}(f)$.) ###### Example 3.2. We consider the immersion $\bar{f}$ as in Example 3.1 except that the xz-plane is tilted through an angle $\alpha$. In other words, $\bar{f}=Lof$ where f is the immersion in example 3.1 and $L$ is the linear transformation given by $L=\left(\begin{array}[]{ccc}1&0&0\\\ 0&1&\tan\alpha\\\ 0&0&1\\\ \end{array}\right)$ where $0<\alpha<\frac{\pi}{2}$. So, we have $\bar{f}(s)=\begin{cases}(\xi(s),\eta(s),0)&0\leq s\leq 1\\\ (0,\xi(s-1)+\eta(s-1)\tan{\alpha},\eta(s-1))&1\leq s\leq 2\\\ (\eta(s-2),\xi(s-2)\tan{\alpha},\xi(s-2))&2\leq s\leq 3\end{cases}$ The end-points of three areas of this immersion are (1,0,0),(0,1,0) and (0,$\tan\alpha$,1). Note that at these points the tangent to the curve is the radial line form (0,0,0) so unit tangent at (1,0,0) is (1,0,0)and unit tangent at (0,$\tan\alpha$,1) is $\frac{(0,\tan\alpha,1)}{\sqrt{1+\tan^{2}\alpha}}$ etc. As in Example 3.1, under parallel transport, the normal vector (0,1,0) at (1,0,0) goes to the normal vector (-1,0,0) at (0,1,0), which goes to the normal vector (-1,0,0) at (0,$\tan\alpha$,1), which goes to the normal vector$\frac{(0,\tan\alpha,1)}{\sqrt{1+\tan^{2}\alpha}}$ at (1,0,0). So going once around the curve the normal vector has moved through $\frac{\pi}{2}-\alpha$. This shows that $\mathcal{H}ol(\bar{f})$ is generated by a rotation through $\frac{\pi}{2}-\alpha$ As in Example 3.1, the image of $\Sigma_{s}(\bar{f})$ under normal holonomy group is obtained by rotating the line $\Sigma_{s}(\bar{f})$ through $\frac{\pi}{2}-\alpha$. It depends on $\alpha$ and is obtained as: If $R$ is the rotating through an angle $\frac{\pi}{2}-\alpha$ then $\Omega({\bar{f}})=\bigcap\\{(R)^{n}Q:n\in\mathbb{Z}\\}$ where Q is a square as in Example 3.1, thus if $\frac{\alpha}{\pi}$ is rational then $(R)^{n}(\Sigma_{s}(\bar{f}))=\Sigma_{s}(\bar{f})$ for some $n\in\mathbb{Z}$ and so,$\Omega({\bar{f}})$ is the interior of the smallest polygon. If $\frac{\alpha}{\pi}$ is irrational then $(R)^{n}(\Sigma_{s}(\bar{f}))\neq\Sigma_{s}(\bar{f})$ for any $n\in\mathbb{Z}$ and so,$\Omega({\bar{f}})$ is an open disk of radius $\rho$ together with a dense set of points on the boundary circle where $\rho$ is minimum absolute value of the radius of curvature of the immersed curve by $\bar{f}$. ###### Example 3.3. In Example 3.2, we replace the immersion $\bar{f}$ with the immersion $\bar{f}oh$ where $h:\mathbb{R}\longrightarrow\mathbb{S}^{1}\equiv\frac{\mathbb{R}}{3\mathbb{Z}}$ is covering projection. Since ${\mathbb{R}}$ is simply connected, for any arbitrary point $s\in{\mathbb{R}}$, any closed path at $s$ is nulhomotopic with constant path at $s$, hence definition 2.2 shows that, the normal holonomy group of $\bar{f}Oh$ is trivial (i.e.$\mathcal{H}ol(\bar{f}oh)=\mathcal{H}ol_{0}(\bar{f}oh)$ ). To calculate $\Omega(\bar{f}oh)$, we prove the theorem 3.4, in general. It will show that $\Omega(\bar{f}oh)=\Omega(\bar{f})$. ###### Theorem 3.4. Let $f:M^{m}\longrightarrow\mathbb{R}^{m+k}$ be an immersion and $\hat{M}$ be any covering space with covering projection $h:\hat{M}\longrightarrow M$. If $\hat{f}=foh$, then $\Omega(\hat{f})=\Omega({f})$. ###### Proof. Let $x\in\Omega({f})$ and fix $p_{0}\in M$. Then definition 2.3 implies that, $\forall p\in M,\forall\gamma$ s.t. $\gamma(0)=p_{0},\gamma(1)=p$; $\varphi_{p,\gamma}x\neq\Sigma_{p}(f).$ we define the total space of the normal bundle of $\hat{f}$ by $N(\hat{f})=\\{(\hat{p},x)\in\hat{M}\times\mathbb{R}^{m+k}:<x,v>=0\quad\forall v\in\hat{f}_{*}T_{\hat{p}}(\hat{M})\\}$ Also, for any $\hat{p}\in h^{-1}(p)$ we have $\displaystyle\hat{f}_{*}T_{\hat{p}}(\hat{M})$ $\displaystyle=(foh)_{*}T_{\hat{p}}(\hat{M})$ $\displaystyle=(f_{*}oh_{*})T_{\hat{p}}(\hat{M})$ $\displaystyle=f_{*}T_{p}(M)$ this shows that, for any $\hat{p}\in h^{-1}(p)$ we have $N_{\hat{p}}(\hat{f})=N_{p}(f)$ and so$\Sigma_{\hat{p}}(\hat{f})=\Sigma_{p}(f)$. Further, we fix$\hat{p_{0}}\in h^{-1}(p_{0})$ then $\hat{\varphi}_{\hat{p},\hat{\gamma}}=\varphi_{p,\gamma}$ where $\hat{\gamma}:[0,1]\longrightarrow\hat{M}$ s.t. $\hat{\gamma(0)}=\hat{p_{0}},\hat{\gamma}(1)=\hat{p}.$ Therefore,$\forall\hat{p}\in\hat{M},\forall\hat{\gamma}$; $\hat{\varphi}_{\hat{p},\hat{\gamma}}x\neq\Sigma_{\hat{p}}(\hat{f}).$ Now using definition 2.3 again, follows that, $x\in\Omega(\hat{f})$. By the same way proves that $\Omega(\hat{f})\subseteq\Omega(f)$. ∎ ###### Example 3.5. If $\frac{\pi}{2}-\alpha=\frac{2\pi}{n}$, then Example 3.3 can be modified by replacing h by the n-fold covering $\bar{h}:\mathbb{S}^{1}\longrightarrow\mathbb{S}^{1}$. Going once around the first $\mathbb{S}^{1}$ in $\bar{h}:\mathbb{S}^{1}\longrightarrow\mathbb{S}^{1}$ corresponds to moving n times around the second $\mathbb{S}^{1}$ so parallely transporting a normal n times around the second $\mathbb{S}^{1}$ which gives a rotation of $\displaystyle n(\frac{\pi}{2}-\alpha)$ $\displaystyle=n(\frac{2\pi}{n})$ $\displaystyle=2\pi$ i.e. the identity, so $\mathcal{H}ol(\bar{f}o\bar{h})=\mathcal{H}ol_{0}(\bar{f}o\bar{h})$. Since, the immersed curve by $\bar{f}o\bar{h}$ and the immersed curve by $\bar{f}$ have same figure in $\mathbb{R}^{3}$ and $\mathcal{H}ol(\bar{f}o\bar{h})$ is trivial so the singular sets of them also the same (i.e. $\Sigma(\bar{f}o\bar{h})=\Sigma(\bar{f})$). This implies that $\Omega(\bar{f}o\bar{h})=\Omega(\bar{f})$. ###### Example 3.6. We consider a sequence of curves $f_{n}$ in $\mathbb{R}^{3}$ defined as in Example 3.1 except that $||f_{n}(s)||$ and the curvature tends to infinity with n when $s=\frac{1}{2},\frac{3}{2}$ or $\frac{5}{2}$ but is bounded otherwise. Now, we define the immersion $f:\mathbb{R}\longrightarrow\mathbb{R}^{3}$ by $f(s\pm 3n)=f_{n}(s)$. When n tends to infinity, the immersion $f:\mathbb{R}\longrightarrow\mathbb{R}^{3}$ has a sequence of points where the curvature tends to infinity and the radius of curvature at these points can be arbitrary small; in other words, $\exists s$ where $\Sigma_{s}(f)$ is arbitrary close to ”O” in $N_{s}(f)$. So $\\{O\\}$ is the only point not in the image of $\Sigma_{s}(f)$ under normal holonomy group for all $s\in\mathbb{R}.$ Then $\Omega(f)=\\{O\\}$. In this case because $\mathbb{R}$ is simply connected then $\mathcal{H}ol(f)$ is trivial. The following results have been proved in [2], when $\mathcal{H}ol(f)$ is trivial. ###### Theorem 3.7. Let M be a compact manifold, then each path-connected component of $\Omega(f)$ is open in $\mathbb{R}^{k}$. ###### Theorem 3.8. Each path-connected component of $\Omega(f)$ is convex. ###### Remark 3.9. In Example 3.2, if $\frac{\alpha}{\pi}$ is irrational then $\Omega(\bar{f})$ is not open in $\mathbb{R}^{2}$ but $M=\mathbb{S}^{1}$ is compact. Also, in Example 3.5 $\Omega({f})=\\{O\\}$ so $\Omega({f})$ is closed in $\mathbb{R}^{2}$ but $\mathcal{H}ol(f)$ is trivial. This shows that Theorem 3.7 is false when M is not compact or $\mathcal{H}ol(f)$ is non-trivial. ###### Remark 3.10. In Example 3.6 one of the path-connected components of $\Omega(f)$, which is the complement space of cone and two other components in $\mathbb{R}^{3}$, is not convex. This shows that Theorem 3.8 is false when $\mathcal{H}ol(f)$ is non-trivial. Thus the properties of push-out space that are proved in the case $\mathcal{H}ol(f)$ is trivial, is not true in general. ## References * [1] J. Berndt, S. Console and C. Olmos, Submanifolds and Holonomy,Research Notes in Mathematics 434, CHAPMAN & HALL/CRC, 2003. * [2] S. Carter and Z. Senturk, The space of immersions parallel to a given immersion,J. London Math. Soc. (2) 50 (1994), 404-416. * [3] S. Carter, Z. Senturk and A. West, The push-out space of a submanifold, Geometry and Topology of submanifolds VI, (1994),50-57. * [4] S. Carter and A. West, partial tubes about immersed manifolds, Geom. Dedicata 54 (1995), 145-169.
arxiv-papers
2013-04-17T19:23:32
2024-09-04T02:49:44.556986
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Morteza Fathy and Morteza Faghfouri", "submitter": "Morteza Faghfouri", "url": "https://arxiv.org/abs/1304.4924" }
1304.5016
# Note on Bessel functions of type $A_{N-1}$. Béchir Amri (University of Tunis, Preparatory Institut of Engineer Studies of Tunis, Department of Mathematics, 1089 Montfleury Tunis, Tunisia [email protected] ) ###### Abstract Through the theory of Jack polynomials we give an iterative method for integral formula of Bessel function of type $A_{N-1}$ and a partial product formula for it. 111Key words and phrases: Dunkl operators, Heckman-Opdam polynomials, Jack polynomials. 2010 Mathematics Subject Classification: 33C52,33C67, 05E05. Author partially supported by DGRST project 04/UR/15-02 and CMCU program 10G 1503. ## 1 Introduction and backgrounds Dunkl operators which were first introduced by C. F. Dunkl [6] in the late 80ies are commuting differential-difference operators, associated to a finite reflection groups on a Euclidean space. Their eigenfunctions are called Dunkl kernels and appear as a generalization of the exponential functions. Although attempts were made to study them and except the reflection group $\mathbb{Z}_{2}^{N}$ the explicit forms or behaviors of these kernels are remain unknown. In the present work we will be concerned with generalized Bessel functions $J_{k}$ defined through symmetrization of Dunkl kernels in the case of the symmetric group $S_{N}$. We will obtain the following $\displaystyle J_{k}(\mu,\lambda)=\int_{\mathbb{R}^{N-1}}e^{\langle\mu,x\rangle}\delta_{k}(\lambda,x)dx.$ (1.1) where the function $\delta_{k}$ can be explicitly computed using a recursive formula on the dimension $N$. The key ingredient is the integral formula of A. Okounkov and G. Olshanski [10] for Jack polynomials. As the last are connected with Heckman-opdam-Jacobi polynomials [2] the formula (1.1) follow by limit transition. We should note here that when $N=3$, the formula (1.1) is comparable to that obtained by C. F. Dunkl [5] for intertwining operator. Let us start with some well-known facts about Heckman Opdam Jacobi polynomials, Jack polynomials and Dunkl kernels associated with a root system $R$. The standard references are [2, 4, 8, 11, 16, 15]. Here $\mathbb{R}^{N}$ is equipped with the usual inner product $\langle,\;.\;,\rangle$ and the canonical orthonormal basis $(e_{1},e_{2},...,e_{N})$. Further, we shall assume that $R$ is reduced and crystallographic, that is a finite subset of $\mathbb{R}^{N}\backslash\\{0\\}$ which satisfies: (i) $R$ spanned $\mathbb{R}^{N}$. (ii) $R$ is invariant under $r_{\alpha}$ the reflection in the hyperplane orthogonal to any $\alpha\in R$. (iii) $\alpha.\mathbb{R}\cap R=\\{\pm\alpha\\}$ for all $\alpha\in R$ (iii) for all $\alpha,\;\beta\in R$; $\langle\alpha,\breve{\beta}\rangle\in\mathbb{Z}$, $\breve{\beta}=\frac{2\beta}{\|\beta\|^{2}}$ We assume that the reader is familiar with the basics of root systems and their Weyl groups, see for examples Humphreys [9]. ### 1.a Heckman Opdam Jacobi polynomials. Let $R$ be a reduced root system with $\\{\alpha_{1},...,\alpha_{N}\\}$ be a basis of simple roots and $R_{+}$ be the set of positive roots determined by this basis. The fundamental weights $\\{\beta_{1},...,\beta_{N}\\}$ are given by $\langle\;\beta_{j},\;\check{\alpha}_{i}\;\rangle=\delta_{i,j}$, $\displaystyle{\check{\alpha_{i}}=\frac{2\alpha_{i}}{\|\alpha_{i}\|^{2}}}$. Let $\displaystyle Q=\bigoplus_{i=1}^{N}\mathbb{Z}\alpha_{i}$, $\displaystyle P=\bigoplus_{i=1}^{N}\mathbb{Z}\beta_{i}$, $\displaystyle Q^{+}=\bigoplus_{i=1}^{N}\mathbb{N}\alpha_{i}$ and $\displaystyle P^{+}=\bigoplus_{i=1}^{N}\mathbb{N}\beta_{i}$. We define a partial ordering on $P$ by $\lambda\preceq\mu$ if $\mu-\lambda\in Q^{+}$ The group algebra $\mathbb{C}[P]$ of the free Abelian group $P$ is the algebra generated by the formal exponentials $e^{\lambda}$, $\lambda\in P$ subject to the multiplication relation $e^{\lambda}e^{\mu}=e^{\lambda+\mu}$. The Weyl group W acts on $\mathbb{C}[P]$ by $we^{\lambda}=e^{w\lambda}$. The orbit-sums $\displaystyle m_{\lambda}=\sum_{\mu\in W.\lambda}e^{\mu}$, $\lambda\in P^{+}$ form a basis of $\mathbb{C}[P]^{W}$, the subalgebra of $W$-invariant elements of $\mathbb{C}[P]$. Here $W.\lambda$ denotes the W-orbit of $\lambda$. Let $\mathbb{T}=\mathbb{R}^{d}/2\pi\check{Q}$ where $\displaystyle\check{Q}=\bigoplus_{i=1}^{d}\mathbb{Z}\check{\alpha_{i}}$. The algebra $\mathbb{C}[P]$ can be realized explicitly as the algebra of polynomials on the torus $\mathbb{T}$ through the identification $e^{\lambda}(\dot{x})=e^{i\langle\lambda,x\rangle}$ where $\dot{x}\in\mathbb{T}$ is the image of $x\in\mathbb{R}^{d}$. Let $k:R\rightarrow[0,+\infty[$ be a $W$-invariant function, called multiplicity function. We equip $C[P]^{W}$ with the inner product $(f,g)_{k}=\int_{\mathbb{T}}f(x)\overline{g(x)}\delta_{k}(x)dx$ where $\delta_{k}=\prod_{\alpha\in R^{+}}\left|e^{\frac{\alpha}{2}}-e^{-\frac{\alpha}{2}}\right|^{2k_{\alpha}}$ and $dx$ is the Haar measure on $\mathbb{T}$. The Heckman Opdam Jacobi polynomials are introduced by Heckman and Opdam [8] as the unique family of elements $P_{\lambda}\in\mathbb{C}[P]^{W}$, $\lambda\in P^{+}$ satisfying the following conditions: * (i) $P_{\lambda}=m_{\lambda}+\sum_{\mu\prec\lambda}a_{\lambda\mu}m_{\mu}$ * (ii) $\langle P_{\lambda},m_{\mu}\rangle=0$ if $\mu\in P_{+}$, $\lambda\prec\mu$. ( Note that in [8], these polynomials are indexed by $-P_{+}$ instead of $P_{+}$ ). They form an orthogonal basis of $\mathbb{C}[P]^{W}$ and satisfy the second differential equation $\Big{(}\Delta+\sum_{\alpha\in R_{+}}k_{\alpha}\coth(\frac{1}{2}\langle x,\alpha\rangle)\partial_{\alpha}\Big{)}P_{\lambda}(x)=\langle\lambda,\lambda+\sum_{\alpha\in R_{+}}k_{\alpha}\alpha\rangle P_{\lambda}(x).$ where $\Delta$ is the Laplace operator on $\mathbb{R}^{N}$. The Cherednik operator $T_{\xi}$, $\xi\in\mathbb{R}^{N}$, associated with the root system $R$ and the multiplicity $k$ is defined by $T_{\xi}^{k}=\partial_{\xi}+\sum_{\alpha\in R_{+}}k_{\alpha}\langle\alpha,\;\xi\rangle\;\frac{1-r_{\alpha}}{1-e^{{}^{\alpha}}}-\langle\rho_{k},\;\xi\rangle,$ where $\displaystyle{\rho_{k}=\frac{1}{2}\sum_{\alpha\in R_{+}}k_{\alpha}\alpha}$. The hypergeometric function $F_{k}$ is defined as the unique holomorphic W-invariant function on $\mathbb{C}^{N}\times(\mathbb{R}^{N}+iU)$ ( U is a W-invariant neighborhood of $0$ ) which satisfies the system of differential equations: $p(T_{e_{1}},...T_{e_{N}})F_{k}(\lambda,.)=p(\lambda)F_{k}(\lambda,.);\qquad F(\lambda,0)=1$ for all $\lambda\in\mathbb{C}^{N}$ and all $W$-invariant polynomial $p$ on $\mathbb{R}^{N}$. The Heckman opdam Jacobi polynomials are related to the hypergeometric function $F_{k}$ by ( see [7] ) $\displaystyle F_{k}(\lambda+\rho_{k},x)=c(\lambda+\rho_{k})P_{\lambda}(x);\qquad\lambda\in P^{+},\;x\in\mathbb{R}^{N},$ (1.2) where the function $c$ is given on $\mathbb{R}^{N}$ by $\displaystyle c(\lambda)=\prod_{\alpha\in R^{+}}\frac{\Gamma(\langle\lambda,\check{\alpha}\rangle)\Gamma(\langle\rho,\check{\alpha}\rangle+k_{\alpha})}{\Gamma(\langle\lambda,\check{\alpha}\rangle+k_{\alpha})\Gamma(\langle\rho,\check{\alpha}\rangle)}.$ (1.3) ### 1.b Jack polynomials Let $k>0$, the symmetric group $S_{N}$ acts on the ring of polynomials $\mathbb{Q}(k)[x_{1},...,x_{N}]$ by $\tau p(x_{1},...,x_{N})=p(x_{\tau(1)},...,x_{\tau(N)})$ Let $\Lambda_{N}$ the subspace of symmetric polynomials, $\Lambda_{N}=\\{p\in\mathbb{C}[x_{1},...,x_{N}],\;\tau p=p,\;\forall\tau\in S_{N}\\}.$ We call partition all $\lambda=(\lambda_{1},...\lambda_{N})\in\mathbb{N}^{N}$ such that $\lambda_{1}\geq...\geq\lambda_{N}$. The weight of a partition $\lambda$ is the sum $|\lambda|=\lambda_{1}+...+\lambda_{N}$ and its length $\ell(\lambda)=\max\left\\{j;\;\lambda_{j}\neq 0\right\\}.$ The set of all partitions are partially ordered by the dominance order: $\lambda\leq\mu\Leftrightarrow|\lambda|=|\mu|\quad\text{ and}\quad\lambda_{1}+\lambda_{2}+...+\lambda_{i}\leq\mu_{1}+\mu_{2}+...+\mu_{i}$ for all $i=1,2,...,N$. The simplest basis of $\Lambda_{N}$ is given by the monomial symmetric polynomials, $m_{\lambda}(x)=\sum_{\mu\in S_{N}\lambda}x_{1}^{\mu_{1}}...x_{N}^{\mu_{N}}.$ We define an inner product on $\Lambda_{N}$ by $\langle f,g\rangle_{k}=\int_{T}f(z)\overline{g(z)}\prod_{i<j}|z_{i}-z_{j}|^{2k}dz$ where $T=\\{(z_{1},...,z_{N})\in\mathbb{C}^{N};|z_{j}|=1,\;\forall\;1\leq j\leq N\\}$ is the $N$-dimensional torus and $dz$ is the haar measure on $T$. Jack symmetric polynomials $j_{\lambda}$ indexed by a partitions $\lambda$ can be defined as the unique polynomials such that * (i) $j_{\lambda}=m_{\lambda}+\sum_{\mu\prec\lambda}m_{\mu}$, * (ii) $\langle j_{\lambda},m_{\mu}\rangle_{k}=0$ if $\lambda\leq\mu$. By a result of I. G. Macdonald ([13], p: 383 ) they form a family of orthogonal polynomials. Jack polynomials can be defined as eigenfunctions of certain Laplac-Beltrami type operator ( coming in the theory of Calogero integrable systems and in random matrix theory ), $L_{k}=\sum_{i=1}^{d}x_{i}^{2}\frac{\partial^{2}}{\partial x_{i}^{2}}+2k\sum_{i\neq j}\frac{x_{i}^{2}}{x_{i}-x_{j}}\frac{\partial}{\partial x_{i}}.$ Jack polynomials $j_{\lambda}$ are homogeneous of degree $|\lambda|$ and satisfy the compatibility relation $\displaystyle j_{(\lambda_{1},...,\lambda_{N-1},0)}(x_{1},...,x_{N-1},0)=j_{(\lambda_{1},...,\lambda_{N-1})}(x_{1},...,x_{N-1}).$ (1.4) The relationship between Heckman Opdam Jacobi polynomials and Jack polynomials can be illustrated as follows ( see [2] ): Let $\mathbb{V}$ be the hyperplane orthogonal to the vector $e=e_{1}+...+e_{N}$. In $V$ we consider the root system of type $A_{N-1}$, $R_{A}=\\{\pm(e_{i}-e_{j}),\;1\leq i<j\leq N\\}.$ The fundamental weights are given by $\pi_{N}(\omega_{i})$, $\omega_{i}=e_{1}+...+e_{i}$, where $\pi_{N}$ denote the orthogonal projection along $e$ onto V, $\pi_{N}(x)=x-\frac{1}{N}\left(\sum_{i=1}^{N}x_{i}\right)e=\left(x_{1}-\frac{1}{N}\left(\sum_{i=1}^{N}x_{i}\right),...,x_{N}-\frac{1}{N}\left(\sum_{i=1}^{N}x_{i}\right)\right)$ and then $P_{A}^{+}=\\{\pi_{N}(\lambda),\lambda\;\text{partition}\\}$. The result is that: $\displaystyle j_{\lambda}(e^{x})=P_{\pi_{N}(\lambda)}(x),$ (1.5) For all partition $\lambda$ and all $x\in\mathbb{V}$ with $e^{x}=(e^{x_{1}},...,e^{x_{N}})$. ### 1.c Dunkl kernels and Dunkl-Bessel functions The Dunkl operator $D_{\xi}$, $\xi\in\mathbb{R}^{N}$ associated with a root system $R$ and a multiplicity function $k$ is defined by $D_{\xi}=\partial_{\xi}+\sum_{\alpha\in R^{+}}k(\alpha)\langle\alpha,\xi\rangle\frac{1-r_{\alpha}}{\langle\alpha,.\rangle}.$ The Dunkl intertwining operator $V_{k}$ is the unique isomorphism on the polynomials space $\mathbb{C}[\mathbb{R}^{N}]$ such that $V_{k}(1)=1,\quad V_{k}(\mathcal{P}_{n})=\mathcal{P}_{n}\quad\text{and}\quad D_{\xi}V_{k}=V_{k}\partial_{\xi}$ where $\mathcal{P}_{n}$ is the subspace of homogeneous polynomials of degree $n\in\mathbb{N}$. For $r>0$ , $V_{k}$ extends to a continuous linear operator on the Banach space $A_{r}=\\{f=\sum_{n=0}^{\infty}f_{n},\;f_{n}\in\mathcal{P}_{n},\;\|f\|_{A_{r}}=\sum_{n=0}^{\infty}\sup_{|x|\leq r}|f_{n}(x)|<\infty\\}$ by $V_{k}(f)=\sum_{n=0}^{\infty}V_{k}(f_{n}).$ A remarkable result due to M. Rösler [14] says that for each $x\in\mathbb{R}^{N}$, $V_{k}(f)(x)=\int_{\mathbb{R}^{d}}f(\xi)d\mu_{x}(\xi)$ where $\mu_{x}$ is a probability measure supported in $co(x)$ the convex hull of the orbit W.x. The Dunkl kernel $E_{k}$ is given by $\displaystyle E_{k}(x,y)=V_{k}(e^{\langle\;.\;,\;y\;\rangle})(x)=\int_{\mathbb{R}^{d}}e^{\langle\xi,y\rangle}d\mu_{x}(\xi),\quad x\in\mathbb{R}^{N},\;y\in\mathbb{C}^{N}$ and having the following properties: * (i) For each $y\in\mathbb{C}^{N}$ the function $E_{k}(.,y)$ is the unique solution of eigenvalue problem: $D_{\xi}f(x)=\langle\xi,y\rangle f(x)\;\forall\;\quad\xi\in\mathbb{R}^{N}\;\text{and}\;f(0)=1.$ * (ii) $E_{k}$ extends to a holomorphic function on $\mathbb{C}^{N}\times\mathbb{C}^{N}$ and for all $(x,y)\in\mathbb{C}^{N}\times\mathbb{C}^{N}$, $w\in W$ and $t\in\mathbb{C}$: $E_{k}(x,y)=E_{k}(y,x),\quad E_{k}(wx,wy)=E_{k}(x,y)\quad\text{and}\quad E_{k}(x,ty)=E_{k}(tx,y)$ We define the Bessel function associated with $R$ and $k$ by, $\displaystyle J_{k}(x,y)=\frac{1}{|W|}\sum_{w\in W}E_{k}(x,wy).$ The limit transition between hypergeometric functions $F_{k}$ and Dunkl Bessel function is expressed by ( see (2.21) of [14] ) $\displaystyle J_{k}(x,y)=\lim_{n\rightarrow+\infty}F_{k}(nx+\rho_{k},\frac{y}{n})\;.$ (1.6) According to these preliminaries we can now formulate the main result of this note. ## 2 Integral formula for $J_{k}$ The starting point is the following remarkable integral identity obtained by [10] which connecting jack polynomials of $N$ variables to Jack polynomials of $N-1$ variables. For $\lambda=(\lambda_{1},...,\lambda_{N})\in\mathbb{R}^{N}$ we use the notation $|\lambda|=\lambda_{1}+...+\lambda_{N}$. ###### Proposition 1 ([10]). Suppose that the partition $\mu$ has less than $N$ parts and $\lambda\in\mathbb{R}^{N}$ such that $\lambda_{1}\geq...\geq\lambda_{N}$. Then $\displaystyle j_{\mu}(\lambda)=\frac{1}{U(\mu)V(\lambda)^{2k-1}}\int_{\lambda_{2}}^{\lambda_{1}}...\int_{\lambda_{N}}^{\lambda_{N-1}}j_{\mu}(\nu)V(\nu)\Pi(\lambda,\nu)d\nu$ (2.1) where $U(\mu)=\prod_{j=1}^{N-1}\beta(\mu_{j}+(N-j)k,k),\quad V(\lambda)=\prod_{1\leq i<j\leq N}(\lambda_{i}-\lambda_{j})$ and $\Pi(\lambda,\nu)=\prod_{i\leq j}(\lambda_{i}-\nu_{j})^{k-1}\prod_{i>j}(\nu_{j}-\lambda_{i})^{k-1}.$ We follow three simple steps that lead to our formula. All functions of $N$ variables will be indexed by $N$ and by $N-1$ if it considered as $N-1$ variables. Step 1: For any partition $\mu=(\mu_{1},...,\mu_{N})$ we set $\widetilde{\mu}=(\mu_{1}-\mu_{N},...,\mu_{N-1}-\mu_{N},0)\quad\text{and}\quad\overline{\mu}=(\mu_{1}-\mu_{N},...,\mu_{N-1}-\mu_{N})\in\mathbb{R}^{N-1}.$ By Homogeneity of Jack polynomials we have that $j_{\mu,N}(\lambda)=\left(\prod_{j=1}^{N}\lambda_{j}\right)^{\mu_{N}}j_{\widetilde{\mu},N}(\lambda)$ and from (2.1) and (1.4) we may write $j_{\mu,N}(\lambda)=\frac{\left(\prod_{j=1}^{N}\lambda_{j}\right)^{\mu_{N}}}{U_{N}(\widetilde{\mu})V_{N}(\lambda)^{2k-1}}\int_{\lambda_{2}}^{\lambda_{1}}...\int_{\lambda_{N}}^{\lambda_{N-1}}j_{\overline{\mu},N-1}(\nu)V(\nu)\Pi(\lambda,\nu)d\nu.$ Taking $\lambda$ in $\mathbb{V}$ and making use a change of variables we get that $\displaystyle j_{\mu,N}(e^{\lambda})$ $\displaystyle=$ $\displaystyle\frac{1}{U_{N}(\widetilde{\mu})V_{N}(e^{\lambda})^{2k-1}}\int_{\lambda_{2}}^{\lambda_{1}}...\int_{\lambda_{N}}^{\lambda_{N-1}}e^{|\nu|}j_{\overline{\mu},N-1}(e^{\nu})V_{N-1}(e^{\nu})\Pi_{N}(e^{\lambda},e^{\nu})d\nu$ $\displaystyle=$ $\displaystyle\frac{1}{U_{N}(\widetilde{\mu})V_{N}(e^{\lambda})^{2k-1}}\int_{\lambda_{2}}^{\lambda_{1}}...\int_{\lambda_{N}}^{\lambda_{N-1}}e^{|\nu|(1+\frac{|\overline{\mu}|}{N-1})}j_{\overline{\mu},N-1}(e^{\pi_{N-1}(\nu)})V_{N-1}(e^{\nu})\Pi_{N}(e^{\lambda},e^{\nu})d\nu.$ In order by (1.2), (1.5) and (1.3) we have $F_{N}(\pi_{N}(\mu)+\rho_{k,N},\lambda)=c_{N}(\pi_{N}(\mu)+\rho_{k,N})j_{\mu,N}(e^{\lambda})=c_{N}(\mu+\rho_{k,N})j_{\mu,N}(e^{\lambda}),$ where here $\rho_{k,N}=\frac{k}{2}\sum_{i=1}^{N}(N-2i+1)e_{i}=\left(\frac{k(N-1)}{2},...,\frac{k(N-2i+1)}{2},...,\frac{-k(N-1)}{2}\right)\in\mathbb{R}^{N}$ and $c_{N}(\mu+\rho_{k,N})=\prod_{1\leq i<j\leq N}\frac{\Gamma(\mu_{i}-\mu_{j})\Gamma(k(j-i+1))}{\Gamma(\mu_{i}-\mu_{j}+k)\Gamma(k(j-i))}.$ Therefore, $\displaystyle F_{N}(\pi_{N}(\mu)+\rho_{k,N},\lambda)=\frac{c_{N}(\mu+\rho_{k,N})}{c_{N-1}(\overline{\mu}+\rho_{k,N-1})U_{N}(\widetilde{\mu})V_{N}(e^{\lambda})^{2k-1}}\qquad\qquad\qquad\qquad\qquad\qquad\qquad$ $\displaystyle\qquad\qquad\int_{\lambda_{2}}^{\lambda_{1}}...\int_{\lambda_{N}}^{\lambda_{N-1}}e^{|\nu|(1+\frac{|\overline{\mu}|}{N-1})}F_{N-1}(\pi_{N-1}(\overline{\mu})+\rho_{k,N-1},\pi_{N-1}(\nu))V_{N-1}(e^{\nu})\Pi_{N}(e^{\lambda},e^{\nu})d\nu.$ Step 2: Now we apply (1.6), by using the following when $n\rightarrow+\infty$ $\displaystyle U_{N}(n\widetilde{\mu})\sim n^{-k(N-1)}\Gamma(k)^{N-1}\prod_{j=1}^{N-1}(\mu_{j}-\mu_{N})^{-k},\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad$ $\displaystyle V_{N}(e^{\frac{\lambda}{n}})\sim n^{-\frac{N(N-1)}{2}}V_{N}(\lambda),$ $\displaystyle c_{N}(n\mu+\rho_{k,N})\sim n^{\frac{-kN(N-1)}{2}}V_{N}(\mu)^{-k}\prod_{1\leq i<j\leq N}\frac{\Gamma(k(j-i+1))}{\Gamma(k(j-i))},$ $\displaystyle c_{N-1}(n\overline{\mu}+\rho_{k,N-1})\sim n^{\frac{-k(N-1)(N-2)}{2}}V_{N-1}(\overline{\mu})^{-k}\prod_{1\leq i<j\leq N-1}\frac{\Gamma(k(j-i+1))}{\Gamma(k(j-i))},$ $\displaystyle\frac{c_{N}(n\mu+\rho_{k,N})}{c_{N-1}(n\overline{\mu}+\rho_{k,N-1})}\sim n^{-k(N-1)}\frac{\Gamma(Nk)}{\Gamma(k)}\prod_{j=1}^{N-1}(\mu_{j}-\mu_{N})^{-k},$ $\displaystyle\Pi_{N}(e^{\frac{\lambda}{n}},e^{\frac{\nu}{n}})\sim n^{-N(N-1)(k-1)}\Pi(\lambda,\nu).$ Thus $\displaystyle J_{k,N}(\pi_{N}(\mu),\lambda)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(Nk)}{V_{N}(\lambda)^{2k-1}\Gamma(k)^{N}}\int_{\lambda_{2}}^{\lambda_{1}}...\int_{\lambda_{N}}^{\lambda_{N-1}}$ (2.2) $\displaystyle\qquad\qquad e^{|\overline{\mu}|\frac{|\nu|}{N-1}}J_{k,N-1}(\pi_{N-1}(\overline{\mu}),\pi_{N-1}(\nu))V(\nu)\Pi(\lambda,\nu)d\nu.$ Step 3: The formula (2.2) is valid only for a partition $\mu$, to keep it for any $\mu\in\mathbb{R}^{N}$ we proceed as follows. Let $r\in(0,+\infty)$ and $\mu$ be a partition. We obtain after a change of variables $\displaystyle J_{k,N}(\pi_{N}(r\mu),\lambda)=J_{k,N}(\pi_{N}(\mu),r\lambda)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(Nk)}{V_{N}(\lambda)^{2k-1}\Gamma(k)^{N}}\int_{\lambda_{2}}^{\lambda_{1}}...\int_{\lambda_{N}}^{\lambda_{N-1}}e^{|\overline{r\mu}|\frac{|\nu|}{N-1}}$ $\displaystyle\qquad\qquad J_{k,N-1}(\pi_{N-1}(\overline{r\mu}),\pi_{N-1}(\nu))V(\nu)\Pi(\lambda,\nu)d\nu.$ Since the set $\\{r\mu;\quad r\in(0,+\infty),\quad\mu\;\text{partitions}\;\\}$ is dense in the set $H=\\{\mu\in\mathbb{R}^{N},\quad 0\leq\mu_{N}\leq...\leq\mu_{1}\\}$ and $J_{k,N}$ is $S_{N}$-invariant continuous function then (2.2) can be extended to all $\mu\in H$. Now for $\mu\in\mathbb{R}^{N}$ we denote by $\mu^{+}$ the unique element of $S_{N}.\mu$ so that $\mu^{+}_{N}\leq...\leq\mu^{+}_{1}$. So we have $J_{k,N}(\pi_{N}(\mu),\lambda)=J_{k,N}(\pi_{N}(\mu^{+}),\lambda)=J_{k,N}(\pi_{N}(\widetilde{\mu^{+}}),\lambda)$ and since $\widetilde{\mu^{+}}\in H$ then $\displaystyle J_{k,N}(\pi_{N}(\mu),\lambda)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(Nk)}{V_{N}(\lambda)^{2k-1}\Gamma(k)^{N}}\int_{\lambda_{2}}^{\lambda_{1}}...\int_{\lambda_{N}}^{\lambda_{N-1}}$ $\displaystyle\qquad\qquad e^{|\overline{\mu^{+}}|\frac{|\nu|}{N-1}}J_{k,N-1}(\pi_{N-1}(\overline{\mu^{+}}),\pi_{N-1}(\nu))V(\nu)\Pi(\lambda,\nu)d\nu.$ Now when restricted to the space $\mathbb{V}$ we state the following. ###### Theorem 1. For all $\mu,\lambda\in\mathbb{V}$ we have $\displaystyle J_{k,N}(\mu,\lambda)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(Nk)}{V_{N}(\lambda)^{2k-1}\Gamma(k)^{N}}\int_{\lambda_{2}^{+}}^{\lambda_{1}^{+}}...\int_{\lambda_{N}^{+}}^{\lambda_{N-1}^{+}}e^{|\overline{\mu^{+}}|\frac{|\nu|}{N-1}}$ (2.3) $\displaystyle\qquad\qquad J_{k,N-1}(\pi_{N-1}(\overline{\mu^{+}}),\pi_{N-1}(\nu))V_{N-1}(\nu)\Pi_{N}(\lambda^{+},\nu)d\nu.$ In what follows, we shall restrict ourselves to the case $N=2,3,4$ where we give representations of $J_{k,N}$ as Laplace-type integrals, $\displaystyle J_{k,N}(\mu,\lambda)=\int_{\mathbb{R}^{N}}e^{\langle\mu,x\rangle}d\nu_{\lambda}(x).$ where $\nu_{\lambda}$ is a probability measure supported in the convex hall of the orbit $S_{N}.\lambda$. ### 2.a Bessel function of type $A_{1}$ When $N=2$ we have that $\mathbb{V}=\mathbb{R}(e_{1}-e_{2})$, $\mu^{+}=(|\mu_{1}|,-|\mu_{1}|)$, $\overline{\mu^{+}}=2|\mu_{1}|$ and $\lambda^{+}=(|\lambda_{1}|,-|\lambda_{1}|)$. It is obvious that $J_{k,1}=1$, so we get from (2.3) $\displaystyle J_{k,2}(\mu,\lambda)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(2k)}{(\Gamma(k))^{2}(2|\lambda_{1}|)^{2k-1}}\int_{-|\lambda_{1}|}^{|\lambda_{1}|}e^{2|\mu_{1}|\nu}(\lambda_{1}^{2}-\nu^{2})^{k-1}d\nu$ $\displaystyle=$ $\displaystyle\frac{\Gamma(k+\frac{1}{2})}{\sqrt{\pi}\Gamma(k)}\int_{-1}^{1}e^{(2|\mu_{1}||\lambda_{1}|\nu}(1-\nu^{2})^{k-1}d\nu$ $\displaystyle=$ $\displaystyle\mathcal{J}_{k-\frac{1}{2}}(2\mu_{1}\lambda_{1})$ where $\mathcal{J}_{k-\frac{1}{2}}$ is the modified Bessel function given by $\mathcal{J}_{k-\frac{1}{2}}(z)=\Gamma(k+\frac{1}{2})\sum_{n=0}^{\infty}\frac{1}{n!\Gamma(n+k+\frac{1}{2})}(\frac{z}{2})^{2n}.$ However, it is usual to identify $\mathbb{V}=\mathbb{R}\varepsilon$, $\varepsilon=\frac{e_{1}-e_{2}}{\sqrt{2}}$ with $\mathbb{R}$ and write $\displaystyle J_{k,2}(\mu,\lambda)=\mathcal{J}_{k-\frac{1}{2}}(\mu\lambda),\qquad\mu,\lambda\in\mathbb{R}.$ ### 2.b Bessel function of type $A_{2}$ Let $\mu=(\mu_{1},\mu_{2},\mu_{3})$ and $\lambda=(\lambda_{1},\lambda_{2},\lambda_{3})$ in the fundamental Weyl chamber $C=\\{(u_{1},u_{2},u_{3});\quad u_{1}\geq u_{2}\geq u_{3},\quad u_{1}+u_{2}+u_{3}=0\\}.$ With $\overline{\mu}=(\mu_{1}-\mu_{3},\mu_{2}-\mu_{3},)$ and $\pi_{2}(\overline{\mu})=(\frac{\mu_{1}-\mu_{2}}{2},\frac{\mu_{2}-\mu_{1}}{2})$ the formula (2.3) gives $\displaystyle J_{k,3}(\mu,\lambda)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(3k)}{V(\lambda)^{2k-1}\Gamma(k)^{3}}\int_{\lambda_{2}}^{\lambda_{1}}\int_{\lambda_{3}}^{\lambda_{2}}e^{\frac{(\mu_{1}+\mu_{2}-2\mu_{3})(\nu_{1}+\nu_{2})}{2}}\mathcal{J}_{k-\frac{1}{2}}(\frac{(\mu_{1}-\mu_{2})(\nu_{1}-\nu_{2})}{2})(\nu_{1}-\nu_{2})$ $\displaystyle\qquad\Big{(}(\lambda_{1}-\nu_{1})(\lambda_{1}-\nu_{2})(\lambda_{2}-\nu_{2})(\nu_{1}-\lambda_{2})(\nu_{1}-\lambda_{3})(\nu_{2}-\lambda_{3})\Big{)}^{k-1}d\nu_{1}d\nu_{2}.$ Using the change of variables: $x=\frac{\nu_{1}+\nu_{2}}{2}$, $z=\frac{\nu_{1}-\nu_{2}}{2}$ we have $\displaystyle J_{k,3}(\mu,\lambda)=$ $\displaystyle\frac{4\Gamma(3k)}{V(\lambda)^{2k-1}\Gamma(k)^{3}}\int_{\mathbb{R}}\int_{\mathbb{R}}ze^{(\mu_{1}+\mu_{2}-2\mu_{3})x}\mathcal{J}_{k-\frac{1}{2}}(\mu_{1}-\mu_{2})z)\;\chi_{[\lambda_{2},\lambda_{1}]}(x+z)\;\chi_{[\lambda_{3},\lambda_{2}]}(x-z)$ (2.4) $\displaystyle\Big{(}(\lambda_{1}-x)^{2}-z^{2})((\lambda_{3}-x)^{2}-z^{2})(z^{2}-(\lambda_{2}-x)^{2})\Big{)}^{k-1}dxdz.$ Now recall that $\displaystyle\mathcal{J}_{k-\frac{1}{2}}((\mu_{1}-\mu_{2})z)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(2k)}{2^{2k-1}\Gamma(k)^{2}}\int_{\mathbb{R}}e^{(\mu_{1}-\mu_{2})zt}(1-t^{2})^{k-1}\chi_{[-1,1]}(t)dt.$ (2.5) $\displaystyle=$ $\displaystyle\frac{\Gamma(2k)}{2^{2k-1}\Gamma(k)^{2}}\int_{\mathbb{R}}e^{(\mu_{1}-\mu_{2})y}(1-\frac{y^{2}}{z^{2}})^{k-1}\chi_{[-1,1]}(\frac{y}{z})z^{-1}dy$ then inserting (2.5) in (2.4) with the use of Fubini’s Theorem we can write $\displaystyle J_{k,3}(\mu,\lambda)=\int_{\mathbb{R}}\int_{\mathbb{R}}e^{(\mu_{1}+\mu_{2}-2\mu_{3})x+(\mu_{1}-\mu_{2})y}\Delta_{k}(\lambda,x,y)dxdy$ where $\displaystyle\Delta_{k}(\lambda,x,y)=$ $\displaystyle\frac{4\Gamma(2k)\Gamma(3k)}{2^{2k-3}\Gamma(k)^{5}V(\lambda)^{2k-1}}\int_{\mathbb{R}}\left(\frac{z^{2}-y^{2}}{z^{2}}\right)^{k-1}\Big{(}(\lambda_{1}-x)^{2}-z^{2})((\lambda_{3}-x)^{2}-z^{2})(z^{2}-(\lambda_{2}-x)^{2})\Big{)}^{k-1}$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\qquad\qquad\chi_{[-1,1]}(\frac{y}{z})\chi_{[\lambda_{1},\lambda_{2}]}(x+z)\chi_{[\lambda_{3},\lambda_{2}]}(x-z)dz$ We note here that $\displaystyle\chi_{[-1,1]}(\frac{y}{z})\chi_{[\lambda_{1},\lambda_{2}]}(x+z)\chi_{[\lambda_{3},\lambda_{2}]}(x-z)=\chi_{\max(|y|,|x-\lambda_{2}|)\leq z\leq\min(x-\lambda_{3},\lambda_{1}-x)}.$ Thus we have $\displaystyle\Delta_{k}(\lambda,x,y)=$ $\displaystyle\frac{4\Gamma(2k)\Gamma(3k)}{2^{2k-3}\Gamma(k)^{5}V(\lambda)^{2k-1}}\int_{\max(|y|,|x-\lambda_{2}|)}^{\min(x-\lambda_{3},\lambda_{1}-x)}\left(\frac{z^{2}-y^{2}}{z^{2}}\right)^{k-1}\qquad\qquad$ $\displaystyle\qquad\Big{(}(\lambda_{1}-x)^{2}-z^{2})((\lambda_{3}-x)^{2}-z^{2})(z^{2}-(\lambda_{2}-x)^{2})\Big{)}^{k-1}dz$ if $\displaystyle\max(|y|,|x-\lambda_{2}|)\leq\min(x-\lambda_{3},\lambda_{1}-x)$ and $\Delta_{k}(\lambda,x,y)=0$, otherwise. Making the change of variables $\nu_{1}=x+y,\qquad\nu_{2}=x-y$ and put $\nu=(\nu_{1},\nu_{2},\nu_{3})\in\mathbb{V}$ with $\nu_{3}=-(\nu_{1}+\nu_{2})$ we obtain $\displaystyle J_{3}^{k}(\mu,\lambda)=\frac{1}{2}\int_{\mathbb{R}^{2}}e^{\mu_{1}\nu_{1}+\mu_{2}\nu_{2}+\mu_{3}\nu_{3}}\Delta_{k,2}\left(\lambda,\frac{\nu_{1}+\nu_{2}}{2},\frac{\nu_{1}-\nu_{2}}{2}\right)d\nu_{1}d\nu_{2}$ But we can identify $\mathbb{R}^{2}$ with the space $\mathbb{V}$ via the basis $(e_{1}-e_{2},e_{2}-e_{3})$, since for $\nu=(\nu_{1},\nu_{2},\nu_{3})\in\mathbb{V}$ we have $\nu=\nu_{1}(e_{1}-e_{2})+\nu_{2}(e_{1}-e_{3})$. Then we get $\displaystyle J_{k,3}(\mu,\lambda)=\int_{\mathbb{R}^{2}}e^{\langle\mu,\nu\rangle}\delta_{k,2}\left(\lambda,\nu\right)d\nu_{1}d\nu_{2}.$ (2.6) with $\displaystyle\delta_{k,2}(\lambda,\nu)=\frac{1}{2}\Delta_{k,2}\left(\lambda,\frac{\nu_{1}+\nu_{2}}{2},\frac{\nu_{1}-\nu_{2}}{2}\right).$ Now considering the orthonormal basis $(\varepsilon_{1},\varepsilon_{2})$ of $\mathbb{V}$, $\varepsilon_{1}=\frac{1}{\sqrt{6}}(e_{1}+e_{2}-2e_{3}),\quad\varepsilon_{2}=\frac{1}{\sqrt{2}}(e_{1}-e_{2})$ we can write $\mu=\frac{(\mu_{1}+\mu_{2}-2\mu_{3})}{\sqrt{6}}\;\varepsilon_{1}+\frac{\mu_{1}-\mu_{2}}{\sqrt{2}}\;\varepsilon_{2}$ and for $x=x_{1}\varepsilon_{1}+x_{2}\varepsilon_{2}$ $\langle\mu,x\rangle=\frac{(\mu_{1}+\mu_{2}-2\mu_{3})}{\sqrt{6}}x_{1}+\frac{\mu_{1}-\mu_{2}}{\sqrt{2}}x_{2}$ Then using change of variables $x_{1}=\sqrt{6}\;x$ and $x_{2}=\sqrt{2}\;y$ in the formula (LABEL:k3) we obtain $\displaystyle J_{3}^{k}(\mu,\lambda)=\frac{1}{\sqrt{12}}\int_{\mathbb{R}^{2}}e^{\langle\mu,x\rangle}\Delta_{k}\left(\lambda,\frac{x_{1}}{\sqrt{6}},\frac{x_{2}}{\sqrt{2}}\right)dx_{1}dx_{2}.$ ###### Proposition 2. For all $\lambda=(\lambda_{1},\lambda_{2},\lambda_{3})\in C$ the function $\delta_{k,2}\left(\lambda,.\right)$ is supported in the closed convex hull $co(\lambda)$ of the $S_{3}$-orbit of $\lambda$, described by: $\nu=(\nu_{1},\nu_{2},\nu_{3})\in\mathbb{V}$ such that $\displaystyle\lambda_{3}\leq\min(\nu_{1},\nu_{2},\nu_{3})\leq\max(\nu_{1},\nu_{2},\nu_{3})\leq\lambda_{1}.$ ###### Proof. In view of (2.b) and (2.b) the support of $\delta_{k,2}\left(\lambda,.\right)$ is contain is the set $\left\\{\nu\in\mathbb{V};\quad\max\left(\frac{|\nu_{1}-\nu_{2}|}{2},\left|\frac{\nu_{1}+\nu_{2}}{2}-\lambda_{2}\right|\right)\leq\min\Big{(}\frac{\nu_{1}+\nu_{2}}{2}-\lambda_{3},\lambda_{1}-\frac{\nu_{1}+\nu_{2}}{2}\Big{)}\right\\}$ which by straightforward calculus reduced to the set $\\{\nu\in\mathbb{V};\quad\lambda_{3}\leq\min(\nu_{1},\nu_{2},\nu_{3})\leq\max(\nu_{1},\nu_{2},\nu_{3})\leq\lambda_{1}\\}.$ However, we known that $\nu\in co(\lambda)\quad\Leftrightarrow\quad\lambda^{+}-\nu^{+}\in\bigoplus_{i=1}^{N}\mathbb{R}_{+}\alpha_{i}$ and here $\lambda^{+}-\nu^{+}=\lambda-\nu^{+}=(\lambda_{1}-\nu^{+}_{1})(e_{1}-e_{2})+(\nu^{+}_{3}-\lambda_{3})(e_{2}-e_{3})$ Then $\nu\in co(\lambda)\quad\Leftrightarrow\quad\nu^{+}_{1}\leq\lambda_{1}\quad\text{and}\quad\nu^{+}_{3}\geq\lambda_{3},$ which proves the proposition, since $\nu^{+}_{1}=\max(\nu_{1},\nu_{2},\nu_{3})$ and $\nu^{+}_{3}=\min(\nu_{1},\nu_{2},\nu_{3})$. ∎ ### 2.c Bessel function of type $A_{3}$ Let $\mu,\lambda\in C$, the Weyl chamber. We have $\displaystyle|\overline{\mu}|$ $\displaystyle=$ $\displaystyle\mu_{1}+\mu_{2}+\mu_{3}-3\mu_{4},$ $\displaystyle\pi_{4}(\overline{\mu})$ $\displaystyle=$ $\displaystyle(\mu_{1}+\frac{\mu_{4}}{3},\mu_{2}+\frac{\mu_{4}}{3},\mu_{3}+\frac{\mu_{4}}{3}),$ $\displaystyle\pi_{4}(\nu)$ $\displaystyle=$ $\displaystyle(\frac{2\nu_{1}-\nu_{2}-\nu_{3}}{3},\frac{2\nu_{2}-\nu_{1}-\nu_{3}}{3},\frac{2\nu_{3}-\nu_{1}-\nu_{2}}{3}).$ Taking (2.3) with the change of variables $\displaystyle z_{1}$ $\displaystyle=$ $\displaystyle\frac{\nu_{1}+\nu_{2}+\nu_{3}}{3},$ $\displaystyle x_{1}$ $\displaystyle=$ $\displaystyle\frac{2\nu_{1}-\nu_{2}-\nu_{3}}{3},$ $\displaystyle x_{2}$ $\displaystyle=$ $\displaystyle\frac{2\nu_{2}-\nu_{1}-\nu_{3}}{3}$ and put $x=(x_{1},x_{2},x_{3})\in\mathbb{R}^{3}$, $x_{1}+x_{2}+x_{3}=0$, we have $\displaystyle J_{k,4}(\mu,\lambda)=\int_{\mathbb{R}^{3}}e^{(\mu_{1}+\mu_{2}+\mu_{3}-3\mu_{4})z_{1}}J_{k,3}(\pi_{3}(\overline{\mu}),x)V_{3}(x)$ $\displaystyle\Pi_{4}(x_{1}+z_{1},x_{2}+z_{1},x_{3}+z_{1},\lambda)\chi_{[\lambda_{2},\lambda_{1}]}(x_{1}+z_{1})\chi_{[\lambda_{3},\lambda_{2}]}(x_{2}+z_{1})\chi_{[\lambda_{4},\lambda_{3}]}(x_{3}+z_{1})dz_{1}dx_{1}dx_{2}.$ By inserting (2.6) $\displaystyle J_{k,4}(\mu,\lambda)$ $\displaystyle=$ $\displaystyle\int_{\mathbb{R}^{5}}e^{\mu_{1}+\mu_{2}+\mu_{3}-3\mu_{4})z_{1}+(\mu_{1}-\mu_{3})z_{2}+(\mu_{2}-\mu_{3})z_{3}}\delta_{k,2}((z_{2},z_{3},-(z_{2}+z_{3})),x)V_{3}(x)$ $\displaystyle\Pi_{4}(x_{1}+z_{1},x_{2}+z_{1},x_{3}+z_{1},\lambda)\chi_{[\lambda_{2},\lambda_{2}]}(x_{1}+z_{1})\chi_{[\lambda_{3},\lambda_{2}]}(x_{2}+z_{1})\chi_{[\lambda_{4},\lambda_{3}]}(x_{3}+z_{1})$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad dz_{1}dz_{2}dz_{3}dx_{1}dx_{2}.$ Now with the change of variables $\displaystyle Z_{1}$ $\displaystyle=$ $\displaystyle z_{1}+z_{2},$ $\displaystyle Z_{2}$ $\displaystyle=$ $\displaystyle z_{1}+z_{3},$ $\displaystyle Z_{3}$ $\displaystyle=$ $\displaystyle z_{1}-(z_{2}+z_{3})$ and with $Z=(Z_{1},Z_{2},Z_{3},Z_{4})\in\mathbb{R}^{4}$, such that $Z_{1}+Z_{2}+Z_{3}+Z_{4}=0$ we have that $(\mu_{1}+\mu_{2}+\mu_{3}-3\mu_{4})z_{1}+(\mu_{1}-\mu_{3})z_{2}+(\mu_{2}-\mu_{3})z_{3}=\mu_{1}Z_{1}+\mu_{2}Z_{2}+\mu_{3}Z_{3}+\mu_{4}Z_{4}=\langle\mu,Z\rangle.$ Therefore we can write $\displaystyle J_{k,3}(\mu,\lambda)=\int_{\mathbb{R}^{3}}e^{\langle\mu,Z\rangle}\delta_{k,3}(Z,\lambda)dZ_{1}dZ_{2}dZ_{3},$ where $\displaystyle\delta_{k,3}(Z,\lambda)=$ $\displaystyle\int_{\mathbb{R}^{2}}\Pi_{4}(x_{1}+\frac{1}{3}(Z_{1}+Z_{2}+Z_{3}),x_{2}+\frac{1}{3}(Z_{1}+Z_{2}+Z_{3}),x_{3}+\frac{1}{3}(Z_{1}+Z_{2}+Z_{3}),\lambda)$ $\displaystyle\delta_{k,2}(\frac{1}{3}(2Z_{1}-Z_{2}-Z_{3}),\frac{1}{3}(2Z_{2}-Z_{1}-Z_{3}),\frac{1}{3}(2Z_{3}-Z_{1}-Z_{2}),x)\chi_{[\lambda_{2},\lambda_{1}]}(x_{1}+\frac{1}{3}(Z_{1}+Z_{2}+Z_{3}))$ $\displaystyle\chi_{[\lambda_{3},\lambda_{2}]}(x_{2}+\frac{1}{3}(Z_{1}+Z_{2}+Z_{3}))\chi_{[\lambda_{4},\lambda_{3}]}(x_{3}+\frac{1}{3}(Z_{1}+Z_{2}+Z_{3}))dx_{1}dx_{2}.$ (2.7) Let us now describe the support of $\delta_{k,3}$. In fact, $\delta_{k,3}(Z,\lambda)\neq 0$ if the variables $x$ and $Z$ of the integrant (2.c) satisfy: $\displaystyle(1)$ $\displaystyle\quad\lambda_{2}\leq x_{1}+\frac{1}{3}(Z_{1}+Z_{2}+Z_{3})\leq\lambda_{1},$ $\displaystyle(2)$ $\displaystyle\quad\lambda_{3}\leq x_{2}+\frac{1}{3}(Z_{1}+Z_{2}+Z_{3})\leq\lambda_{2},$ $\displaystyle(3)$ $\displaystyle\quad\lambda_{4}\leq x_{3}+\frac{1}{3}(Z_{1}+Z_{2}+Z_{3})\leq\lambda_{3},$ $\displaystyle(4)$ $\displaystyle\quad x_{3}\leq\frac{1}{3}(2Z_{1}-Z_{2}-Z_{3})\leq x_{1},$ $\displaystyle(5)$ $\displaystyle\quad x_{3}\leq\frac{1}{3}(2Z_{2}-Z_{1}-Z_{3})\leq x_{1},$ $\displaystyle(6)$ $\displaystyle\quad x_{3}\leq\frac{1}{3}(2Z_{3}-Z_{1}-Z_{2})\leq x_{1}.$ It Follows that $\displaystyle(1)+(4)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{1}\leq\lambda_{1},$ $\displaystyle(1)+(5)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{2}\leq\lambda_{1},$ $\displaystyle(1)+(6)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{3}\leq\lambda_{1},$ $\displaystyle(1)+(2)+(3)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{4}\leq\lambda_{1},$ $\displaystyle(1)+(2)-(6)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{1}+Z_{2}\leq\lambda_{1}+\lambda_{2},$ $\displaystyle(1)+(2)-(5)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{1}+Z_{3}\leq\lambda_{1}+\lambda_{2},$ $\displaystyle(1)+(2)-(4)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{2}+Z_{3}\leq\lambda_{1}+\lambda_{2},$ $\displaystyle(2)+(3)-(4)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{1}+Z_{4}\leq\lambda_{1}+\lambda_{2},$ $\displaystyle(2)+(3)-(5)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{2}+Z_{4}\leq\lambda_{1}+\lambda_{2}$ $\displaystyle(2)+(3)-(6)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{3}+Z_{4}\leq\lambda_{1}+\lambda_{2},$ $\displaystyle(1)+(2)+(3)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{1}+Z_{2}+Z_{3}\leq\lambda_{1}+\lambda_{2}+\lambda_{3},$ $\displaystyle(3)+(4)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{2}+Z_{3}+Z_{4}\leq\lambda_{1}+\lambda_{2}+\lambda_{3},$ $\displaystyle(3)+(5)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{1}+Z_{3}+Z_{4}\leq\lambda_{1}+\lambda_{2}+\lambda_{3},$ $\displaystyle(3)+(6)\qquad$ $\displaystyle\Rightarrow$ $\displaystyle\qquad Z_{1}+Z_{2}+Z_{4}\leq\lambda_{1}+\lambda_{2}+\lambda_{3}.$ These inequalities can be expressed in terms of $Z^{+}=(Z^{+}_{1},Z^{+}_{2},Z^{+}_{3},Z^{+}_{4})$ as $\displaystyle Z^{+}_{1}=\max(Z_{1},Z_{2},Z_{3},Z_{4})\leq\lambda_{1}$ $\displaystyle Z^{+}_{1}+Z_{2}^{+}=\max(Z_{1}+Z_{2},Z_{1}+Z_{3},Z_{1}+Z_{4},Z_{2}+Z_{3},Z_{2}+Z_{4},Z_{3}+Z_{4})\leq\lambda_{1}+\lambda_{2}$ $\displaystyle Z^{+}_{1}+Z_{2}^{+}+Z^{+}_{3}=\max(Z_{1}+Z_{2}+Z_{3},Z_{2}+Z_{3}+Z_{4},Z_{1}+Z_{2}+Z_{4},Z_{1}+Z_{3}+Z_{4})$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\qquad\leq\lambda_{1}+\lambda_{2}+\lambda_{3}$ which imply that $Z^{+}\preceq\lambda$ and therefore $Z\in co(\lambda)$. ### 2.d Case for arbitrary $N$ After having idea about the case $N=2,3$ it is not hard to see that the formula (1.1) can be found using recurrence. In fact, let $\mu,\lambda\in C$ the Weyl chamber. Put for $\nu\in\mathbb{R}^{N-1}$ $\Omega(\lambda,\nu)=\prod_{i=1}^{N-1}\chi_{[\lambda_{i+1},\lambda_{i}]}(\nu).$ With the change of variables $\displaystyle z_{1}=\frac{|\nu|}{N-1}=\frac{\nu_{1}+...+\nu_{N-1}}{N-1}$ $\displaystyle x_{i}=\nu_{i}-\frac{|\nu|}{N-1};\qquad 1\leq i\leq N-2$ the formula (2.3) becomes, $\displaystyle J_{k,N}(\mu,\lambda)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(Nk)}{V_{N}(\lambda)^{2k-1}\Gamma(k)^{N}}\int_{\mathbb{R}^{N-1}}e^{|\overline{\mu}|z_{1}}J_{k,N-1}(\pi_{N-1}(\overline{\mu}),x)V_{N-1}(x)$ $\displaystyle\Pi_{N}(\lambda,(x_{1}+z_{1},...,x_{N-1}+z_{1}))\Omega(\lambda,(x_{1}+z_{1},...,x_{N-1}+z_{1}))dz_{1}dx_{1}...dx_{N-2}$ where we put $x=(x_{1},...,x_{N-1})$ with $x_{N-1}=-(x_{1}+...+x_{N-2})$. The recurrence hypothesis says that $\displaystyle J_{k,N-1}(\pi_{N-1}(\overline{\mu}),x)$ $\displaystyle=$ $\displaystyle\int_{\mathbb{V}_{N-1}}e^{\langle\pi_{N-1}(\overline{\mu}),z\rangle}\delta_{k,N-1}(x,z)dz.$ $\displaystyle=$ $\displaystyle\int_{\mathbb{R}^{N-2}}e^{\sum_{i=1}^{N-1}\left(\overline{\mu}_{i}-\frac{|\overline{\mu}|}{N-1}\right)z_{i+1}}\delta_{k,N-1}(x,z)dz_{2}...dz_{N-2}.$ where $z=(z_{2},...,z_{N})$ with $z_{N}=-(z_{2}+...+z_{N-1})$ and $\delta_{k,N-1}(.,x)$ is supported in the convex hull of $S_{N-1}.x$ in $\mathbb{R}^{N-1}$. Hence we get $\displaystyle J_{k,N}(\mu,\lambda)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(Nk)}{V_{N}(\lambda)^{2k-1}\Gamma(k)^{N}}\int_{\mathbb{R}^{N-1}}\int_{\mathbb{R}^{N-2}}e^{|\overline{\mu}|z_{1}+\sum_{i=1}^{N-1}\left(\overline{\mu}_{i}-\frac{|\overline{\mu}|}{N-1}\right)z_{i+1}}\delta_{k,N-1}(z,x)$ $\displaystyle V_{N-1}(x)\Pi_{N}(\lambda,(x_{1}+z_{1},...,x_{N-1}+z_{1}))\Omega(\lambda,(x_{1}+z_{1},...,x_{N-1}+z_{1}))$ $\displaystyle\qquad\qquad\qquad\qquad dz_{1}dz_{2}...dz_{N-1}dx_{1}...dx_{N-2}.$ Now observing that $\displaystyle|\overline{\mu}|z_{1}+\sum_{i=1}^{{}^{N-1}}\left(\overline{\mu}_{i}-\frac{|\overline{\mu}|}{N-1}\right)z_{i+1}$ $\displaystyle=$ $\displaystyle\left(\sum_{i=1}^{N-1}\mu_{i}-(N-1)\mu_{N}\right)z_{1}+\sum_{i=1}^{N-1}\mu_{i}z_{i+1}$ $\displaystyle=$ $\displaystyle\sum_{i=1}^{N-1}\mu_{i}(z_{1}+z_{i+1})-(N-1)\mu_{N-1}z_{1}.$ Then making the change of variables $\displaystyle Z_{i}=z_{1}+z_{i+1},\qquad 1\leq i\leq N-1$ and put $Z=(Z_{1},...,Z_{N})$ with $Z_{N}=-(Z_{1}+...+Z_{N-1}$, we have $\displaystyle J_{k,N}(\mu,\lambda)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(Nk)}{V_{N}(\lambda)^{2k-1}\Gamma(k)^{N}}\int_{\mathbb{R}^{N-1}}\int_{\mathbb{R}^{N-2}}e^{\sum_{i=1}^{N}\mu_{i}Z_{i}}\delta_{k,N-1}(\phi(Z),x)V_{N-1}(x)\Pi_{N}(\lambda,\theta(Z,x))$ $\displaystyle\qquad\qquad\qquad\Omega_{N}(\lambda,\theta(Z,x))dZ_{1}dZ_{2}...dZ_{N-1}dx_{1}...dx_{N-2}$ $\displaystyle=$ $\displaystyle\int_{\mathbb{R}^{N-1}}e^{\sum_{i=1}^{N}\mu_{i}Z_{i}}\delta_{k,N}(\lambda,Z)dZ_{1}...dZ_{N-1}$ $\displaystyle=$ $\displaystyle\int_{\mathbb{V}_{N}}e^{\langle\mu,Z\rangle}\delta_{k,N}(\lambda,Z)dZ,$ with $\displaystyle\phi(Z)$ $\displaystyle=$ $\displaystyle\left(Z_{1}-\frac{\sum_{i=1}^{N-1}Z_{i}}{N-1},...,Z_{N_{-1}}-\frac{\sum_{i=1}^{N-1}Z_{i}}{N-1}\right)$ $\displaystyle\theta(Z,x)$ $\displaystyle=$ $\displaystyle\left(x_{1}+\frac{\sum_{i=1}^{N-1}Z_{i}}{N-1},...,x_{N-1}+\frac{\sum_{i=1}^{N-1}Z_{i}}{N-1}\right)$ $\displaystyle\delta_{k,N}(\lambda,Z)$ $\displaystyle=$ $\displaystyle\frac{\Gamma(Nk)}{V_{N}(\lambda)^{2k-1}\Gamma(k)^{N}}\int_{\mathbb{R}^{N-2}}\delta_{k,N-1}(\phi(Z),x)$ (2.8) $\displaystyle\qquad\qquad\qquad V_{N-1}(x)\Pi_{N}(\lambda,\theta(Z,x))\Omega_{N}(\lambda,\theta(Z,x))dx_{1}...dx_{N-2}.$ Now we write sufficient conditions for which the integrant (2.8) does not vanish $\displaystyle(\Lambda_{i})$ $\displaystyle\qquad\lambda_{i+1}\leq x_{i}+\frac{\sum_{i=1}^{N-1}Z_{i}}{N-1}\leq\lambda_{i}$ $\displaystyle(\Lambda_{I})$ $\displaystyle\qquad\sum_{i\in I}Z_{i}-\frac{|I|}{N-1}\sum_{i=1}^{N-1}Z_{i}\leq\sum_{i=1}^{|I|}x_{i}$ for all $I\subset\\{1,2,...,N-1\\}$ of cardinally $|I|$. It follows that $\sum_{i=1}^{|I|}\Lambda_{i}+\Lambda_{I}\quad\Rightarrow\quad\sum_{i\in I}Z_{i}\leq\sum_{i=1}^{|I|}\lambda_{i}$ which proves that $Z^{+}\leq\lambda$ and then $Z\in co(\lambda)$. ## 3 Partially product formula for $J_{k}$ We will first establish a product formula for $J_{k}$ provided that a conjecture of Stanley on the multiplication of Jack polynomials is true. The conjecture says that for all partitions $\mu$ and $\lambda$ $\displaystyle j_{\mu}j_{\lambda}=\sum_{\nu\leq\mu+\lambda}g_{\mu,\lambda}^{\nu}j_{\nu}$ where $g_{\mu,\lambda}^{\nu}$ ( the Littlewood-Richardson coefficients ) is a polynomial in $k$ with nonnegative integer coefficients. In particular, $g_{\mu,\lambda}^{\nu}\geq 0$, what is the interesting facts in our setting. Hence we have for all $\mu,\lambda$ partitions, $\displaystyle F(\pi(\mu)+\rho_{k},.)F(\pi(\lambda)+\rho_{k},.)=\sum_{\nu\leq\mu+\lambda}f_{\mu,\lambda}^{\nu}F(\pi(\nu)+\rho_{k},.)$ with $f_{\mu,\lambda}^{\nu}\geq 0$ and $\sum_{\nu}f_{\mu,\lambda}^{\nu}=1$ But if $\nu\leq\mu+\lambda$ as partitions then we also have $\pi(\nu)\preceq\pi(\mu)+\pi(\lambda)$ in the dominance ordering ([2], Lemma 3.1 ). This allows us to write for all $\mu,\lambda\in P^{+}$ $\displaystyle F(\mu+\rho_{k},.)F(\lambda+\rho_{k},.)=\sum_{\nu\in P^{+};\;\nu\preceq\mu+\lambda}f_{\mu,\lambda}^{\nu}F(\nu+\rho_{k},.).$ To arrive at product formula for $J_{k}$ we follow the technic used by M. Rösler in [14]. We first write $F(n\mu+\rho_{k},\frac{z}{n})F(n\lambda+\rho_{k},\frac{z}{n})=\int_{\mathbb{R}^{N}}F(nx+\rho_{k},\frac{z}{n})d\gamma_{\mu,\lambda}^{n}(x),\qquad z\in\mathbb{V}.$ where $d\gamma_{\mu,\lambda}^{n}=\sum_{\nu\in P^{+};\;\nu\preceq\mu+\lambda}f_{\mu,\lambda}^{\nu}\;\delta_{\frac{\nu}{n}}.$ According to ([14], Lemma 3.2) the probability measure $\gamma_{\mu,\lambda}^{n}$ is supported in the convex hull $co(\mu+\lambda)$. So, from Prohorov’s theorem (see [3] ) there exists a probability measure $\gamma_{\mu,\lambda}$ supported in $co(\mu+\lambda)$ and a subsequence $(\gamma_{\mu,\lambda}^{n_{j}})_{j}$ which converges weakly to $\gamma_{\mu,\lambda}$. Then by using (1.6) it follows that $J_{k}(\mu,z)J_{k}(\lambda,z)=\int_{\mathbb{V}}J_{k}(\xi,z)d\gamma_{\mu,\lambda}(\xi)$ for all $z\in\mathbb{V}$ and $\mu,\lambda\in P^{+}$. Now let $r,s\in\mathbb{Q}^{+}$ with $r=\frac{a}{b}$ and $s=\frac{c}{b}$, $a,b,c\in\mathbb{N}$, $b\neq 0$. We write $\displaystyle J_{k}(r\mu,z)J_{k}(s\lambda,z)$ $\displaystyle=$ $\displaystyle J_{k}(a\mu,\frac{z}{b})J_{k}(c\lambda,\frac{z}{b})$ $\displaystyle=$ $\displaystyle\int_{\mathbb{V}}J_{k}(\xi,\frac{z}{b})d\gamma_{a\mu,c\lambda}(\xi);\quad z\in\mathbb{R}^{d}$ $\displaystyle=$ $\displaystyle\int_{\mathbb{V}}J_{k}(\frac{\xi}{b},z)d\gamma_{a\mu,c\lambda}(\xi);\quad z\in\mathbb{R}^{d}$ Defining $\gamma_{r\mu,s\lambda}$ as the image measure of $\gamma_{a\mu,c\lambda}$ under the dilation $\xi\rightarrow\frac{\xi}{b}$. We get $J_{k}(r\mu,z)J_{k}(s\lambda,z)=\int_{\mathbb{V}}J_{k}(\xi,z)d\gamma_{r\mu,s\lambda}(\xi).$ Now we apply the density argument, since $\mathbb{Q}^{+}.P^{+}\times\mathbb{Q}^{+}.P^{+}$ is dense in $C\times C$, where $C$ is the Weyl chamber. Then Prohorov’s theorem yields $\displaystyle J_{k}(\mu,z)J_{k}(\lambda,z)=\int_{\mathbb{V}}J_{k}(\xi,z)d\gamma_{\mu,\lambda}(\xi);\quad z\in\mathbb{R}^{d}$ for all $\mu,\lambda\in C$ with $supp(\gamma_{\mu,\lambda})\subset co(\mu+\lambda)$. This finish our approach for the product formula. An important special case of the Stanley conjecture called Peiri formula is where the partition $\lambda=(n)$, $n\in\mathbb{N}$. Since this formula has already been proved (see [16]) then we can state the following partial result ###### Theorem 2. For all $\mu\in C$ and all $t\geq 0$ there exists a probability measure $\gamma_{\mu,t}$ such that $\displaystyle J_{k}(\mu,z)J_{k}(t\beta_{1},z)=\int_{\mathbb{V}}J_{k}(\xi,z)d\gamma_{\mu,t}(\xi);\quad z\in\mathbb{R}^{d}$ where $\beta_{1}=\pi(e_{1})$. The measure $\gamma_{\mu,t}$ is supported in $co(\mu+t\beta_{1})$. ## References * [1] Bechir Amri, Jean-Philippe Anker and Mohamed Sifi. Three results in Dunkl analysis. Colloq. Math., 118 (2010), 299–312. * [2] R.J. Beerends, E.M. Opdam, Certain hypergeometric series related to the root system BC, Trans. Amer. Math. Soc. 339 (1993), 581 609. * [3] P. Billingsley, Convergence of Probability Measures, John Wiley Sons, New York, 1968. * [4] M. F. E. de Jeu, The Dunkl transform, Invent. Math. 113 (1993), 147–162. * [5] C. F. Dunkl, Intertwining operators associated to the group $S_{3}$, Trans. Amer. Math. Soc. 347 (1995) 3347–3374. * [6] C. F. Dunkl, Differential-difference operators associated to reflection groups. Trans. Amer. Math. Soc. 311 (1989), 167–183. * [7] G. J. Heckman, H. Schlichtkrull, Harmonic analysis and special functions on symmetric spaces, Perspectives in Mathematics, vol. 16, Academic Press, California, 1994. * [8] G. J. Heckman, Root systems and hypergeometric functions. II, Compositio Math. 64 (1987), 353–374. * [9] J.H. Humphreys, Introduction to Lie Algebras and Representation Theory, Springer-Verlag, New York, 1972. * [10] A. Okounkov and G. Olshanski, Shifted Jack polynomials, binomial formula, and applications, Math. Res. Letters, 4 (1997), 69–78. * [11] E. M. Opdam, Dunkl operators, Bessel functions and the discriminant of a finite Coxeter group, Comp. Math. 85 (1993) 333–373. * [12] E. M. Opdam, Harmonic analysis for certain representations of the graded Hecke algebra, Acta Math. 175 (1995), 75–121. * [13] I. G. Macdonald, Symmetric functions and Hall polynomials 2nd ed. Oxford: Clarendon Press 1995. * [14] M. Rösler, M. Voit, Positivity of Dunkl’s intertwining operator via the trigonometric setting. Int. Math. Res. Not. 63 (2004), 3379–3389. * [15] M. Rösler, Dunkl operators: theory and applications. Lecture Notes in Math., 1817, Orthogonal polynomials and special functions, Leuven, 2002, (Springer, Berlin, 2003) 93–135. * [16] R. Stanley, Some combinatorial properties of Jack symmetric functions. Advances Math. 77 (1989), 76–115.
arxiv-papers
2013-04-18T04:38:59
2024-09-04T02:49:44.565287
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "B\\'echir Amri", "submitter": "Amri Bechir B. Amri", "url": "https://arxiv.org/abs/1304.5016" }
1304.5062
# Exact general relativistic lensing versus thin lens approximation: the crucial role of the void M. Parsi Mood Department of Physics, Sharif University of Technology, Tehran, Iran [email protected] Javad T. Firouzjaee School of Astronomy and Physics, Institute for Research in Fundamental Sciences (IPM), Tehran, Iran [email protected] Reza Mansouri Department of Physics, Sharif University of Technology, Tehran, Iran and School of Astronomy, Institute for Research in Fundamental Sciences (IPM), Tehran, Iran [email protected] ###### Abstract We have used an exact general relativistic model structure within a FRW cosmological background based on a LTB metric to study the gravitational lensing of a cosmological structure. The integration of the geodesic equations turned out to be a delicate task. We realized that the use of the rank 8(7) and 10(11) Runge-Kutta numerical method leads to a numerical effect and is therefore unreliable. The so-called semi-implicit Rosenbrock method, however, turned out to be a viable integration method for our problem. The deviation angle calculated by the integration of the geodesic equations for different density profiles of the model structure was then compared to those of the corresponding thin lens approximation. Using the familiar NFW density profile, it is shown that independent of the truncation details the thin lens approximation differ substantially from the exact relativistic calculation. The difference in the deflection angle for different impact parameters may be up to about 30 percent. However, using the modified NFW density profile with a void before going over to the FRW background, as required by an exact general relativistic model, the thin lens approximation coincides almost exactly with the general relativistic calculation. ###### pacs: 98.80.Jk, 98.62.Js, 98.62.Ck , 95.35.+d The thin lens (Th-L) approximation in the gravitational lensing is the prevailing method to estimate cosmological parameters and the mass of large scale structures leading to dark matter and dark energy contents of the universe GLenses , hoekstra . The current view is that this Th-L approximation is accurate enough at the cosmological scales where we are faced with very weak gravitational fields and potentials. There has already been attempts to compare the Th-L approximation with the integration of null geodesics in a perturbed cosmological background (Sas93 ; Fut95 ; FriKling11 , see also FriKling11 and the references there). However, a full general relativistic calculation based on an exact model is still missing. There are two sources of misinterpretation of astrophysical phenomenon in a weak gravity environment, depending on the local or quasi-local phenomena under consideration. In the case of local phenomena the familiar perturbation theories maybe valid to some extend. There are already detailed studies on this subject (see Wald1 , Wald2 , Wald3 ). However, if quasi-local phenomena or structures come into play we may encounter counter-intuitive effects not detected in the perturbational approach to the weak field limits. The definition of quasi-local mass in general relativity is one of these issues which has been extensively studied in general relativity Szabados . We have already shown numerically how different various quasi-local mass definitions of a general relativistic structure may be taghizadeh . Another quasi-local effect relevant to the gravitational lensing is how a spherically symmetric structure is matched to a FRW background. Such a general relativistic matching is only possible through an underdensity region or a void khakshournia ; a fact not realized in the post-Newtonian approaches or cosmological perturbations relevant to lensing, and missed in all studies comparing the Th-L approaches to a more exact general relativistic lensing calculation. We are interested in the exact general relativistic lensing by an exact solution of Einstein Equations representing a cosmological structure defined by a spherically symmetric overdensity structure within a FRW universe. There is already an exact general relativistic model structure within an FRW universe based on a Lemaître, Tolman and Bondi (LTB) metric Lem97 ; Tol34 ; Bon47 representing an inhomogeneous cosmological model with a structure at its centertaghizadeh . Choosing such a model for an extended spherical lens, we study the gravitational lensing in a dynamical cosmological background in the framework of general relativity by integrating numerically the null geodesic equations to obtain the deflection angle. The result is then compared with the corresponding Th-L approximation to understand the accuracy of this technology and its possible flaws in interpreting the structure and the mass of cluster of galaxies. The effect of the cosmological constant in the lensing is negligible in small scales we are considering ishak and only effect the cosmological distances which we will take into account. That is why we have neglected the cosmological constant in our exact model to avoid unnecessary complexities Take a spherically symmetric cosmological structure in a FRW matter dominated universe with the density $\rho(r,t)$. This is modeled by a LTB solution of the Einstein equations which is written in the comoving coordinates as ($G=1,c=1$) $ds^{2}=-dt^{2}+X^{2}(r,t)dr^{2}+R^{2}(t,r)d\Omega^{2}.$ (1) satisfying $\displaystyle\rho(r,t)$ $\displaystyle=$ $\displaystyle\frac{M^{\prime}(r)}{4\pi R^{2}R^{\prime}},$ (2) $\displaystyle X$ $\displaystyle=$ $\displaystyle\frac{R^{\prime}}{\sqrt{1+E(r)}},$ (3) $\displaystyle\dot{R}^{2}$ $\displaystyle=$ $\displaystyle E(r)+\frac{2M(r)}{R}.$ (4) Here $M$ and $E$ are integrating functions, where dot and prime denote partial derivatives with respect to the coordinates $t$ and $r$ respectively. Equation (4) has three different analytic solution, depending on the value of $E$. The solution for negative $E$ we are interested in is given by $\displaystyle R$ $\displaystyle=$ $\displaystyle-\frac{M}{E}(1-\cos\eta),$ $\displaystyle\eta-\sin\eta$ $\displaystyle=$ $\displaystyle\frac{(-E)^{3/2}}{M}(t-t_{b}(r)).$ (5) The solution has three free functions: $t_{b}(r)$, $E(r)$, and $M(r)$. Given that the metric is covariant under the rescaling $r\rightarrow\tilde{r}(r)$ one of these functions may be fixed. The geodesic equations may be written in the arbitrary plane of $\theta=\frac{\pi}{2}$ due to the spherical symmetry: $\displaystyle t:\frac{d^{2}t}{d\lambda^{2}}+X\dot{X}\left(\frac{dr}{d\lambda}\right)^{2}+R\dot{R}\left(\frac{d\phi}{d\lambda}\right)^{2}=0,$ (6) $\displaystyle r:\frac{d^{2}r}{d\lambda^{2}}+2\frac{\dot{X}}{X}\frac{dr}{d\lambda}\frac{dt}{d\lambda}+\frac{X^{\prime}}{X}\left(\frac{dr}{d\lambda}\right)^{2}-\frac{RR^{\prime}}{X^{2}}\left(\frac{d\phi}{d\lambda}\right)^{2}=0,$ (7) $\displaystyle\phi:\frac{d^{2}\phi}{d\lambda^{2}}+2\frac{\dot{R}}{R}\frac{dt}{d\lambda}\frac{d\phi}{d\lambda}+2\frac{R^{\prime}}{R}\frac{dr}{d\lambda}\frac{d\phi}{d\lambda}=0,$ (8) where $\lambda$ is an affine parameter. Equation (8) expresses the conservation of the angular momentum: $L=R^{2}\frac{d\phi}{d\lambda}=Const.$ (9) We are interested in the light-like geodesics. From the metric we obtain the light-like condition in the form $\left(\frac{dt}{d\lambda}\right)^{2}=X^{2}\left(\frac{dr}{d\lambda}\right)^{2}+R^{2}\left(\frac{d\phi}{d\lambda}\right)^{2}$ (10) These partial non-linear differential equations can not be solved analytically. To integrate them numerically one has to specify the three functions $M(r),t_{b}(r)$, and $E(r)$ and all derivatives of the metric functions, using a procedure proposed in KH01 ; BKCH . We start with a generic density profile and specify it at two different times $t_{1},t_{2}$ as a function of the coordinate $r$. Now, the numerical procedure is based on the choice of $r$-coordinate such that $M(r)=r$. This is due to the fact that $M(r)$ is an increasing function of $r$. Therefore, $E$ and $t_{b}$ become functions of $M$. For the initial time we choose the time of the last scattering surface: $t_{1}\simeq 3.77\times 10^{5}yr$. The initial density profile should show a small over-density near the center imitating otherwise a FRW universe. Therefore, we add a Gaussian peak to the FRW background density $\rho_{b}$. We know already that having an over-density in an otherwise homogeneous universe needs a void to compensate for the extra mass within the over-density region. Therefore, to model this void we subtract a wider gaussian peak: $\rho(R,t_{1})=\rho_{b}(t_{1})\left[\left(\delta_{1}e^{-\left(\frac{R}{R_{0}}\right)^{2}}-b_{1}\right)e^{-\left(\frac{R}{R_{1}}\right)^{2}}+1\right],$ (11) where $\delta_{1}$ is the density contrast of the Gaussian peak, $R_{0}$ is the width of the Gaussian peak, and $R_{1}$ is the width of the negative Gaussian profile. The mass compensation condition leads to an equation for $b_{1}$. For the final time we choose the time when our null geodesy has the nearest distance to the center of our model structure. For instance if we set our lens at the redshift $z\simeq 0.2$ then $t_{2}\simeq 6.98Gyr$. The density profile we choose for the final time is the universal halo density profile (NFW) NFW95 convolved with a negative Gaussian profile to compensate the mass plus the background density at that time: $\rho(R,t_{2})=\left(\rho_{NFW}-b_{2}\rho_{b}(t_{2})\right)e^{-\left(\frac{R}{R_{2}}\right)^{2}}+\rho_{b}(t_{2}),$ (12) where $\rho_{NFW}=\rho_{b}(t_{2})\frac{\delta_{c}}{\left(\frac{R}{R_{s}}\right)\left(1+\frac{R}{R_{s}}\right)^{2}}$ (13) and $\delta_{c}=\frac{200}{3}\frac{c^{3}}{\ln(1+c)-\frac{c}{1+c}}.$ (14) In our numerical calculation we will use typical NFW values $R_{s}=0.5Mpc$ and $c=5$ for a galaxy cluster. Note that at the time $t_{2}$ a black hole singularity covered by an apparent horizon has already been evolved. Therefore, the NFW profile has to be modified and a black hole mass greater than a minimum value has to be added to it at the center. This physical fact is reflected in a shell crossing singularity if we take the familiar NFW profile similar to that assumed for the time $t_{1}$. The mass we have assumed for this black hole singularity is about one thousandth of the mass up to the $R_{s}$ and equal to $5.66\times 10^{11}M_{\odot}$. Figs. 1 and 2 shows the LTB functions $E$ and $t_{b}$ as a result of these boundary assumptions. Using these LTB functions, the density profile of our model structure is obtained and depicted in Fig. 3. Figure 1: $E$ as a function of $M$ for a cluster with NFW density profile. $M$ is given in the unit of the Sun mass. Figure 2: $t_{b}$ as a function of $M$ for a cluster with NFW density profile. $t_{b}$ is given in the unit of $3.263Gyr$. Figure 3: Density profile for a cluster. The dot line corresponds to the familiar NFW profile and the solid line corresponds to the modified NFW with a void. To solve these equations we have to specify four initial conditions taking into account the light-like condition (10). The freedom of choosing the affine parameter reduces the initial conditions to three. Now, the integration of the geodesics happens by a backshooting procedure. Our initial conditions are taken to be the time of observation, distance of the observer to the lens expressed in terms of the redshift of the lens at the time of the observation, and angle between the line of sight to the image of source and the line of sight to the lens ($\theta$ in Fig. 4): $\left.\tan\theta\right|_{O}=\left.\frac{R\frac{d\phi}{d\lambda}}{R^{\prime}\frac{dr}{d\lambda}}\right|_{\text{Null}}.$ (15) The integration is done from the observer to the source at a specific redshift. Assuming there is no lens, the model reduces to a homogenous flat FRW universe and the geodesics are straight lines (in comoving coordinates) allowing us to determine the angle between the source and the lens ($\beta$ in Fig. 4): $\tan\beta=\frac{\sin\phi_{e}}{\frac{r_{o}}{r_{e}}-\cos\phi_{e}},\\\ $ (16) where $\phi_{e}$ is the $\widehat{OLS}$ angle, $r_{o}$ is the comoving distance of the observer, and $r_{e}$ is the comoving distance of the source from the center of coordinate system in the absence of lens at the time $t_{e}$. From the geodesic equations the $t_{e}$ is given by $\left(t_{o}^{\frac{1}{3}}-t_{e}^{\frac{1}{3}}\right)^{2}=\frac{1}{9}\left[\frac{R_{o}^{2}}{t_{o}^{\frac{4}{3}}}+\frac{R_{e}^{2}}{t_{e}^{\frac{4}{3}}}-\frac{2R_{o}R_{e}}{t_{o}^{\frac{2}{3}}t_{e}^{\frac{2}{3}}}\cos\phi_{e}\right].$ (17) Figure 4: GL diagram: O is observer, S is source, S’ is image in source plane, L is lens and $\gamma$ is deflection angle. We then write the lens equation and determine the deflection angle $\gamma$: $\gamma=(\theta-\beta)\frac{D_{OS}}{D_{LS}},$ (18) where we have assumed that the presence of the lens has not a significant effect on the distances and we may use the corresponding FRW ones. The validity of the numerical method chosen to integrate such complex system of partial differential equations is a delicate issue. We first started with the familiar Runge-Kutta adaptive step size algorithm with proportional and integral feedback (PI control) NR07 in which the step size is adjusted to keep local error under a suitable threshold. We started with the so-called embedded Runge-Kutta of the rank 5(4). It turned out, however, that its accuracy is too low. Therefore, we tried the rank 8(7) and then the rank 11(10) algorithm. The difference between these two last ranks, however, turned out to be marginal and below one percent. Given the time-consuming rank 11(10) algorithm, we preferred to use the rank 8(7) one. Now, as a fist test for the accuracy of this numerical method we tried the trivial example of the LTB model, namely the FRW case, expecting a null result. The result was a non- negligible deflection angle of the order of few milliarcseconds. Suspecting to face a numerical effect, and trying to understand the numerical algorithm and the source of this numerical effect, we continued to calculate a more concrete and non-trivial LTB case. The result for the rank 8(7) Runge-Kutta numerical method applied to a structure with a compact density profile did agree with the thin lens approximation. However, in the case of a more diffuse density profile the result showed a deflection angle up to an order of magnitude higher than the thin lens approximation. We did interpret this result as a sign not to trust the Runge-Kutta method and turned to an alternative numerical method! The root of this numerical deficiency could be due to the term $\frac{d\phi}{d\lambda}$ in our equations, which is almost zero in the most part of the path of the light ray and changes suddenly to $\pi$ in the vicinity of the lens. This is a well-known phenomenon in the numerical method of integrating differential equations called as ”stiff” DV84 . The characteristic property of such stiff equations is the presence of two quite different scales. In our case we have on one side the cosmological distance scale of the source relative to the lens and the observer, and on the other side the scale of the structure or the nearest distance of the ray to the lens. Realizing this stiffness property, we turned to the so-called semi- implicit Rosenbrock method of the numerical integration of partial differential equations DV84 ; NR07 . As a first test we calculated again the trivial case of a FRW model which gave an acceptable null result. We, therefore, decided to integrate our geodesic equations using the semi-implicit Rosenbrock method instead of the Runge-Kutta one. The null geodesics equations of our exact general relativistic structure model is now integrated using the modified NFW density profile with a void before matching to the background FRW universe to obtain the deflection angle. Note that the density in the NFW density profile is taken to be the oversdensity in an otherwise FRW model, namely $\rho-\rho_{b}$. However, for the Th-L approximation we have used two different density profiles namely the familiar one and the modified one with a void before matching to the background density. In the case of familiar NFW density profile without a void, the corresponding equations can be integrated analytically to give the deviation angle bart96 ; keet02 : $\displaystyle\gamma(x)$ $\displaystyle=$ $\displaystyle{\frac{4M_{sing}}{xR_{s}}}+{16\pi\rho_{b}\delta_{c}\frac{R_{s}^{2}}{x}}{\left(\log{\frac{x}{2}}+F(x)\right)}$ (19) $\displaystyle F(x)$ $\displaystyle=$ $\displaystyle\left\\{\begin{array}[]{lr}\frac{\textrm{arctanh}({\sqrt{1-x^{2}}})}{\sqrt{1-x^{2}}}&x<1\\\ 1&x=1\\\ \frac{\arctan({\sqrt{x^{2}-1}})}{\sqrt{x^{2}-1}}&x>1\end{array}\right.$ (23) Assuming the same modified NFW profile as in general relativistic case for the Th-L approximation we have also calculated the deflection angle applying the lens equation GLenses $\theta-\beta=\frac{D_{LS}}{D_{OL}D_{OS}}\frac{d\Psi(\theta)}{d\theta},$ (24) where $\Psi$ is the lens potential. Figure 5: Deviation angle for three cases: the general relativistic result is indicated by plus points; the thin lens approximation using our modified NFW is shown by the continuous line; and the dashed line is for the familiar NFW profile without the void (formula (19)). The result for the three cases, the exact general relativistic model with our modified NFW profile, thin lens approximation using the modified NFW with void, and the thin lens approximation using the familiar NFW without a void is depicted in Fig. 5. Obviously the two cases of the thin lens approximation with the modified NFW density profile including the void and the LTB exact method almost coincide. Figure 6: Deviation angle for NFW density profiles with different parameters. Horizontal axis is normalized to $R_{s}$ and vertical axis is normalized to the maximum of the deflection angle in each case. Dash line is for NFW model without void (formula (19)). The thin lens approximation with the familiar density profile without a void, however, differ from the exact LTB model. The difference in the deviation angle can be more than 30 percent depending on the impact parameter. The difference between the exact general relativistic LTB model and the thin lens approximation is due to the absence of the void in the familiar NFW profile used in the literature. To see the implications of the NFW parameters in this difference we have also calculated the deviation angle for different NFW profiles, with and without void. The result is depicted in the Fig. 19. We see again that the Th-L approximation using different modified NFW profiles including a void almost coincide with the exact LTB model. Models with the NFW profiles without void, however, differ substantially from the exact model. The difference is higher the bigger the $c_{s}$ parameter is, i.e. the less the concentration of the density of structure is. We, therefore, conclude that by interpreting astrophysical data of gravitational lensing by clusters using a familiar NFW density profile without a void we are deviating from the exact result and the Th-L approximation is no longer valid. The Th-L approximation may, however, be considered as precise enough if one modify the density profile and add the corresponding void to it, as require by general relativity for a quasi-local structure. The detail of the void, such as its density contrast,its depth and length, depends on the detail of the model and the deviation from the familiar NFW may even be much higher for other choices. Also note that the effect of the void is higher for larger impact parameter. In the case of strongly lensed objects in astrophysical applications we are usually faced with small impact parameter where this effect is negligible. For example in the case of Abell 2261 cluster ($z=0.225$) with many strong lensing arcs, D. Coe et al. coe have assigned $c_{s}=6.2\pm 0.3$ and $M_{vir}=2.2\pm 0.2\times 10^{15}M_{\odot}$. The exact general relativistic results according to our model would lead to $c_{s}=6.23$ and $M_{vir}=2.23\times 10^{15}M_{\odot}$. In the case of weak lensing, however, we expect this effect to have significant impact on the cosmological parameters. Work in this direction is in progress. ## References * (1) P. Schneider, J. Ehlers, E.E. Falco, _Gravitational Lenses_ , Springer-Verlag (1992). * (2) H. Hoekstra, M. Bartelmann, H. Dahle, H. Israel, M. Limousin, M. Meneghetti, [arXiv:1303.3274]. * (3) M. Sasaki, Prog. Theor. Phys., 90, No. 4 (1993). * (4) T. Futamase, Prog. Theor. Phys., 93, No. 3 (1995). * (5) S. Frittelli, T. P. Kling, Mon. Not. R. Astron. Soc., 415, 3599-3608 (2011). * (6) S. R. Green, R. M. Wald, Phys. Rev. D, 83, 084020 (2011). * (7) S. R. Green, R. M. Wald, Phys. Rev. D, 85, 063512 (2012). * (8) S. R. Green, R. M. Wald, [arXiv:1304.2318]. * (9) L. B. Szabados, Living Rev. Relativity, 4, (2004). * (10) J. T. Firouzjaee, M. Parsi Mood, R. Mansouri, Gen. Rel. Grav., 44, 639 (2012). * (11) S. Khakshournia, R. Mansouri, Phys. Rev. D, 65, 027302, (2001). * (12) W. Rindler,M. Ishak, Phys. Rev. D,76, 043006, (2007). * (13) G. A. Lemaître, Gen. Rel. Grav., 29, 5 (1997)(reprint). * (14) R. C. Tolman, Proc. Nat. Acad. Sci., 20, 169 (1934). * (15) H. Bondi, Mon. Not. R. Astron. Soc., 107, 410 (1947). * (16) A. Krasiński, C. Hellaby, Phys. Rev. D, 65,023501 (2001). * (17) K. Bolejko, A. Krasiński, M. Célérier, C. Hellaby, _Structures in the Universe by Exact Methods: Formation, Evolution, Interactions_ , Cambridge University Press (2010). * (18) J. F. Navarro, C. S. Frenk, S. D. M. White, Mon. Not. R. Astron. Soc., 275, 720 (1995). * (19) W. H. Press, S. A. Teukolsky, W. T. Vetterling, B. P. Flannery, _Numerical Recipes: The Art of Scientific Computing_ , 3rd Edition, Cambridge University Press (2007). * (20) K. Dekker, J. G. Verwer, _Stability of Runge-Kutta methods for stiff nonlinear differential equations_ , North-Holland (1984). * (21) S. Weinberg, _Cosmology_ , Oxford University Press, (2008). * (22) K. Van Acoleyen, J. Cosmol. Astropart. Phys., 10, 028, (2008). * (23) A. Paranjape, T. P. Singh, J. Cosmol. Astropart. Phys., 03, 023, (2008). * (24) M. Bartelmann, Astron. Astrophys., 313,697 (1996). * (25) C. R. Keeton, [arXiv:astro-ph/0102341] * (26) C. Giocoli, M. Meneghetti,S. Ettori,L. Moscardini, Mon. Not. R. Astron. Soc., 426, 1558, (2011). * (27) D. Coe, et al., Astrophy. J., 757, 22C, (2012).
arxiv-papers
2013-04-18T09:37:27
2024-09-04T02:49:44.572287
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "M. Parsi Mood, Javad T. Firouzjaee and Reza Mansouri", "submitter": "Mojahed Parsi Mood", "url": "https://arxiv.org/abs/1304.5062" }
1304.5063
# Combinaison d’information visuelle, conceptuelle, et contextuelle pour la construction automatique de hi rarchies s mantiques adapt es l’annotation d’images Hichem Bannour Céline Hudelot Laboratoire de Math matiques Appliqu es aux Syst mes (MAS) cole Centrale Paris Grande Voie des Vignes 92295 Ch tenay-Malabry, France {Hichem.bannour, Celine.hudelot}@ecp.fr ### Résumé Ce papier propose une nouvelle m thode pour la construction automatique de hi rarchies s mantiques adapt es la classification et l’annotation d’images. La construction de la hi rarchie est bas e sur une nouvelle mesure de similarit s mantique qui int gre plusieurs sources d’informations: visuelle, conceptuelle et contextuelle que nous d finissons dans ce papier. L’objectif est de fournir une mesure qui est plus proche de la s mantique des images. Nous proposons ensuite des r gles, bas es sur cette mesure, pour la construction de la hi rarchie finale qui encode explicitement les relations hi rarchiques entre les diff rents concepts. La hi rarchie construite est ensuite utilis e dans un cadre de classification s mantique hi rarchique d’images en concepts visuels. Nos exp riences et r sultats montrent que la hi rarchie construite permet d’am liorer les r sultats de la classification. ### Mots Clef Construction de hi rarchies s mantiques, s mantique d’images, annotation d’images, mesures de similarit s mantiques, classification hi rarchique d’images. ### Abstract This paper proposes a new methodology to automatically build semantic hierarchies suitable for image annotation and classification. The building of the hierarchy is based on a new measure of semantic similarity. The proposed measure incorporates several sources of information: visual, conceptual and contextual as we defined in this paper. The aim is to provide a measure that best represents image semantics. We then propose rules based on this measure, for the building of the final hierarchy, and which explicitly encode hierarchical relationships between different concepts. Therefore, the built hierarchy is used in a semantic hierarchical classification framework for image annotation. Our experiments and results show that the hierarchy built improves classification results. ### Keywords Semantic hierarchies building, image semantics, image annotation, semantic relatedness measure, hierarchical image classification. ## 1 Introduction Avec l’explosion des donn es images, il devient essentiel de fournir une annotation s mantique de haut niveau ces images pour satisfaire les attentes des utilisateurs dans un contexte de recherche d’information. Des outils efficaces doivent donc tre mis en place pour permettre une description s mantique pr cise des images. Depuis les dix derni res ann es, plusieurs approches d’annotation automatique d’images ont donc t propos es [5, 19, 14, 2, 27] pour essayer de r duire le probl me bien connu du _foss s mantique_ [29]. Cependant, dans la plupart de ces approches, la s mantique est souvent limit e sa manifestation perceptuelle, i.e. au travers de l’apprentissage d’une fonction de correspondance associant les caract ristiques de bas niveau des concepts visuels de plus haut niveau s mantique [5, 19]. Cependant, malgr une efficacit relative concernant la description du contenu visuel d’une image, ces approches sont incapables de d crire la s mantique d’une image comme le ferait un annotateur humain. Elles sont galement confront es au probl me du passage l’ chelle [21]. En effet, les performances de ces approches varient consid rablement en fonction du nombre de concepts et de la nature des donn es cibl es [18]. Cette variabilit peut tre expliqu e d’une part par la large variabilit visuelle intra-concept, et d’autre part par une grande similarit visuelle inter-concept, qui conduisent souvent des annotations imparfaites. R cemment, plusieurs travaux se sont int ress s l’utilisation de hi rarchies s mantiques pour surmonter ces probl mes [30, 3, 4]. En effet, l’utilisation de connaissances explicites, telles que les hi rarchies s mantiques, peut am liorer l’annotation en fournissant un cadre formel qui permet d’argumenter sur la coh rence des informations extraites des images. En particulier, les hi rarchies s mantiques se sont av r es tre tr s utiles pour r duire le foss s mantique [11]. Trois types de hi rarchies pour l’annotation et la classification d’images ont t r cemment explor es : 1) les hi rarchies bas es sur des connaissances textuelles (nous ferons r f rence ce type de connaissances par information conceptuelle dans le reste du papier) 111Exemple d’information textuelle utilis e pour la construction des hi rarchies: les tags, contexte environnant, WordNet, Wikipedia, etc. [23, 31, 12], 2) les hi rarchies bas es sur des informations visuelles (ou perceptuelles), i.e. caract ristiques de bas niveau de l’image [28, 6, 33], 3) les hi rarchies que nous nommerons s mantiques bas es la fois sur des informations textuelles et visuelles [20, 13, 32]. Les deux premi res cat gories d’approches ont montr un succ s limit dans leur usage. En effet, d’un c t l’information conceptuelle seule n’est pas toujours en phase avec la s mantique de l’image, et est alors insuffisante pour construire une hi rarchie ad quate pour l’annotation d’images [32]. De l’autre cot , l’information perceptuelle ne suffit pas non plus elle seule pour la construction d’une hi rarchie s mantique ad quate (voir le travail de [28]). En effet, il est difficile d’interpr ter ces hi rarchies dans des niveaux d’abstraction plus lev s. Ainsi, la combinaison de ces deux sources d’information semble donc obligatoire pour construire des hi rarchies s mantiques adapt es l’annotation d’images. La suite de ce papier est organis e comme suit: dans la section 2 nous pr sentons les travaux connexes. La section 3 pr sente la mesure s mantique propos e dans un premier temps, puis les r gles utilis es pour la construction de la hi rarchie s mantique. Les r sultats exp rimentaux sont pr sent s dans la section 4. La section 5 pr sente nos conclusions et perspectives. ## 2 tat de l’art Plusieurs m thodes [20, 13, 23, 31, 28, 6] ont t propos es pour la construction de hi rarchies de concepts d di es l’annotation d’images. Dans cette section nous pr senterons ces diff rentes m thodes en suivant l’ordre propos dans l’introduction. Marszalek & al. [23] ont propos de construire une hi rarchie par l’extraction du graphe pertinent dans WordNet reliant l’ensemble des concepts entre eux. La structure de cette hi rarchie est ensuite utilis e pour construire un ensemble de classifieurs hi rarchiques. Deng & al. [12] ont propos _ImageNet_ , une ontologie grande chelle pour les images qui repose sur la structure de WordNet, et qui vise peupler les 80 000 synsets de WordNet avec une moyenne de 500 1000 images s lectionn es manuellement. L’ontologie LSCOM [24] vise concevoir une taxonomie avec une couverture de pr s de 1 000 concepts pour la recherche de vid o dans les bases de journaux t l vis s. Une m thode pour la construction d’un espace s mantique enrichi par les ontologies est propos e dans [31]. Bien que ces hi rarchies soient utiles pour fournir une structuration compr hensible des concepts, elles ignorent l’information visuelle qui est une partie importante du contenu des images. D’autres travaux se sont donc bas s sur l’information visuelle [28, 6, 33]. Une plateforme (I2T) d di e la g n ration automatique de descriptions textuelles pour les images et les vid os est propos e dans [33]. I2T est bas e principalement sur un graphe AND-OR pour la repr sentation des connaissances visuelles. Sivic & al. [28] ont propos de regrouper les objets dans une hi rarchie visuelle en fonction de leurs similarit s visuelles. Le regroupement est obtenu en adaptant, pour le domaine de l’image, le mod le d’Allocation Dirichlet Latente hi rarchique (hLDA) [7]. Bart & al. [6] ont propos une m thode bay sienne pour organiser une collection d’images dans une arborescence en forme d’arbre hi rarchique. Dans [17], une m thode pour construire automatiquement une taxonomie pour la classification d’images est propos e. Les auteurs sugg rent d’utiliser cette taxonomie afin d’augmenter la rapidit de la classification au lieu d’utiliser un classifieur multi-classe sur toutes les cat gories. Une des principales limitations de ces hi rarchies visuelles est qu’elles sont difficiles interpr ter. Ainsi, une hi rarchie s mantique compr hensible et adequate pour l’annotation d’images devrait tenir compte la fois de l’information conceptuelle et de l’information visuelle lors du processus du construction. Parmi les approches pour la construction de hi rarchies s mantiques, Li & al. [20] ont pr sent une m thode bas e la fois sur des informations visuelles et textuelles (les tiquettes associ es aux images) pour construire automatiquement une hi rarchie, appel e "semantivisual", selon le mod le hLDA. Une troisi me source d’information que nous nommerons information contextuelle est aussi utilis e pour la construction de telles hierarchies. Nous discutons plus pr cis ment de cette information dans le paragraphe suivant. Fan & al. [15] ont propos un algorithme qui int gre la similarit visuelle et la similarit contextuelle entre les concepts. Ces similarit s sont utilis es pour la construction d’un r seau de concepts utilis pour la d sambigu sation des mots. Une m thode pour la construction de hi rarchies bas es sur la similarit contextuelle et visuelle est propos e dans [13]. La "distance de Flickr" est propos e dans [32]. Elle repr sente une nouvelle mesure de similarit entre les concepts dans le domaine visuel. Un r seau de concepts visuels (VCNet) bas sur cette distance est galement propos dans [32]. Ces hi rarchies s mantiques ont un potentiel int ressant pour am liorer l’annotation d’images. Discussion Comme nous venons de le voir, plusieurs approches de construction de hierarchies se basent sur WordNet [23, 12]. Toutefois, WordNet n’est pas tr s appropri la mod lisation de la s mantique des images. En effet, l’organisation des concepts dans WordNet suit une structure psycholinguistique, qui peut tre utile pour raisonner sur les concepts et comprendre leur signification, mais elle est limit e et inefficace pour raisonner sur le contexte de l’image ou sur son contenu. En effet, les distances entre les concepts similaires dans WordNet ne refl tent pas n cessairement la proximit des concepts dans un cadre d’annotation d’images. Par exemple, selon la distance du plus court chemin dans WordNet, la distance entre les concepts "Requin" et "Baleine" est de 11 (nœuds), et entre "Humain" et "Baleine" est de 7. Cela signifie que le concept "Baleine" est plus proche (similaire) de "Humain" que de "Requin". Ceci est tout fait coh rent d’un point de vue biologique, parce que "Baleine" et "Humain" sont des mammif res tandis que "Requin" ne l’est pas. Cependant, dans le domaine de l’image il est plus int ressant d’avoir une similarit plus lev e entre "Requin" et "Baleine", puisqu’ils vivent dans le m me environnement, partagent de nombreuses caract ristiques visuelles, et il est donc plus fr quent qu’on les retrouve conjointement dans une m me image ou un m me type d’images (ils partagent un m me contexte). Donc, une hi rarchie s mantique appropri e devrait repr senter cette information ou permettre de la d duire, pour aider comprendre la s mantique de l’image. ## 3 M thode Propos e En se basant sur la discussion pr c dente, nous d finissons les hypoth ses suivantes sur lesquelles repose notre approche: _Une hi rarchie s mantique appropri e pour l’annotation d’images doit: 1) mod liser le contexte des images (comme d fini dans la section pr c dente), 2) permettre de regrouper des concepts selon leurs caract ristiques visuelles et textuelles, 3) et refl ter la s mantique des images, i.e. l’organisation des concepts dans la hi rarchie et leurs relations s mantiques est fid le la s mantique d’images._ Figure 1: Illustration de la mesure propos e bas e sur les similarit s normalis es: visuelle $\overline{\varphi}$, conceptuelle $\overline{\pi}$ et contextuelle $\overline{\gamma}$ entre concepts. Nous proposons dans ce papier une nouvelle m thode pour la construction de hi rarchies s mantiques appropri es l’annotation d’images. Notre m thode se base sur une nouvelle mesure pour estimer les relations s mantiques entre concepts. Cette mesure int gre les trois sources d’information que nous avons d crites pr c demment. Elle est donc bas e sur 1) une similarit visuelle qui repr sente la correspondance visuelle entre les concepts, 2) une similarit conceptuelle qui d finit un degr de similarit entre les concepts cibles, bas e sur leur d finition dans WordNet, et 3) une similarit contextuelle qui mesure la d pendance statistique entre chaque paire de concepts dans un corpus donn (cf. Figure 1). Ensuite cette mesure est utilis e dans des r gles qui permettent de statuer sur la vraisemblance des relations de parent entre les concepts, et permettent de construire une hi rarchie. tant donn un ensemble de couples image/annotation, o chaque annotation d crit un ensemble de concepts associ s l’image, notre approche permet de cr er automatiquement une hi rarchie s mantique adapt e l’annotation d’images. Plus formellement, nous consid rons $I=<i_{1},i_{2},\cdots,i_{\mathcal{L}}>$ l’ensemble des images de la base consid r e, et $C=<c_{1},c_{2},\cdots,c_{\mathcal{N}}>$ le vocabulaire d’annotation de ces images, i.e. l’ensemble de concepts associ s ces images. L’approche que nous proposons consiste alors identifier $\mathcal{M}$ nouveaux concepts qui permettent de relier tous les concepts de $C$ dans une structure hi rarchique repr sentant au mieux la s mantique d’images. ### 3.1 Similarit Visuelle Soit $x_{i}^{v}$ une repr sentation visuelle quelconque de l’image $i$ (vecteur de caract ristiques visuelles), on apprend pour chaque concept $c_{j}$ un classifieur qui permet d’associer ce concept ses caract ristiques visuelles. Pour cela, nous utilisons $\mathcal{N}$ machines vecteurs de support (SVM) [10] binaires (un-contre-tous) avec une fonction de d cision $\mathcal{G}(x^{v})$: $\mathcal{G}(x^{v})=\sum_{k}\alpha_{k}y_{k}\mathbf{K}(x_{k}^{v},x^{v})+b$ (1) o : $\mathbf{K}(x_{i}^{v},x^{v})$ est la valeur d’une fonction noyau pour l’ chantillon d’apprentissage $x_{i}^{v}$ et l’ chantillon de test $x^{v}$, $y_{i}\in\\{1,-1\\}$ est l’ tiquette de la classe de $x_{i}^{v}$, $\alpha_{i}$ est le poids appris de l’ chantillon d’apprentissage $x_{i}^{v}$, et $b$ est un param tre seuil appris. Il est noter que les chantillons d’apprentissage $x_{i}^{v}$ avec leurs poids $\alpha_{i}>0$ forment _les vecteurs de support_. Apr s avoir test diff rentes fonction noyau sur notre ensemble d’apprentissage, nous avons d cid d’utiliser une fonction noyau base radiale: $\mathbf{K}(x,y)=exp\Big{(}\frac{\|x-y\|^{2}}{\sigma^{2}}\Big{)}$ (2) Maintenant, compte tenu de ces $\mathcal{N}$ SVM appris o les repr sentations visuelles des images sont les entr es et les concepts (classes d’images) sont les sorties, nous voulons d finir pour chaque classe de concept un centro de $\vartheta(c_{i})$ qui soit repr sentatif du concept $c_{i}$. Les centro des d finis doivent alors minimiser la somme des carr s l’int rieur de chaque ensemble $S_{i}$: $\underset{S}{\operatorname{argmin}}\sum_{i=1}^{\mathcal{N}}\sum_{x_{j}^{v}\in S_{i}}\|x_{j}^{v}-\mu_{i}\|^{2}$ (3) o $S_{i}$ est l’ensemble de _vecteurs de support_ de la classe $c_{i}$, $S=\\{S_{1},S_{2},\cdots,S_{\mathcal{N}}\\}$, et $\mu_{i}$ est la moyenne des points dans $S_{i}$. L’objectif tant d’estimer une distance entre ces classes afin d’ valuer leurs similarit s visuelles, nous calculons le centro de $\vartheta(c_{i})$ de chaque concept visuel $c_{i}$ en utilisant: $\vartheta(c_{i})=\frac{1}{|S_{i}|}\sum_{x_{j}\in S_{i}}x_{j}^{v}$ (4) La similarit visuelle entre deux concepts $c_{i}$ et $c_{j}$, est alors inversement proportionnelle la distance entre leurs centro des respectifs $\vartheta(c_{i})$ et $\vartheta(c_{j})$: $\varphi(c_{i},c_{j})=\frac{1}{1+d(\vartheta(c_{i}),\vartheta(c_{j}))}$ (5) o $d(\vartheta(c_{i}),\vartheta(c_{j}))$ est la distance euclidienne entre les deux vecteurs $\vartheta(c_{i})$ et $\vartheta(c_{j})$ d finie dans l’espace des caract ristiques visuelles. ### 3.2 Similarit Conceptuelle La similarit conceptuelle refl te la relation s mantique entre deux concepts d’un point de vue linguistique et taxonomique. Plusieurs mesures de similarit ont t propos es dans la litt rature [8, 26, 1]. La plupart sont bas s sur une ressource lexicale, comme WordNet [16]. Une premi re famille d’approches se base sur la structure de cette ressource externe (souvent un r seau s mantique ou un graphe orient ) et la similarit est alors calcul e en fonction des distances des chemins reliant les concepts dans cette structure [8]. Cependant, comme nous l’avons d j dit pr c demment, la structure de ces ressources ne refl te pas forcement la s mantique des images, et ce type de mesures ne semble donc pas adapt notre probl matique. Une approche alternative pour mesurer le degr de similarit s mantique entre deux concepts est d’utiliser la d finition textuelle associ e ces concepts. Dans le cas de WordNet, ces d finitions sont connues sous le nom de glosses. Par exemple, Banerjee et Pedersen [1] ont propos une mesure de proximit s mantique entre deux concepts qui est bas e sur le nombre de mots communs (chevauchements) dans leurs d finitions (glosses). Dans notre approche, nous avons utilis la mesure de similarit propos e par [25], qui se base sur WordNet et l’exploitation des vecteurs de co-occurrences du second ordre entre les glosses. Plus pr cis ment, dans une premi re tape un espace de mots de taille $\mathcal{P}$ est construit en prenant l’ensemble des mots significatifs utilis s pour d finir l’ensemble des synsets222Synonym set: composante atomique sur laquelle repose WordNet, compos e d’un groupe de mots interchangeables d notant un sens ou un usage particulier. A un concept correspond un ou plusieurs synsets. de WordNet. Ensuite, chaque concept $c_{i}$ est repr sent par un vecteur $\overrightarrow{w}_{c_{i}}$ de taille $\mathcal{P}$, o chaque _i me_ l ment de ce vecteur repr sente le nombre d’occurrences du _i me_ mot de l’espace des mots dans la d finition de $c_{i}$. La similarit s mantique entre deux concepts $c_{i}$ et $c_{j}$ est alors mesur e en utilisant la similarit cosinus entre $\overrightarrow{w}_{c_{i}}$ et $\overrightarrow{w}_{c_{j}}$: $\eta(c_{i},c_{j})=\frac{\overrightarrow{w}_{c_{i}}\cdot\overrightarrow{w}_{c_{j}}}{|\overrightarrow{w}_{c_{i}}||\overrightarrow{w}_{c_{j}}|}$ (6) Certaines d finitions de concepts dans WordNet sont tr s concises et rendent donc cette mesure peu fiable. En cons quence, les auteurs de [25] ont propos d’ tendre les glosses des concepts avec les glosses des concepts situ s dans leur voisinage d’ordre 1. Ainsi, pour chaque concept $c_{i}$ l’ensemble $\Psi_{c_{i}}$ est d fini comme l’ensemble des glosses adjacents connect s au concept $c_{i}$ ($\Psi_{c_{i}}$={gloss($c_{i}$), gloss(hyponyms($c_{i}$)), gloss(meronyms($c_{i}$)), etc.}). Ensuite pour chaque l ment $x$ (gloss) de $\Psi_{c_{i}}$ , sa repr sentation $\overrightarrow{w}_{x}$ est construite comme expliqu ci-dessus. La mesure de similarit entre deux concepts $c_{i}$ et $c_{j}$ est alors d finie comme la somme des cosinus individuels des vecteurs correspondants: $\theta(c_{i},c_{j})=\frac{1}{|\Psi_{c_{i}}|}\sum_{x\in\Psi_{c_{i}},y\in\Psi_{c_{j}}}\frac{\overrightarrow{w}_{x}\cdot\overrightarrow{w}_{y}}{|\overrightarrow{w}_{x}||\overrightarrow{w}_{y}|}$ (7) o $|\Psi|=|\Psi_{i}|=|\Psi_{j}|$. Enfin, chaque concept dans WordNet peut correspondre plusieurs sens (synsets) qui diff rent les uns des autres dans leur position dans la hi rarchie et leur d finition. Une tape de d sambigu sation est donc n cessaire pour l’identification du bon synset. Par exemple, la similarit entre "Souris" (animal) et "Clavier" (p riph rique) diff re largement de celle entre "Souris" (p riph rique) et "Clavier" (p riph rique). Ainsi, nous calculons d’abord la similarit conceptuelle entre les diff rents sens (synset) de $c_{i}$ et $c_{j}$. La valeur maximale de similarit est ensuite utilis e pour identifier le sens le plus probable de ces deux concepts, i.e. d sambig iser $c_{i}$ et $c_{j}$. La similarit conceptuelle est alors calcul e par la formule suivante: $\pi(c_{i},c_{j})=\underset{\delta_{i}\in s(c_{i}),\delta_{j}\in s(c_{j})}{\operatorname{argmax}}\theta(\delta_{i},\delta_{j})$ (8) o $s(c_{x})$ est l’ensemble des synsets qu’il est possible d’associer aux diff rents sens du concept $c_{x}$. ### 3.3 Similarit Contextuelle Comme cela a t expliqu dans la section 2, l’information li e au contexte d’apparition des concepts est tr s importante dans un cadre d’annotation d’images. En effet, cette information, dite contextuelle, permet de relier des concepts qui apparaissent souvent ensemble dans des images ou des m mes types d’images, bien que s mantiquement loign s du point de vue taxonomique. De plus, cette information contextuelle peut aussi permettre d’inf rer des connaissances de plus haut niveau sur l’image. Par exemple, si une photo contient "Mer" et "Sable", il est probable que la sc ne repr sent e sur cette photo est celle de la plage. Il semble donc important de pouvoir mesurer la similarit contextuelle entre deux concepts. Contrairement aux deux mesures de similarit pr c dentes, cette mesure de similarit contextuelle d pend du corpus, ou plus pr cis ment d pend de la r partition des concepts dans le corpus. Dans notre approche, nous mod lisons la similarit contextuelle entre deux concepts $c_{i}$ et $c_{j}$ par l’information mutuelle PMI [9] (Pointwise mutual information) $\rho(c_{i},c_{j})$: $\rho(c_{i},c_{j})=\log\frac{P(c_{i},c_{j})}{P(c_{i})P(c_{j})}$ (9) o , $P(c_{i})$ est la probabilit d’apparition de $c_{i}$, et $P(c_{i},c_{j})$ est la probabilit jointe de $c_{i}$ et de $c_{j}$. Ces probabilit s sont estim es en calculant les fr quences d’occurrence et de cooccurrence des concepts $c_{i}$ et $c_{j}$ dans la base d’images. tant donn $\mathcal{N}$ le nombre total de concepts dans notre base d’images, $\mathcal{L}$ le nombre total d’images, $n_{i}$ le nombre d’images annot es par $c_{i}$ (fr quence d’occurrence de $c_{i}$) et $n_{ij}$ le nombre d’images co-annot es par $c_{i}$ et $c_{j}$, les probabilit s pr c dentes peuvent tre estim es par: $\begin{array}[]{cc}\widehat{P(c_{i})}=\frac{n_{i}}{\mathcal{L}},&\widehat{P(c_{i},c_{j})}=\frac{n_{ij}}{\mathcal{L}}\\\ \end{array}$ (10) Ainsi: $\rho(c_{i},c_{j})=\log\frac{{\mathcal{L}*n_{ij}}}{n_{i}*n_{j}}$ (11) $\rho(c_{i},c_{j})$ quantifie la quantit d’information partag e entre les deux concepts $c_{i}$ et $c_{j}$. Ainsi, si $c_{i}$ et $c_{j}$ sont des concepts ind pendants, alors $P(c_{i},c_{j})=P(c_{i})\cdot P(c_{j})$ et donc $\rho(c_{i},c_{j})=log\leavevmode\nobreak\ 1=0$. $\rho(c_{i},c_{j})$ peut tre n gative si $c_{i}$ et $c_{j}$ sont corr l s n gativement. Sinon, $\rho(c_{i},c_{j})>0$ et quantifie le degr de d pendance entre ces deux concepts. Dans ce travail, nous cherchons uniquement mesurer la d pendance positive entre les concepts et donc nous ramenons les valeurs n gatives de $\rho(c_{i},c_{j})$ 0. Enfin, afin de la normaliser dans l’intervalle [0,1], nous calculons la similarit contextuelle entre deux concepts $c_{i}$ et $c_{j}$ dans notre approche par: $\gamma(c_{i},c_{j})=\frac{\rho(c_{i},c_{j})}{-\log[\max(P(c_{i}),P(c_{j}))]}$ (12) Il est noter que la mesure PMI d pend de la distribution des concepts dans la base. Plus un concept est rare plus sa PMI est grande. Donc si la distribution des concepts dans la base n’est pas uniforme, il est pr f rable de calculer $\rho$ par: $\rho(c_{i},c_{j})=P(c_{i},c_{j})\log\frac{P(c_{i},c_{j})}{P(c_{i})P(c_{j})}$ (13) ### 3.4 Mesure de Similarit Propos e Pour deux concepts donn s, les mesures de similarit visuelle, conceptuelle et contextuelle sont d’abord normalis es dans le m me intervalle. La normalisation est faite par la normalisation Min-Max. Puis en combinant les mesures pr c dentes, nous obtenons la mesure de similarit s mantique adapt e l’annotation suivante: $\phi(c_{i},c_{j})=\omega_{1}\cdot\overline{\varphi}(c_{i},c_{j})+\omega_{2}\cdot\overline{\pi}(c_{i},c_{j})+\omega_{3}\cdot\overline{\gamma}(c_{i},c_{j})$ (14) o : $\sum_{i=1}^{3}\omega_{i}=1$; $\overline{\varphi}(c_{i},c_{j})$, $\overline{\pi}(c_{i},c_{j})$ et $\overline{\gamma}(c_{i},c_{j})$ sont respectivement la similarit visuelle, la similarit conceptuelle et la similarit contextuelle normalis es. Le choix des pond rations $\omega_{i}$ est tr s important. En effet, selon l’application cibl e, certains pr f reront construire une hi rarchie sp cifique un domaine (qui repr sente le mieux une particularit d’un domaine ou d’un corpus), et pourront donc attribuer un plus fort poids la similarit contextuelle ($\omega_{3}\nearrow$). D’autres pourront vouloir cr er une hi rarchie g n rique, et devront donc donner plus de poids la similarit conceptuelle ($\omega_{2}\nearrow$). Toutefois, si le but de la hi rarchie est plut t de construire une plateforme pour la classification de concepts visuels, il est peut tre avantageux de donner plus de poids la similarit visuelle ($\omega_{1}\nearrow$). ### 3.5 R gles pour la cr ation de la hi rarchie La mesure propos e pr c demment ne permet que de donner une information sur la similarit entre les concepts deux deux. Notre objectif est de regrouper ces diff rents concepts dans une structure hi rarchique. Pour cela, nous d finissons un ensemble de r gles qui permettent d’inf rer les relations d’hypernymie entre les concepts. Nous d finissons d’abord les fonctions suivantes sur lesquelles se basent nos r gles de raisonnement: * • $Closest(c_{i})$ qui retourne le concept le plus proche de $c_{i}$ selon notre mesure: $\begin{split}Closest(c_{i})=\underset{c_{k}\in\mathcal{C}\backslash\\{c_{i}\\}}{\operatorname{argmax}}\phi(c_{i},c_{k})\end{split}$ (15) * • $LCS(c_{i},c_{j})$ permet de trouver l’anc tre commun le plus proche (_Least Common Subsumer_) de $c_{i}$ et $c_{j}$ dans WordNet: $\begin{split}LCS(c_{i},c_{j})=\underset{c_{l}\in\\{H(c_{i})\cap H(c_{j})\\}}{\operatorname{argmin}}len(c_{l},root)\end{split}$ (16) o $H(c_{i})$ permet de trouver l’ensemble des hypernymes de $c_{i}$ dans la ressource WordNet, $root$ repr sente la racine de la hi rarchie WordNet et $len(c_{x},root)$ renvoie la longueur du plus court chemin entre $c_{x}$ et $root$ dans WordNet. * • $Hits_{3}(c_{i})$ renvoie les 3 concepts les plus proche de $c_{i}$ au sens de la fonction $Closest(c_{i})$. (a) $1^{ere}$ R gle. (b) $2^{ieme}$ R gle. (c) $3^{ieme}$ R gle. Figure 2: R gles pour inf rer les liens de parent entre les diff rents concepts. En rouge les pr conditions devant tre satisfaites, en noir les actions de cr ation de nœuds dans la hi rarchie. Nous d finissons ensuite trois r gles qui permettent d’inf rer les liens de parent entre les diff rents concepts. Ces diff rentes r gles sont repr sent es graphiquement sur la figure 2. Ces r gles sont ex cut es selon l’ordre d crit dans la figure 2. La premi re r gle v rifie si un concept $c_{i}$ est class comme le plus proche par rapport plusieurs concepts ($(Closest(c_{j})=c_{i}),\forall j\in\\{1,2,\cdots\\}$). Si oui et si ces concepts $\\{c_{j}\\},\forall j\in\\{1,2,\cdots\\}$, sont r ciproquement dans $Hits_{3}(c_{i})$, alors en fonction de leur LCS ils seront soit reli s directement leur LCS ou dans une structure 2 niveaux, comme illustr dans Figure 2(a). Dans la seconde, si $(Closest(c_{i})=c_{j})$ et $(Closest(c_{j})=c_{i})$ (peut aussi tre crite $Closest(Closest(c_{i}))=c_{i}$) alors $c_{i}$ et $c_{j}$ sont fortement apparent s et seront reli s leur LCS. La troisi me r gle concerne le cas o $(Closest(c_{i})=c_{j})$ et $(Closest(c_{j})=c_{k})$ \- voir Figure 2(c). La construction de la hi rarchie suit une approche ascendante (i.e. commence partir des concepts feuilles) et utilise un algorithme it ratif jusqu’ atteindre le nœud racine. tant donn un ensemble de concepts associ s aux images dans un ensemble d’apprentissage, notre m thode calcule la similarit $\phi(c_{i},c_{j})$ entre toutes les paires de concepts, puis relie les concepts les plus apparent s tout en respectant les r gles d finies pr c demment. La construction de la hi rarchie se fait donc pas- -pas en ajoutant un ensemble de concepts inf r s des concepts du niveau inf rieur. On it re le processus jusqu’ ce que tous les concepts soient li s un nœud racine. ## 4 R sultats Exp rimentaux Pour valider notre approche, nous comparons la performance d’une classification plate d’images avec une classification hi rarchique exploitant la hi rarchie construite avec notre approche sur les donn es de Pascal VOC’2010 (11 321 images, 20 concepts). ### 4.1 Repr sentation Visuelle Pour calculer la similarit visuelle des concepts, nous avons utilis dans notre approche le mod le de sac-de-mots visuels (Bag of Features) (BoF). Le mod le utilis BoF est construit comme suit: d tection de caract ristiques visuelles l’aide des d tecteurs DoG de Lowe [22], description de ces caract ristiques visuelles en utilisant le descripteur SIFT [22], puis g n ration du dictionnaire eu utilisant un K-Means. Le dictionnaire g n r est un ensemble de caract ristiques suppos es tre repr sentatives de toutes les caract ristiques visuelles de la base. tant donn e la collection de patches (point d’int r t) d tect s dans les images de l’ensemble d’apprentissage, nous g n rons un dictionnaire de taille $D=1000$ en utilisant l’algorithme k-Means. Ensuite, chaque patch dans une image est associ au mot visuel le plus similaire dans le dictionnaire en utilisant un arbre KD. Chaque image est alors repr sent e par un histogramme de $1000$ mots visuels (1000 tant la taille du codebook), o chaque bin dans l’histogramme correspond au nombre d’occurrences d’un mot visuel dans cette image. ### 4.2 Pond ration Comme ce travail vise construire une hi rarchie adapt e l’annotation et la classification d’images, nous avons fix les facteurs de pond ration de mani re exp rimentale comme suit : $\omega_{1}=0.4$, $\omega_{2}=0.3$, et $\omega_{3}=0.3$. Nos exp rimentations sur l’impact des poids ($\omega_{i}$) ont galement montr que la similarit visuelle est plus repr sentative de la similarit s mantique des concepts, comme cela est illustr sur la figure 3 avec la hi rarchie produite. Cette hi rarchie est construite sur les donn es de Pascal VOC’2010. Figure 3: La hi rarchie s mantique construite sur les donn es de Pascal VOC en utilisant la mesure propos e et les r gles de construction. Les nœuds en double octogone sont les concepts de d part, le nœud en diamant est la racine de la hi rarchie construite et les autres sont les nœuds inf r s. $\phi(c_{i},c_{j})=0.4\cdot\overline{\varphi}(c_{i},c_{j})+0.3\cdot\overline{\pi}(c_{i},c_{j})+0.3\cdot\overline{\gamma}(c_{i},c_{j})$ ### 4.3 Evaluation Figure 4: Comparaison de la Pr cision Moyenne (AP) entre la classification plate et hi rarchique sur les donn es de Pascal VOC’2010. (a) Concept Person. (b) Concept Tv_monitor. Figure 5: Courbes Rappel/Pr cision pour la classification hi rarchique (en +) et plate (en trait) pour les concepts "Personne" et "TV_Monitor". Pour valuer notre approche, nous avons utilis 50% des images du challenge Pascal VOC’2010 pour l’apprentissage des classifieurs et les autres pour les tests. Chaque image peut appartenir une ou plusieurs des 20 classes (concepts) existantes. La classification plate est faite par l’apprentissage de $\mathcal{N}$ SVM binaires un-contre-tous, o les entr es sont les repr sentations en BoF des images de la base et les sorties sont les r ponses du SVM pour chaque image (1 ou -1) - pour plus de d tails voir la section 3.1. Un probl me important dans les donn es de Pascal VOC est que les donn es ne sont pas quilibr es, i.e. plusieurs classes ne contiennent qu’une centaine d’images positives parmi les 11321 images de la base. Pour rem dier ce probl me, nous avons utilis la validation crois e d’ordre 5 en prenant chaque fois autant d’images positives que n gatives. La classification hi rarchique est faite par l’apprentissage d’un ensemble de ($\mathcal{N}$+$\mathcal{M}$) classifieurs hi rarchiques conformes la structure de la hi rarchie d crite dans la figure 3. $\mathcal{M}$ est le nombre de nouveaux concepts cr s lors de la construction de la hi rarchie. Pour l’apprentissage de chacun des concepts de la hi rarchie, nous avons pris toutes les images des nœuds fils (d’un concept donn ) comme positives et toutes les images des nœuds fils de son anc tre imm diat comme n gatives. Par exemple, pour apprendre un classifieur pour le concept "Carnivore", les images de "Dog" et "Cat" sont prises comme positives et les images de "Bird", "Sheep", "Horse" et "Cow" comme n gatives. Ainsi chaque classifieur apprend diff rencier une classe parmi d’autres dans la m me cat gorie. Durant la phase de test de la classification hi rarchique et pour une image donn e, on commence partir du nœud racine et on avance par niveau dans la hi rarchie en fonction des r ponses des classifieurs des nœuds interm diaires, jusqu’ atteindre un nœud feuille. Notons qu’une image peut prendre plusieurs chemins dans la hi rarchie. Les r sultats sont valu s avec les courbes rappel/pr cision et le score de pr cision moyenne. La Figure 4 compare les performances de nos classifieurs hi rarchiques avec les performances de la classification plate. L’utilisation de la hi rarchie propos e comme un cadre de classification hi rarchique assure des meilleures performances qu’une classification plate, avec une am lioration moyenne de +8.4%. Notons que ces r sultats sont obtenus en n’utilisant que la moiti des images du jeu d’apprentissage de Pascal VOC. En effet, en l’absence des images de test utilis es dans le challenge, nous avons utilis le reste de l’ensemble d’apprentissage pour faire les tests. Nous avons aussi inclus les images marqu es comme difficiles dans les valuations de notre m thode. La pr cision moyenne de notre classification hi rarchique est de 28,2%, alors que la classification plate reste 19,8%. On peut donc remarquer une nette am lioration des performances avec l’utilisation de la hi rarchie propos e. La Figure 5 montre les courbes de rappel/pr cision des concepts "Personne" et "TV_Monitor" en utilisant la classification hi rarchique et plate. Une simple comparaison entre ces courbes montre que la classification hi rarchique permet d’avoir un meilleur rendement tous les niveaux de rappel. Cependant, il serait int ressant de tester notre approche sur une plus grande base, avec plus de concepts, pour voir si la hi rarchie construite pour la classification des images passe l’ chelle. ## 5 Conclusion Ce papier pr sente une nouvelle approche pour construire automatiquement des hi rarchies adapt es l’annotation s mantique d’images. Notre approche est bas e sur une nouvelle mesure de similarit s mantique qui prend en compte la similarit visuelle, conceptuelle et contextuelle. Cette mesure permet d’estimer une similarit s mantique entre concepts adapt e la probl matique de l’annotation. Un ensemble de r gles est propos pour ensuite effectivement relier les concepts entre eux selon la pr c dente mesure et leur anc tre commun le plus proche dans WordNet. Ces concepts sont ensuite structur s en hi rarchie. Nos exp riences ont montr que notre m thode fournit une bonne mesure pour estimer la similarit des concepts, qui peut aussi tre utilis e pour la classification d’images et/ou pour raisonner sur le contenu d’images. Nos recherches futures porteront sur l’ valuation de notre approche sur des plus grandes bases d’images (MirFlicker et ImageNet) et sa comparaison avec l’ tat de l’art. ## References * [1] S. Banerjee and T. Pedersen. Extended gloss overlaps as a measure of semantic relatedness. In International Joint Conference on Artificial Intelligence (IJCAI’03), 2003. * [2] H. Bannour. Une approche s mantique bas e sur l’apprentissage pour la recherche d’image par contenu. In COnf rence en Recherche d’Infomations et Applications (CORIA’09), pages 471–478, 2009. * [3] H. Bannour and C. Hudelot. Towards ontologies for image interpretation and annotation. In Content-Based Multimedia Indexing (CBMI’11), pages 211 –216, 2011. * [4] H. Bannour and C. Hudelot. Building semantic hierarchies faithful to image semantics. In advances in Multimedia Modeling (MMM’12), volume 7131 of Lecture Notes in Computer Science, pages 4–15. Springer, 2012. * [5] K. Barnard, P. Duygulu, D. Forsyth, N. de Freitas, D. M. Blei, and M. I. Jordan. Matching words and pictures. Journal of Machine Learning Research, 3:1107–1135, 2003. * [6] E. Bart, I. Porteous, P. Perona, and M. Welling. Unsupervised learning of visual taxonomies. In Computer Vision and Pattern Recognition (CVPR’08), 2008. * [7] D. M. Blei, T. L. Griffiths, M. I. Jordan, and J. B. Tenenbaum. Hierarchical topic models and the nested chinese restaurant process. In Neural Information Processing Systems (NIPS’04), 2004. * [8] A. Budanitsky and G. Hirst. Evaluating wordnet-based measures of lexical semantic relatedness. Computational Linguistics, 32:13–47, 2006. * [9] K. W. Church and P. Hanks. Word association norms, mutual information, and lexicography. Comput. Linguist., 16:22–29, March 1990. * [10] C. Cortes and V. Vapnik. Support-vector networks. Machine Learning, 20, 1995. * [11] J. Deng, A. C. Berg, K. Li, and L. Fei-Fei. What does classifying more than 10,000 image categories tell us? In European Conference on Computer Vision (ECCV’10), 2010. * [12] J. Deng, W. Dong, R. Socher, L.-J. Li, K. Li, and L. Fei-Fei. Imagenet: A large-scale hierarchical image database. In Computer Vision and Pattern Recognition (CVPR’09), 2009. * [13] J. Fan, Y. Gao, and H. Luo. Hierarchical classification for automatic image annotation. In Conference on research and development in information retrieval (SIGIR’07), pages 111–118, 2007. * [14] J. Fan, Y. Gao, and H. Luo. Integrating concept ontology and multitask learning to achieve more effective classifier training for multilevel image annotation. IEEE Transaction on Image Processing, 17(3), 2008. * [15] J. Fan, H. Luo, Y. Shen, and C. Yang. Integrating visual and semantic contexts for topic network generation and word sense disambiguation. In ACM international Conference on Image and Video Retrieval (CIVR’09), 2009. * [16] C. Fellbaum. WordNet: An Electronic Lexical Database. MIT Press, 1998. * [17] G. Griffin and P. Perona. Learning and using taxonomies for fast visual categorization. In Computer Vision and Pattern Recognition (CVPR’08), 2008. * [18] A. Hauptmann, R. Yan, and W.-H. Lin. How many high-level concepts will fill the semantic gap in news video retrieval? In ACM international Conference on Image and Video Retrieval (CIVR’07), pages 627–634, 2007. * [19] V. Lavrenko, R. Manmatha, and J. Jeon. A model for learning the semantics of pictures. In Neural Information Processing Systems (NIPS’03), 2003. * [20] L.-J. Li, C. Wang, Y. Lim, D. M. Blei, and F.-F. Li. Building and using a semantivisual image hierarchy. In Computer Vision and Pattern Recognition (CVPR’10), 2010. * [21] Y. Liu, D. Zhang, G. Lu, and W.-Y. Ma. A survey of content-based image retrieval with high-level semantics. Pattern Recognition, 40(1):262–282, 2007. * [22] D. G. Lowe. Object recognition from local scale-invariant features. In International Conference on Computer Vision (ICCV’99), 1999\. * [23] M. Marszalek and C. Schmid. Semantic hierarchies for visual object recognition. In Computer Vision and Pattern Recognition (CVPR’07), pages 1–7, 2007. * [24] M. Naphade, J. R. Smith, J. Tesic, S.-F. Chang, W. Hsu, and L. Kennedy. Large-scale concept ontology for multimedia. IEEE MultiMedia, 13:86–91, 2006. * [25] S. Patwardhan and T. Pedersen. Using wordnet-based context vectors to estimate the semantic relatedness of concepts. In Proceedings of the EACL 2006 Workshop on Making Sense of Sense: Bringing Computational Linguistics and Psycholinguistics Together, pages 1–8, April 2006. * [26] P. Resnik. Using information content to evaluate semantic similarity in a taxonomy. In International Joint Conferences on Artificial Intelligence (IJCAI’95), 1995. * [27] L. B. Romdhane, H. Bannour, and B. el Ayeb. Imiol: a system for indexing images by their semantic content based on possibilistic fuzzy clustering and adaptive resonance theory neural networks learning. Applied Artificial Intelligence, 24(9):821–846, 2010. * [28] J. Sivic, B. C. Russell, A. Zisserman, W. T. Freeman, and A. A. Efros. Unsupervised discovery of visual object class hierarchies. In Computer Vision and Pattern Recognition (CVPR’08), 2008. * [29] A. W. M. Smeulders, M. Worring, S. Santini, A. Gupta, and R. Jain. Content-based image retrieval at the end of the early years. IEEE Transaction Pattern Analysis and Machine Intelligence, 22:1349–1380, 2000. * [30] A. Tousch, S. Herbin, and J.-Y. Audibert. Semantic hierarchies for image annotation: a survey. Pattern Recognition, 2011. * [31] X.-Y. Wei and C.-W. Ngo. Ontology-enriched semantic space for video search. In ACM Multimedia (MM’07), pages 981–990, 2007. * [32] L. Wu, X.-S. Hua, N. Yu, W.-Y. Ma, and S. Li. Flickr distance. In ACM Multimedia (MM’08), pages 31–40, 2008. * [33] B. Yao, X. Yang, L. Lin, M. W. Lee, and S. C. Zhu. I2t: Image parsing to text description. In Proceedings of IEEE, 2009.
arxiv-papers
2013-04-18T09:40:12
2024-09-04T02:49:44.577457
{ "license": "Public Domain", "authors": "Hichem Bannour and C\\'eline Hudelot", "submitter": "Hichem Bannour", "url": "https://arxiv.org/abs/1304.5063" }
1304.5193
# Acoustic emission from magnetic flux tubes in the solar network G Vigeesh1 and S S Hasan2 1 Department of Astronomy, New Mexico State University, Las Cruces, NM, U.S.A. 2 Indian Institute of Astrophysics, Koramangala, Bangalore, India [email protected], [email protected] ###### Abstract We present the results of three-dimensional numerical simulations to investigate the excitation of waves in the magnetic network of the Sun due to footpoint motions of a magnetic flux tube. We consider motions that typically mimic granular buffeting and vortex flows and implement them as driving motions at the base of the flux tube. The driving motions generates various MHD modes within the flux tube and acoustic waves in the ambient medium. The response of the upper atmosphere to the underlying photospheric motion and the role of the flux tube in channeling the waves is investigated. We compute the acoustic energy flux in the various wave modes across different boundary layers defined by the plasma and magnetic field parameters and examine the observational implications for chromospheric and coronal heating. ## 1 Introduction Observations of the solar surface in various filtergrams show a distribution of bright points, which are generally associated with an underlying concentrated magnetic field located in intergranular lanes [1]. Magnetic flux accumulates here after being swept in by granular flow forming strong vertical flux tubes at the junction of granules. The continually changing solar photosphere perturbs these magnetic structures resulting in the generation of magnetohydrodynamic (MHD) waves that propagate within the flux tube and also into the ambient plasma. The waves are excited by impulses imparted by granules. Eventually, the flux tubes are advected towards regions of stronger downdrafts present at the intersections of two or more granules where convectively driven vortex flows occur. The footpoints of the magnetic field structures are dragged in the vortex resulting in, presumably, a different source of wave excitation in the flux tube [2]. The conditions that prevail in the lower atmosphere impacts the upper layers, primarily through magnetic fields. Estimating the energy supplied by various photospheric disturbance will help us to determine the fraction of the overall heating of the upper atmosphere by wave sources. In order to examine energy transport to the outer layers of the quiet solar atmosphere mediated by magnetic fields [3, 4, 5, 6], we need to clearly understand how the magnetic flux tube reacts to different types of perturbations. Despite being idealized representations of the actual processes, studies have shown that various wave-driven energy transport mechanisms are possible in a magnetized atmosphere [7, 8, 9, 10, 11, 12]. Further investigations could reveal how these processes contribute to the overall energy budget and shed light on the significance of wave related sources. The purpose of this paper is to study two such scenarios with the aim of evaluating them in terms of their contribution to the heating of chromosphere and corona. In this paper, we investigate the excitation of waves in magnetic flux tubes extending vertically through the solar atmosphere. This work is an extension of our previous study [12] that dealt with 3D modeling of MHD wave propagation in a magnetic flux tube embedded in a stratified atmosphere. We showed that there are possibly more than one mechanism of wave production effective which can lead to temporal variations of the emission that occur at chromospheric heights above these elements. In this paper our focus is to investigate the generations of acoustic waves excited by these perturbations and estimate the acoustic energy flux at different levels in the flux-tube. We calculate and compare the acoustic emission from various boundaries in the flux-tube and also from different $\beta$ (the ratio of gas to magnetic pressure) surfaces as a result of the excitation. ## 2 Equilibrium Model and Boundary Conditions Details of the equilibrium model that we consider in this study are given in [12]. Briefly, we consider an intense (kG field strength at the base) axially symmetric magnetic flux tube in a stratified solar model atmosphere that is in magnetostatic equilibrium. The temperature in the model increases with height to include the chromospheric temperature rise. The footpoint of the flux tube is located in the solar photosphere. The mathematical construction of the flux tube is described in the Appendix of [12] and the equilibrium properties of the flux tube are given in Table 1. Table 1: The equilibrium model parameters on the axis of the flux tube and ambient medium (values shown within brackets). Height | T | $\rho$ | P | cS | vA | B | $\beta$ ---|---|---|---|---|---|---|--- | (K) | (kg m-3) | (N m-2) | (km s-1) | (km s-1) | (G) | $z$=1 Mm | 7263 | 3.4 $\times$ 10-8 | 1.6 | 8.8 | 77.7 | 161 | 64 (7195) | (1.0 $\times$ 10-7) | (4.8) | (8.7) | (39.2) | (141) | (16) $z$=0 Mm | 4768 | 1.3 $\times$ 10-4 | 4.2 $\times$ 103 | 7.1 | 10.9 | 1435 | 1.9 (4766) | (4.0 $\times$ 10-4) | (1.2 $\times$ 104) | (7.1) | (0.003) | (0.77) | (1.9 $\times$ 10-7) | | | | | | | The plasma-$\beta=1$ surface essentially outlines the flux tube boundary in the lower part of the tube. In these layers, $\beta<1$ inside the flux tube as shown in Fig 1. Figure 1: Two-dimensional representation of the flux-tube model. The solid lines mark the magnetic field lines on a $x$-$z$ plane at $y=0$ Mm. The $\beta=1$ () and $\beta=0.1$ () contours are also shown. Wave excitation is carried out by implementing velocity drivers at the bottom boundary. We use a horizontal driver to mimic the granular buffeting motion and a torsional driver to mimic the effect of vortex-like motion. The driving motions at the bottom boundary are specified using the following velocity drivers. $\displaystyle V_{x}(x,y,0,t)=\left\\{\begin{array}[]{l l}\displaystyle V_{0}\sin(2\pi t/P)&\mbox{for}\quad 0\leq t\leq P/2\,,\\\\[4.30554pt] \displaystyle 0&\mbox{for}\quad 0>t>P/2\,.\end{array}\right.{\rm(Horizontal)}$ (3) $\displaystyle V_{\phi}(x,y,0,t)=\left\\{\begin{array}[]{l l}\displaystyle-V_{0}\tanh\left(\frac{2\pi r}{\delta r}\right)\sin\left(\frac{2\pi t}{P}\right)&\quad 0\leq t\leq P/2,\\\\[4.30554pt] \displaystyle 0&\quad\phantom{0>}t>P/2.\end{array}\right.{\rm(Torsional)}$ (6) These driving motions generate slow (predominantly acoustic) and fast (predominantly magnetic) waves in the model along with the intermediate Alfvén wave which we do not consider in this study. ## 3 Numerical Simulation The three-dimensional numerical simulations were carried out using the Sheffield Advanced Code [13]. The code uses a modified version of the set of MHD equations to deal with a strongly stratified magnetized medium. In this study, we solve the full set of ideal magnetohydrodynamic equations in three dimensions to study the propagation of waves in the computational domain. The domain is a 1 Mm $\times$ 1 Mm $\times$ 1 Mm cube discretized on 100 $\times$ 100 $\times$ 100 grid points. We use transmitting boundary conditions at the top and side boundaries to allow the waves to propagate out of the simulation box. The simulation starts with a localized, time dependent perturbation at the bottom boundary resulting in the excitation of various kinds of MHD modes with different strength. The gas pressure perturbations drive slow magneto-acoustic wave (SMAW) within the $\beta<$1 region and fast magneto-acoustic wave (FMAW) in the ambient medium where $\beta>$1\. The magneto-acoustic wave propagation can be seen in the velocity and temperature perturbation in the medium as shown in Fig 2. We notice that the horizontal excitation generates strong SMAW within the flux tube as can be seen in the temperature fluctuations. Since the SMAW propagates along field lines, we also see strong velocity parallel to the field lines. The torsional excitation on the other hand generates SMAW that are weaker than those generated by the horizontal driver. Figure 2: Top: Temperature perturbations at t=20 s,60 s, and 100 s at different heights as a result of a transversal uni-directional excitation. Bottom: Temperature fluctuations as a result of torsional excitation. The projected velocity vectors on the $x$-$y$ plane are shown at each height. The thick blue curve depicts the $\beta$=1 region and the blue dashed curve shows the $\beta$=0.1 region. In the previous study [12], we estimated the energy transport by MHD waves for the two driving cases. The energy fluxes were calculated on a representative field line and we showed that there is a strong acoustic flux associated with SMAW in the case of the horizontal excitation, which is two orders of magnitude more than that for the case of torsional excitation. However, these studies were restricted to a single field line and hence it was not possible to assess the response of the whole flux tube to the different perturbations that were considered. In this paper, we extend the previous study by looking at the flux tube as a whole and estimating the total acoustic emission from various physical surfaces relevant to the model. Due to the nature of the drivers, the analysis on a single field line depends wholly on the location of the footpoint of the chosen field line with respect to the driving motion. Especially, in the case of a horizontal motion, where the strongest perturbations is localized to a small region on either side of the $y=0$ plane. Also, since the velocity driver acts in region where $\beta<1$ (close to the axis) as well as $\beta>1$ (outer regions), a field line located in either of these region sees a different mode of magneto-acoustic wave. Considering an ensemble of field lines will give a better idea about the reaction of the flux tube as a whole to the excitation at the base. ## 4 Results ### 4.1 Longitudinal & Lateral emission Apart from acting as a conduit for MHD waves to the overlying layers, the perturbed flux tube also transfers energy to the ambient medium in the form of acoustic waves. It is interesting to look at acoustic energy flux leaking out of the flux tube boundary and how it depends on the nature of the excitation that the flux tube undergoes. Since we consider here a thick flux tube, a strict definition of the flux tube boundary is ambiguous. However, for the purpose of this study, we choose the surfaces of equal magnetic potential or the magnetic isosurface as representative levels in the flux tube for purposes of calculating the fluxes. The cross-section of the magnetic isosurface at any given height is a circle centered at the axis, due to the cylindrical symmetry of the initial model. This allows us to define a circle at a radial distance $r$ of the flux tube on any horizontal plane. We calculate the acoustic flux on three magnetic isosurfaces crossing radial distance of $r=0.2~{}$Mm, $0.3~{}$Mm and $0.4~{}$Mm from the axis of the flux tube at $z=1~{}$Mm. The magnetic field lines that define this isosurface can be identified from the equilibrium model and they remain the same throughout the simulation, allowing us to calculate physical quantities on this surface as it evolves. The velocity vector at any point on this surface can be decomposed into three orthogonal components, viz. parallel (${v_{s}}$), normal (${v_{n}}$) and azimuthal (${v_{\phi}}$) component. The calculation of these component for a single field line is described in [12]. Using these velocity components for a collection of field lines defining various isosurfaces, we calculate the parallel and normal acoustic fluxes according to, $F_{\rm s,n}=\Delta p{v_{\rm s,n}}$ (7) where $\Delta p$ is the gas pressure perturbation from the equilibrium. Acoustic fluxes are calculated on field lines corresponding to three magnetic isosurfaces. In Figure 3, the left panel shows the time averaged parallel acoustic fluxes ($F_{\rm s}$) on field lines associated with different isosurfaces as a function of height. The horizontal excitation results in relatively stronger acoustic emission compared to torsional excitation in the lower part of the flux tube. But, the averaged fluxes tend to be similar as we go higher up in the atmosphere, since in the horizontal excitation case, only a small fraction of field lines on either side of the tube partake in transporting the longitudinal fluxes. The right panel of Fig. 3 shows the time averaged acoustic flux directed normal to the flux-tube boundaries, which is significantly lower than the fluxes directed along the field lines in the tube. Figure 3: Left: Time-averaged longitudinal acoustic flux on the three isosurfaces for the horizontal (Solid lines) and torsional(dashed lines) excitation cases. Right Normal acoustic flux on the three isosurfaces. ### 4.2 $\beta$-surface emission The surface of equipartition ($\beta$=1 layer) between thermal and magnetic energy density influences the MHD modes by acting as region of wave transmission and conversion. As a preliminary step towards understanding this region more closely, we look at the acoustic energy flux crossing normal to the surfaces of constant plasma $\beta$ surface ($\beta$ isosurfaces). In this study, we mainly focus on the $\beta=1$ isosurface, since this is where the different MHD modes undergo strong coupling which eventually leads to the generation of Alfvén waves in the upper chromosphere. The whole process proceeds in two stages. Initially, the magneto-acoustic modes encounter the equipartition zone as they propagate to the upper layers of the atmosphere. The energy in the modes get redistributed partially by transmission and partially by conversion to other modes. The transmission and conversion depends on the properties of the wave and the background magnetic field across this zone of influence [14]. In the second stage, the mode converted magnetic wave (FMAW) propagates up to a certain height after which it gets partially reflected down and partially gets converted to Alfvén waves due to steep gradients in the Alfvén speed [15]. A better understanding of the energy distribution during the initial stage where mode coupling occurs across the $\beta=1$ surface is nessasary to further evaluate the energy available for Alfvén wave. To this end, we look at the acoustic flux directed normal to the surface of $\beta=1$ and compare it with that from a $\beta=0.1$ isosorface which lies well above in the atmosphere. It should be noted that in the lower part of the flux tube, the $\beta=1$ surface normal points towards the axis of the flux-tube. Figure 4 shows the spatially averaged acoustic flux directed normal to the surfaces of constant $\beta$ for $\beta$=1 and 0.1 as a function of time. We clearly see that the acoustic emission from the $\beta$=1 surface is stronger compared to the emission on the $\beta$=0.1 surface for both horizontal and torsional excitations. The $\beta$=1 surface responds more efficiently to a horizontal uni-directional motion at the foot-point by emitting more acoustic flux normal to the surface. Our analysis is limited by the fact that we consider a strong flux tube where the $\beta=1$ surface dips below the bottom boundary near the axis of the flux tube. To have a better understanding about this layer, we need to look at flux tubes models with $\beta=1$ surfaces at different levels in the atmosphere. Figure 4: Time evolution of the normal acoustic flux on $\beta$=1 (solid line) and $\beta$=0.1 (dotted) surface for horizontal (red line) and torsional (blue) excitation of a magnetic flux tube ## 5 Summary & Conclusions Three dimensional numerical simulation of wave propagation in a magnetic flux tube embedded in a solar atmosphere were carried out. We investigated two types of excitation mechanism, viz. transversal and torsional, that are characteristic processes by which waves can be generated in the real solar atmosphere. We calculated the acoustic energy components at various levels in the flux tube as well as on the surfaces defined by constant plasma $\beta$ of the flux tube due to the driving footpoint motions. We observe that the acoustic power is predominantly directed vertically upward along the flux tube in both cases. The lateral acoustic emission from the boundary of the flux tube in both cases of horizontal and torsional excitations is much lower. The magnetic flux tube acts as an efficient conduit for acoustic waves, with negligible acoustic leakage from the tube boundary. Most of the acoustic energy produced due to photospheric disturbances are efficiently transported and are made available to higher layers regardless of the source of the disturbance. As far as the comparison between the two excitation scenarios in terms of acoustic energy transport to upper layers is concerned, we have not been able to conclusively point out which of the two mechanisms is more efficient. This is partly due to the axisymmetric equilibrium model that we have used and the idealistic driving mechanisms that we consider in the study. Nevertheless, our analysis supports that the magnetic field mediates the coupling between various photospheric disturbances and the upper layers. However meagre their contribution to the overall energy output is, these scenarios must be considered when evaluating the available energy sources for the heating of chromosphere and corona. The surface of equipartition between magnetic and thermal energy density ($\beta=1$) is a strong source of acoustic emission in both excitation scenarios and would be the focus of future investigations. ## References * [1] de Wijn A G, Stenflo J O, Solanki S K and Tsuneta S 2009 Space Sci. Rev. 144 275–315 * [2] Jess D B, Mathioudakis M, Erdélyi R, Crockett P J, Keenan F P and Christian D J 2009 Science 323 1582–1585 * [3] Hasan S S and van Ballegooijen A A 2008 Astrophys. J. 680 1542–1552 * [4] van Ballegooijen A A, Asgari-Targhi M, Cranmer S R and DeLuca E E 2011 Astrophys. J. 736 * [5] Kato Y, Steiner O, Steffen M and Suematsu Y 2011 Astrophys. J. Lett. 730 L24 * [6] Wedemeyer-Böhm S, Scullion E, Steiner O, Rouppe van der Voort L, de La Cruz Rodriguez J, Fedun V and Erdélyi R 2012 Nature 486 505–508 * [7] Hasan S S, van Ballegooijen A A, Kalkofen W and Steiner O 2005 Astrophys. J. 631 1270–1280 * [8] Khomenko E, Collados M and Felipe T 2008 Sol. Phys. 251 589–611 * [9] Vigeesh G, Hasan S S and Steiner O 2009 Astron. Astrophys. 508 951–962 * [10] Kitiashvili I N, Kosovichev A G, Mansour N N and Wray A A 2011 Astrophys. J. Lett. 727 * [11] Fedun V, Verth G, Jess D B and Erdélyi R 2011 Astrophys. J. Lett. 740 L46 * [12] Vigeesh G, Fedun V, Hasan S S and Erdélyi R 2012 Astrophys. J. 755 18 * [13] Shelyag S, Fedun V and Erdélyi R 2008 Astron. Astrophys. 486 655–662 * [14] Cally P S 2007 Astron. Nachr. 328 286 * [15] Khomenko E and Cally P S 2012 Astrophys. J. 746 68
arxiv-papers
2013-04-18T17:16:58
2024-09-04T02:49:44.585059
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "G. Vigeesh and S. S. Hasan", "submitter": "G Vigeesh", "url": "https://arxiv.org/abs/1304.5193" }
1304.5260
Currently at ]Institute of Evolutionary Sciences, University of Montpellier II, Montpellier 34095, France Also at ]UC Berkeley and San Francisco Art Institute, San Francisco, California, USA # Effects of mixing in threshold models of social behavior Andrei R. Akhmetzhanov [email protected] [ Lee Worden [email protected] [ Jonathan Dushoff [email protected] Theoretical Biology Laboratory, Department of Biology, McMaster University, Hamilton, Ontario L8S4K1, Canada ###### Abstract We consider the dynamics of an extension of the influential Granovetter model of social behavior, where individuals are affected by their personal preferences and observation of the neighbors’ behavior. Individuals are arranged in a network (usually, the square lattice) and each has a state and a fixed threshold for behavior changes. We simulate the system asynchronously either by picking a random individual and either update its state or exchange it with another randomly chosen individual (mixing). We describe the dynamics analytically in the fast-mixing limit by using the mean-field approximation and investigate it mainly numerically in case of a finite mixing. We show that the dynamics converge to a manifold in state space, which determines the possible equilibria, and show how to estimate the projection of manifold by using simulated trajectories, emitted from different initial points. We show that the effects of considering the network can be decomposed into finite-neighborhood effects, and finite-mixing-rate effects, which have qualitatively similar effects. Both of these effects increase the tendency of the system to move from a less-desired equilibrium to the “ground state”. Our findings can be used to probe shifts in behavioral norms and have implications for the role of information flow in determining when social norms that have become unpopular (such as foot binding or female genital cutting) persist or vanish. Social norms, Threshold models, Random-field Ising models, Mixing ###### pacs: 89.65.-s,05.40.-a,89.75.-k ## I Introduction In this paper, we investigate a simple model of behavior, the threshold model (TM) Schelling1971 ; Granovetter1978 . It consists of $N$ individuals arranged in a network. Each individual, described by a state variable $s_{i}$ ($i=1,\ldots,N$), has either adopted or rejected the behavior in question and has a tendency to switch to adopting (rejecting) if the proportion of individuals in its neighborhood adopting the behavior is greater (less) than its (constant) threshold $T_{i}$. Individuals are chosen at random to be “updated” – i.e., to consider, and possibly change (“flip”) their state. We make an analogy with physics by thinking of the individual’s state as a ‘spin’ with value $+1$ ($-1$) for those who adopt (reject) the behavior. Threshold models are relevant to questions of how patterns of behavior persist, even when attitudes change, and how these patterns can sometimes change rapidly. A currently relevant example is the practice of _female genital cutting_ (FGC), which goes back at least to ancient Egypt Kennedy2009 . Despite a public health consensus that the practice is harmful WHO2008 , traditional practice remains widespread in various societies TagEldin2008 ; UNICEF2010 . A similar example is the Chinese practice of footbinding, which was widely practiced for hundreds of years, before disappearing rapidly Mackie1996 . These practices can be considered in the context of the theory of “social norms”, behaviors which individuals prefer to follow, _given that they think that others will conform, and that others expect them to conform_ Bicchieri2006 . Many similar individual-based models are also based on individuals making binary choices SanMiguel2005 ; Castellano2009 . Usually, the voter model Liggett1999 is associated with imitation process, since a randomly chosen individual adopts the behavior of one of its neighbors. In this sense, the TM puts the social pressure in the framework: the adoption or rejection of the behavior by an individual depends on the current level of adoption in its neighborhood Vilone2012 . The majority rule model (MR, see Krapivsky2003 ) is a special case of the TM, since all thresholds are one half (the randomly chosen individual tends to flip if the _majority_ of its neighbors have opposite spin). It has been shown that the majority rule model can be described by the classical Ising model with zero external magnetic field Krapivsky2003 and that the general TM can be described as a random-field Ising model (RFIM) Barra2012 . The study of RFIMs in physics often focuses on critical temperature phenomena Dorogovtsev2008 or metastable states and hysteresis loop phenomena at zero temperature Sethna1993 ; Rosinberg2009b . Instead of using the notion of the thermodynamic temperature, where individuals probabilistically flip in a non-preferred direction, see, for example, Brock2001 ; Malarz2011 , we chose to set the thermodynamic temperature to zero and study the effects of mixing on the dynamics. We simulate our model on a two-dimensional lattice, with global mixing. We implement mixing by allowing individuals to exchange places within the network at rate $\mu$ (relative to the update rate). The importance of mixing in sociological and ecological studies has been demonstrated in other contexts Levin1974 ; Blasius1999 ; Agliari2006 ; Reichenbach2007 . Introducing global mixing on a two-dimensional lattice is similar in concept to using a “small- world” network Watts1998 . Both cases have regular connections, and random global connections – the difference is that we implement random global connections by switching individuals. We simulate behavior change by either choosing an individual at random to update or mixing two individuals in each step of the simulation. Mixing consists of exchanging two randomly chosen individuals rather than updating in a given simulation step, with probability $\mu/(1+\mu)$, so that we have an average of $\mu$ switches per update. We increment the clock by $1/N$ per update event. This gives us update events at rate 1 per individual and mixing events at rate $\mu$ per individual. When we mix individuals, we exchange their states and thresholds, leaving the network otherwise unchanged. A synchronous process or a pure Poisson process would be expected to give qualitatively similar results, but this asynchronous process is simpler to simulate, and can be analyzed using an ordinary differential equation (ODE) framework derived from master equations. Most analytical results in the field of TMs/RFIMs are obtained using mean- field approximations Dominicis2006 ; Krapivsky2010 . This can be achieved either by considering a complete network (where every node is a neighbor of every other node), or by setting the mixing rate $\mu\gg 1$. The intermediate mixing case $\mu\sim 1$ is not so easily treated. If we write equations for the moments of different order for the distribution of states among individuals, we get a hierarchical system of coupled equations Krapivsky2010 . There are then various methods to “close” the system by approximating higher moments in terms of lower moments Bolker1999 ; Murrell2004 ; Murrell2009 . In Toral2007 , the authors considered a MR model, and concluded that the behavior of their system resembles the movement of a Brownian particle in a potential field that is unknown _a priori_. We describe such an “effective potential” function for our threshold model and calculate the analytical potential form for the mean-field version of the model. We can use the effective potential to provide an additional perspective on the dynamical properties of the system. The bifurcation where the system changes from having one stable equilibrium to two, for example, corresponds to a change from a single-welled to a double-welled effective potential function. In terms of an Ising-like model, this would correspond to a phase transition of the first order. This bifurcation is relevant from a sociological point of view, since a transformation from a potential consisting of two wells to a potential consisting of one well, due to a change of mixing rate, could give rise to sudden abandonment or adoption of a social norm. In contrast, if such transformation does not occur, even when one well is much deeper than the other, this might help to explain why a human society sometimes continues to support a fairly unpopular social norm for many years Bicchieri2006 . In this paper we explore the dynamics of this system using a Gaussian threshold distribution. It is not necessary to truncate the distribution, since we can simply assume that if the threshold is ${<}0$ (or ${>}1$), an individual will always be updated to its preferred state independent of its neighborhood configuration. We expect other flexible distributions to give similar qualitative results. For example, even uniform distributions show the same basic bifurcations that we explore here Granovetter1978 . We have also tried simulations with bimodal superpositions of Gaussians, and again seen qualitatively similar results. Here is how we organize the rest of the paper. First we consider the mean- field dynamics which are given by the fast-mixing and large-scale ($N\gg 1$) limits. Then we consider the intermediate mixing rates and state the main results of our paper: we discuss the bifurcation phenomena found in the TM and we demonstrate the appearance of a manifold in the dynamics that is approached by any trajectory of the TM. Finally, we interpret our main results from a sociological point of view, and draw conclusions. ## II Mean-field approximation First, consider the case in which the neighborhood size is so large that each spin is connected with all other spins in the network. In this case, we recover Granovetter’s threshold model for collective behavior Granovetter1978 , with dynamics in which the probability of a spin being updated from minus to plus is given by $\mathbb{P}(\uparrow|y)=(1-y)F(y)$, where $y$ denotes the proportion of plus spins and $F(\cdot)$ is the cumulative distribution function of the thresholds’ PDF $f(x)$: $F(x)=\int_{-\infty}^{x}f(\xi)\mathrm{d}\xi\;.$ (1) The probability of a spin being flipped in opposite direction from plus to minus is $\mathbb{P}(\downarrow|y)=y(1-F(y))$. In this case, master equations can be written in terms of the probability function $p(y_{k},t)$ ($y_{k}=k/N$), which provides the probability to find the TM in a state with $k$ spins in a plus state and $N-k$ spins in a minus state at a given moment of time $t$: $\frac{\mathrm{d}p(y_{k},t)}{\mathrm{d}t}=\mathbb{P}(\uparrow|y_{k-1})p(y_{k-1},t)\\\ {}+\mathbb{P}(\downarrow|y_{k+1})p(y_{k+1},t)-\mathbb{P}(\updownarrow|y_{k})p(y_{k},t)\,,\\\ k=0,\ldots,N\,,$ (2) where $\mathbb{P}(\updownarrow|y_{k})=\mathbb{P}(\uparrow|y_{k})+\mathbb{P}(\downarrow|y_{k})$. Letting $N\rightarrow\infty$ and scaling the time as $t\rightarrow Nt$, we can treat the discrete variable $y_{k}$ as continuously changing $y\in[0,1]$ and transform (2) to the Hamilton-Jacobi equation, which is the first order partial differential equation: $\frac{\partial p(y,t)}{\partial t}=-\frac{\partial}{\partial y}[(F(y)-y)p(y,t)]\;.$ (3) During such transformation, the diffusive terms, consisting of second order partial derivatives, vanish due to the large-scale limit $N\gg 1$. If the initial configuration is strictly defined such that $p(y,0)=\delta(y-y_{0})$, where $\delta(\cdot)$ is the Dirac delta, the solution of (3) is given by the following ODE, see p. 53–54 Gardiner2004 : $\dot{y}\equiv\frac{\mathrm{d}y}{\mathrm{d}t}=F(y)-y,\quad y(0)=y_{0}\;.$ (4) The equilibria of this system are all values $y_{*}$ for which $F(y_{*})=y_{*}$. Notice that (4) can also be written in terms of the potential function: $V(x)=-\int^{x}(F(\xi)-\xi)\mathrm{d}\xi$, such that $\frac{\mathrm{d}y}{\mathrm{d}t}=-V^{\prime}(y)$. Thus, the equilibrium points can be also defined by the extrema of $V(y)$. Figure 1: Simulations of the threshold model (TM) on a two-dimensional lattice of size $100^{2}$ with no mixing among individuals, and different neighbourhood sizes. The thresholds are normally distributed with the mean $0.45$ and standard deviation $0.3$. The initial pattern of thresholds and initial states is the same for all simulations shown. Activated individuals are shown in orange (black). The $\infty$-symbol denotes an equilibrium, which is reached in the TM. We now consider a case where each individual’s updates depend on the states in a _finite_ neighborhood. First simulations of the TM on a two-dimensional lattice with 8 nearest neighbors for each individual and with no mixing among them reveal complex patterns, see Fig. 1. This figure presents initial, intermediate and final states of the lattice for four different neighborhood sizes, but with identical initial distributions of states and thresholds. We see that increasing neighborhood size can shift the outcome of the system’s dynamics from a low level of conformity to a very high level. Moreover, the equilibrium distribution preserves some noticeable clustering for small neighborhood sizes. However, in the large-scale ($N\rightarrow\infty$), fast-mixing ($\mu\rightarrow\infty$) limit, the behavior of the TM can still be described analytically by a mean-field model, in which a spin and all its neighbors are chosen _de novo_ at each update event. The probability that a randomly selected individual will choose to adopt is equal to the probability that the activation level of its randomly selected neighborhood exceeds its threshold. In a regular network where each individual has $n$ neighbors, this is given by: $F_{n}(y)=\sum_{k=0}^{n}F\\!\left(\frac{k}{n}\right)C_{n}^{k}y^{k}(1-y)^{n-k}\,,$ (5) where $C_{n}^{k}=\frac{n!}{k!(n-k)!}$ is a binomial coefficient (see Barra2012 ). Then (2)-(4) remain valid for this system once we substitute $F_{n}(y)$ for $F(y)$ in (5), and they give us the dynamics of the TM with finite neighborhood size in the mean-field approximation. (This approach also works for networks of variable degree; if neighborhood sizes are distributed with probability density $\mathcal{P}(n)$, we average over the distribution to get $F_{\mathcal{P}}=\sum_{n=0}^{\infty}\mathcal{P}(n)F_{n}(y)$.) Figure 2: (Color online) The mean-field dynamics of the TM in the phase plane $(y,\mathrm{d}y/\mathrm{d}t)$ for different neighborhood sizes: $n=4$ (magenta (light)), 12 (red (medium)) and 24 (green (dark)). The dashed curve corresponds to the case of infinitely large neighborhood size. The corresponding potential functions $V_{n}(y)$ are shown in the inset. The thresholds’ PDF is Gaussian with the mean $0.6$ and standard deviation $0.225$. The crosses show the results of numerical simulations of the TM on a two-dimensional lattice of the size $100^{2}$ at mixing rate $\mu=4$ and $y(0)=1$ Fig. 2 illustrates the difference between the functions (5) and (1) as well as the difference in the mean-field dynamics of the TM for different neighborhoods. Parameters of the thresholds’ PDF $f$ for Fig. 2 were chosen in such a way that there are two stable equilibria for large neighborhoods, and only one stable equilibrium for small neighborhoods. Different neighborhood sizes can lead to very different outcomes, even when distributions and initial conditions are the same. For example, in simulations starting with everybody adopting the behavior ($y(0)=1$), the TM reaches a high equilibrium (few individuals change), when neighborhood size is large, but a low equilibrium (almost everybody rejects the behavior) when neighborhood size is small. Note that simulations done on a two-dimensional lattice of size $100^{2}$ at mixing rate $\mu=4$ give a good approximation to the large-scale, fast-mixing limit in this case; later we will show that this is not true for smaller mixing rates, though. In case of a Gaussian distribution for the thresholds, the curve $y^{\prime}=F_{n}(y)$ has up to three crossings with the diagonal $y^{\prime}=y$. If there is only one crossing with the diagonal, there exists a globally stable equilibrium $y_{-}\in[0,1]$. If there are three crossings, we have three equilibrium points, which we denote as $y_{-}$, $y_{*}$ and $y_{+}$, such that $y_{-}<y_{*}<y_{+}$. Two of them, $y_{\pm}$, are stable equilibria and one of them, $y_{*}$, is an unstable equilibrium. We can define a potential, analogous to the mean-field case: $V_{n}(y)=\int^{y}(F_{n}(\xi)-\xi)\>\mathrm{d}\xi$. Then $y_{\pm}$ are the minima and $y_{*}$ is the maximum of $V_{n}(y)$, see Fig. 2 (inset). The case of two crossings represents the bifurcation point between these two generic cases. If the mean of the Gaussian distribution is not exactly $0.5$, the potential function $V_{n}(y)$ is asymmetric, with one well deeper than the other. Without loss of generality, we assume that the norm is intrinsically unpopular (i.e., the mean of the threshold distribution $>\\!0.5$), so that the “lower” equilibrium $y_{-}$ corresponds to the deeper well, and the “upper” equilibrium and $y_{+}$ to the shallower well, when it exists. These values refer to the case where $\mu\to\infty$. For clarity, we will sometimes add $\infty$ as a superscript. ## III Intermediate mixing Simulations show that reducing the mixing rate away from the fast-mixing limit has a similar qualitative effect to reducing neighborhood size (as seen in Fig. 2). In the case where the mean-field system has one stable equilibrium, reducing mixing rates does not lead to a qualitative change in the dynamics. In the case where the mean-field system has two stable equilibria, as the mixing rate gets smaller we often find a bifurcation to a single equilibrium; i.e., the equilibrium with the shallower potential well disappears. We consider a two-dimensional lattice, with initial activation level $y(0)$. If we simulate, starting from a value between the two stable equilibria, the system will move to the upper equilibrium with probability $p_{+}$; otherwise it moves to the lower equilibrium. The result depends on the random selection of thresholds, initial states and the order in which sites are updated. Figure 3: (Color online) The probability $p_{+}$ that the TM will approach the upper equilibrium as a function of $\mu$ or scaled $\mu/L$ (the inset). The TM is on a 2d-lattice of size $N=L^{2}$ with the neighborhood $8$. The thresholds’ PDF is Gaussian with the mean $0.55$ and standard deviation $0.225$. Different colors (shades) stand for different initial values $y(0)$, while the symbols stand for different values of $L$ (see the legend in the bottom right corner). In the main figure the points with $y(0)=0.71$ are shown in cyan (light), with $y(0)=0.69$ in blue (dark). In the inset overlapping points in the middle correspond to $y(0)=y_{*}^{\infty}$, the ones above them to $y(0)=0.69$, and the ones below them to $y(0)=0.66$. The bifurcation value $\tilde{\mu}(y(0)=0.69)\approx 1.556$ is indicated. To estimate the probability, we performed $10^{5}$ simulations with different random initial individual states and thresholds, and update order Fig. 3 shows how the probability $p_{+}$ depends on the mixing rate $\mu$, using two different scaling approaches. In either case, as we move away from the fast-mixing case (from right to left on the figure), the system becomes increasingly certain to end in the deeper well, and eventually the shallower well disappears altogether. The main picture of Fig. 3 shows the probability $p_{+}$ vs. $\mu$ for values of $y(0)>y_{*}^{\infty}$. In this case the system stops in the shallow well for large values of $\mu$, and moves to the deeper well for smaller values. This transition becomes steeper as the size of the network increases. The curves for a given starting point intersect where $p_{+}=1/2$. That is to say, for a given value of $\mu$, the value of $y(0)$ that falls “in the middle” of the two wells – so that the system is equally likely to go to either one – does not change with lattice size. We call this value $y_{\times}^{\mu}$, because it is related to the unstable equilibrium $y_{*}^{\mu}$, but not equivalent (as we will see below). The dependence of $y_{\times}^{\mu}$ on $\mu$ has a hyperbolic shape and its minimal value $\bar{\mu}$ is reached at $y_{\times}^{\mu}=1$, which is shown in Fig. 4. Figure 4: The dependence of $y_{\times}^{\mu}$ on $\mu$. The TM is posed on a 2-d lattice of size $200^{2}$ with neighborhood $8$ and Gaussian distribution of thresholds with the mean $0.55$ and standard deviation $0.225$. The extrapolation curve, shown by the dashed line, gives $\bar{\mu}=\mu(y_{\times}^{\mu}=1.0)\approx 0.168$. The inset in Fig. 3 shows the same data, with $p_{+}$ plotted against a _scaled_ version of the mixing rate $\mu/L$ (where $L=N^{1/2}$ is the length of the two-dimensional lattice). A surprising pattern emerges. For $y(0)=y_{*}^{\infty}$, all of the curves approximately align onto a single curve, with $p_{+}\rightarrow 1/2$ for $\mu\rightarrow\infty$, as we expect, since we are approaching the well-mixed case, where $y(0)$ is the unstable equilibrium. For other values of $y(0)$, the curves do not intersect in this scaling: instead, as $N$ gets larger, the system becomes less likely to “switch” to the equilibrium on the other side of $y_{*}^{\infty}$. If we visualize the trajectories in the phase subspace $(y,\mathrm{d}y/\mathrm{d}t)$, we find that all of them approach the same curve $F_{n}^{\mu}$, shown in Fig. 5, presumably because they are collapsing onto a lower-dimensional slow manifold. Thus, the behavior of the TM can be well-approximated by the ODE: ${\mathrm{d}y}/{\mathrm{d}t}=F_{n}^{\mu}(y)-y$, on some time interval $t\in[t_{1},\infty)$, which is similar to (4), where $F_{n}^{\infty}\equiv F_{n}$. The equilibrium points $y_{*}^{\mu}$ can be determined as $F_{n}^{\mu}(y_{*}^{\mu})=y_{*}^{\mu}$ and the effective potential can be introduced by $V_{n}^{\mu}(y)=-\int^{y}(F_{n}^{\mu}(\xi)-\xi)\mathrm{d}\xi$. Thus, we can describe the behavior of the TM qualitatively, by studying the properties of the manifold-projection curve $F_{n}^{\mu}$. Figure 5: (Color online) The projection curve $F_{n}^{\mu}$ on a two- dimensional lattice of size $800^{2}$ with neighborhood $8$ and the Gaussian distribution of thresholds (the mean 0.55 and standard deviation $0.225$ and mixing rate equals $0.278$. The trajectories, shown in red (thin) lines, start from $y(0)=i/10$ ($i=1,\ldots,9$), while the green (solid) curve consists of the trajectories initiated at $y(0)=0$, $y(0)=1$ and $y(0)=y_{\times}^{\mu}=0.76$. Initially, the states and thresholds are distributed randomly among individuals, hence all initial points fall along the curve $F_{n}(y)\equiv F_{n}^{\infty}(y)$ (dashed curve) When $y$ approaches 0 or 1, mixing does not affect the dynamics. Therefore, we can construct at least part of the curve $F_{n}^{\mu}$ (for any value of $\mu$) by simulating trajectories starting from $y(0)=1$ and $y(0)=0$. When there is only one equilibrium in $[0,1]$, this method generates the whole projection curve. When there are two stable equilibria, this method generates only the part “outside” them. Completing the curve requires that we start simulations from one or more intermediate initial points $y(0)\in(0,1)$. In fact, we need only one additional starting point, which is precisely $y_{\times}^{\mu}$, since any trajectory initiated at that point goes through the point $y_{*}^{\mu}$ on the curve $F_{n}^{\mu}$ to the upper or lower equilibrium with equal probability one half. Note that if we take the minimal value $\bar{\mu}$ of the mixing rate, which can defined using Fig. 4, $F_{n}^{\mu}$ will have two fixed points, one of them will be a double root of $F_{n}^{\mu}(y_{*}^{\mu})=y_{*}^{\mu}$, which corresponds to the bifurcation, described above. ### Transition times Figure 6: (Color online) The mean transition time $\langle T_{R}\rangle$, necessary for the TM to evolve from complete activation $y(0)=1.0$ to a given intermediate value $y(T_{R})=y_{*}^{\infty}\approx 0.6752$. The TM is posed on a two-dimensional lattice of size $N=L^{2}$ with neighborhood $8$ and Gaussian distribution of the thresholds with the mean 0.55 and standard deviation 0.225. The inset illustrates the distribution of $T_{R}$ at $\mu=0.1$ for $L=100$ (green (light)), $200$ (magenta (medium)) and $400$ (blue (dark)) For mixing rates $\mu<\bar{\mu}$, the system will always move towards the lower equilibrium $y_{-}^{\mu}$. We therefore explore the “transition time” $T_{R}$ – how long it takes to move from the fully activated state $y(0)=1.0$ to some intermediate activation level, chosen to be near, but to the right of, the lower equilibrium. From simulations, we see that the distribution of transition times becomes narrower for larger $N$, see the inset Fig. 6. Hence, it is important to look how the mean value $\langle T_{R}\rangle$ changes for $N\gg 1$. It turns out that the dependence $\langle T_{R}\rangle$ vs. $\mu$ is concave and has a minimum at some intermediate value $\hat{\mu}$. We see that it becomes arbitrarily large for small mixing rates and exponentially decreases as $\mu$ approaches $\hat{\mu}$. From the other side the value $\langle T_{R}\rangle$ increases as $\mu$ becomes closer to $\bar{\mu}$, see Fig. 6. The minimum in the transition-time curve can be explained in terms of two countervailing effects of increased mixing. When the mixing rate is very slow, any changes in behavior take a long time to spread through the lattice. When the mixing rate is high, for our parameters, exchange between neighborhoods tends to preserve the “upper equilibrium”, leading to an exponentially slow transition on the finite lattice (and no transition at all for the infinite system). Thus, the most rapid transition from the activated state to the lower equilibrium occurs at an intermediate value. ## IV Conclusions Offering an explanation why collective behavior can shift abruptly from avoidance to adoption of an alternative, or _vice versa_ , Granovetter1978 provides an example where a slight change in distribution of individual thresholds leads to completely different outcomes: a system initially at one stable equilibrium switches to another one due to a change of the threshold of one individual. This change can be visualized as a change in the shape of the $F_{n}$-curve, which we will call the “activation curve”. We investigate other factors that can change this curve and lead to similar phenomena, including abrupt changes in outcome when an equilibrium disappears. We model a population on a lattice, with a finite interaction neighborhood, and “mixing” – implemented by exchanging random individuals. To disentangle the effects of neighborhood size and “locality”, we first considered a lattice with finite neighborhoods in the infinite-mixing limit. We showed that the effect of finite neighborhoods is to “flatten” the activation curve, often leading eventually to the elimination of the “weaker” equilibrium, as neighborhood size gets smaller. We then consider the effect of “locality”, by reducing the mixing rate to be of the same order as the update rate. This system is harder to analyze, but we show that it tends to converge towards a manifold, whose projection can be interpreted in a way similar to the activation curve. This interpretation allows us to define an effective potential in the finite mixing case, which can aid in qualitative analysis. We find that the effect of locality on the projection curve is similar to the effect of finite neighborhood size: it flattens the curve and eventually leads to the disappearance of the weaker equilibrium. The flattening due to finite neighborhood size Fig. 2 can be understood in terms of averaging. If each individual evaluates a random, finite subset of the population when updating, the realized activation curve is a weighted average of the original curve. This averaging tends to flatten out curvature: in the limit of considering a single neighbor, the activation curve becomes a straight line. Finite mixing has a similar effect Fig. 5. Individuals’ states will be correlated with those of their neighbors, since they are responding to each other. This increases the variance in neighborhood activation perceived by individuals, for a given value of the mean activation, accentuating the effect of averaging and further smoothing the activation curve. Here we, as others in the past Krapivsky2010 ; Barra2012 , use the mapping between the threshold model and the random field Ising model so that it is possible also to apply tools from statistical physics to the question. Another possibly useful analogy can be made between the TM and a spin gas. We neglect the structure of the network and consider particles stochastically moving in uniform medium, and affected primarily by nearby particles. In this case, the mixing rate can be associated directly with thermodynamic temperature. There is then an analogy between the tendency of all spins to be at the lower equilibrium for small mixing rate in the original system, and low-temperature Bose-Einstein condensation in the spin gas Leggett2001 . This mapping may be worth future study. From sociological point of view, mixing is associated with the rate of information flow in a given society or people mobility. We might imagine “activists” who have high mixing rates, and who are eager to change the prevalent behavior. We have seen that large mixing rates can actually prevent the system from switching to a desirable equilibrium, so that an unpopular social norm persists, while low mixing rates facilitate the abandonment of the social norm. However, very low mixing rates make the transition very slow, so that in many cases the transition will happen fastest at intermediate mixing rates. ## Acknowledgments Authors were supported by J.S. McDonnell Foundation. This work was made particularly by using the facilities of the Shared Hierarchical Academic Research Computing Network (SHARCNET:www.sharcnet.ca) and Compute/Calcul Canada. Authors are grateful to anonymous reviewers for their remarks, A.R.A. is thankful to Gustavo Düring (NYU, USA) and Yevgeni Sh. Mamasakhlisov (Yerevan State University, Armenia) for helpful discussions. ## Appendix A: Ising model framework In our model, each node $i\in\\{1\ldots N\\}$ of the network has a state (or spin) $s_{i}$ and a (constant) threshold $T_{i}$. The classical Ising model translates to the a majority rule (MR) model, where all thresholds are exactly $0.5$: a spin tends to flip to the state where it will be aligned with more than one half its neighboring spins, see Ch. 8 Krapivsky2010 . This system is Hamiltonian with the energy function: $\mathcal{H}=-\frac{1}{2}\sum\nolimits_{i;j\in\langle i\rangle}s_{i}s_{j}$, where $i\in 1\ldots N$, and $\langle i\rangle$ refers to the network neighbors of node $i$. When the thresholds are randomly distributed with a given probability distribution function (PDF), the model becomes equivalent to the spin system under a magnetic field which describes effects of locality between spins, and such that the strength of nearest interactions depends on the connectivity of the network. In this case, the system also obeys Hamiltonian dynamics and its energy function has the form $\mathcal{H}=-\sum\limits_{i;j\in\langle i\rangle}\frac{s_{i}s_{j}}{2n_{i}}+\sum_{i}(2T_{i}-1)s_{i}\;.$ where $n_{i}$ is the number of connections for a spin $s_{i}$ and $T_{i}$ is a given threshold of it. Thus, the induced magnetic field is $h_{i}=2T_{i}-1$. To simulate the TM dynamics, the following underlying update rule is posed for each update event $s_{i}\mapsto\mathop{\rm sign}\nolimits\left(-\frac{\partial\mathcal{H}}{\partial s_{i}}\right)=\mathop{\rm sign}\nolimits\\!\left(\frac{1}{n_{i}}\sum\limits_{j\in\langle i\rangle}s_{j}-h_{i}\right)\,,$ (6) while the thermodynamic temperature, determining the rate of random flips of spins, is set to zero. Hence, we use only the first part of the Metropolis algorithm Glauber1963 that consists only of (6) in order to simulate the dynamics of the TM. The second part when the spin might be flipped even if it was not updated due to (6) is omitted. Note that (6) indeed allows a sociological interpretation of the TM: if the proportion of plus spins (individuals adopting the social norm) in the neighborhood of a spin $s_{i}$ is written as $y_{i}^{\circ}=\frac{1}{n_{i}}\sum\nolimits_{j\in\langle i\rangle}\frac{1+s_{j}}{2}$, such that $n_{i}$ is the connectivity of a spin $s_{i}$, then (6) transforms to the following form: $s_{i}\mapsto\mathop{\rm sign}\nolimits(y_{i}^{\circ}-T_{i})$. In a particular case of the MR, it translates to the simplest form: $s_{i}\mapsto\mathop{\rm sign}\nolimits\sum\nolimits_{j\in\langle i\rangle}s_{j}=\mathop{\rm sign}\nolimits(y_{i}^{\circ}-1/2)$. ## Appendix B: Technical details of simulations In our simulations, individuals’ initial states and thresholds are independently identically distributed with a given initial activation level $y(0)$ and PDF of thresholds. After that, we initialize the simulation process, using the Metropolis algorithm. 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arxiv-papers
2013-04-18T21:40:41
2024-09-04T02:49:44.591256
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Andrei R. Akhmetzhanov, Lee Worden, Jonathan Dushoff", "submitter": "Andrei R. Akhmetzhanov", "url": "https://arxiv.org/abs/1304.5260" }
1304.5287
∎ 11institutetext: Yang Liu 22institutetext: Department of Mathematics, Zhejiang Normal University, Jinhua 321004, China Fax: +86-57982298897 22email: [email protected]; [email protected] 33institutetext: Zhihua Chen 44institutetext: Department of Mathematics, Tongji University, Shanghai 200092, China 44email: [email protected] 55institutetext: Yifei Pan 66institutetext: Department of Mathematical Sciences, Indiana University-Purdue University Fort Wayne, Fort Wayne, Indiana 46805, USA 66email: [email protected] # A variant of Hörmander’s $L^{2}$ existence theorem for Dirac operator in Clifford analysis Yang Liu Zhihua Chen Yifei Pan (Received: date / Accepted: date) ###### Abstract In this paper, we give the Hörmander’s $L^{2}$ theorem for Dirac operator over an open subset $\Omega\in\mathbb{R}^{n+1}$ with Clifford algebra. Some sufficient condition on the existence of the weak solutions for Dirac operator has been found in the sense of Clifford analysis. In particular, if $\Omega$ is bounded, then we prove that for any $f$ in $L^{2}$ space with value in Clifford algebra, there exists a weak solution of Dirac operator such that $\overline{D}u=f$ with $u$ in the $L^{2}$ space as well. The method is based on Hörmander’s $L^{2}$ existence theorem in complex analysis and the $L^{2}$ weighted space is utilised. ###### Keywords: Hörmander’s $L^{2}$ theoremClifford analysis weak solutionDirac operator ###### MSC: 32W50 15A66 ## 1 Introduction The development of function theories on Clifford algebras has proved a useful setting for generalizing many aspects of one variable complex function theory to higher dimensions. The study of these function theories is referred to as Clifford analysis Brackx et al (1982); Huang et al (2006); Gong et al (2009); Ryan (2000), which is closely related to a number of studies made in mathematical physics, and many applications in this area have been found in recent years. In Ryan (1995), Ryan considered solutions of the polynomial Dirac operator, which afforded an integral representation. Furthermore, the author gave a Pompeiu representation for $C^{1}$-functions in a Lipschitz bounded domain. In Ryan (1990), the author presented a classification of linear, conformally invariant, Clifford-algebra-valued differential operators over $\mathbb{C}^{n}$, which comprised the Dirac operator and its iterates. In Qian and Ryan (1996), Qian and Ryan used Vahlen matrices to study the conformal covariance of various types of Hardy spaces over hypersurfaces in $\mathbb{R}^{n}$. In De Ridder et al (2012), the discrete Fueter polynomials was introduced, which formed a basis of the space of discrete spherical monogenics. Moreover, the explicit construction for this discrete Fueter basis, in arbitrary dimension $m$ and for arbitrary homogeneity degree $k$ was presented as well. In Hörmander (1965), the famous Hörmander’s $L^{2}$ existence and approximation theorems was given for the $\bar{\partial}$ operator in pseudo- convex domains in $\mathbb{C}^{n}$. When $n=1$, the existence theorem of complex variable can be deduced. The aim of this paper is to establish a Hörmander’s $L^{2}$ theorem in $\mathbb{R}^{n+1}$ with Clifford analysis, and present sufficient condition on the existence of the weak solutions for Dirac operator in the sense of Clifford algebra. Let $\mathcal{A}$ be a real Clifford algebra over an (n+1)-dimensional real vector space $\mathbb{R}^{n+1}$ and the corresponding norm on $\mathcal{A}$ is given by $|\lambda|_{0}=\sqrt{(\lambda,\lambda)_{0}}$ (see subsection 2.1). Let $\Omega$ be an open subset of $\mathbb{R}^{n+1}$, $L^{2}(\Omega,\mathcal{A},\varphi)$ be a right Hilbert $\mathcal{A}$-module for a given function $\varphi\in C^{2}(\Omega,\mathbb{R})$ with the norm given by Definition 2.9. (see subsection 2.3). $\overline{D}$ denotes the Dirac differential operator and the dual operator $\overline{D}^{*}_{\varphi}$ of $\overline{D}$ is given by (4). For $x=(x_{0},x_{1},...,x_{n})\in\mathbb{R}^{n+1}$, $\Delta=\sum_{i=0}^{n}\frac{\partial^{2}}{\partial x_{i}^{2}}$. Then we can obtain our main results as follows. ###### Theorem 1.1 Given $f\in L^{2}(\Omega,\mathcal{A},\varphi)$, there exists $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\begin{split}\overline{D}u=f\end{split}$ (1) with $\begin{split}\|u\|^{2}=\int_{\Omega}|u|^{2}_{0}e^{-\varphi}dx\leq 2^{2n}c\end{split}$ (2) if $\begin{split}|(f,\alpha)_{\varphi}|^{2}_{0}\leq c\|\overline{D}^{*}_{\varphi}\alpha\|^{2}=c\int_{\Omega}|\overline{D}^{*}_{\varphi}\alpha|^{2}_{0}e^{-\varphi}dx,~{}\forall\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A}).\end{split}$ (3) Conversely, if there exists $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that (1) is satisfied with $\begin{split}\|u\|^{2}\leq c\end{split}$ Then we can get the inequality (3) for norm estimation. The factor $2^{2n}$ in (2) comes from the definition of the norm in Clifford analysis. If $n=1$, then the factor would disappear which gives a necessary and sufficient condition in the theorem. From the above theorem, we give the following sufficient condition on the existence of weak solutions for Dirac operator. ###### Theorem 1.2 Given $\varphi\in C^{2}(\Omega,\mathbb{R})$ and $n>1$; $\Delta\varphi\geq 0$, and $\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}=0,~{}i\neq j,~{}1\leq i,j\leq n$ and $\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\leq 0,~{}1\leq i\leq n$. Then for all $f\in L^{2}(\Omega,\mathcal{A},\varphi)$ with $\int_{\Omega}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx=c<\infty$, there exists a $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\overline{D}u=f$ with $\|u\|^{2}=\int_{\Omega}|u|^{2}_{0}e^{-\varphi}dx\leq 2^{2n}\int_{\Omega}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx.$ ###### Remark 1.3 Assuming $x=(x_{0},x_{1},...,x_{n})\in\mathbb{R}^{n+1}$, it is easy to see that $\varphi(x)=x_{0}^{2}$ satisfies the conditions in Theorem 1.2. Another simple example would be $\varphi(x)=(n+1)x_{0}^{2}-\sum_{i=1}^{n}x_{i}^{2}.$ It is obvious that $\Delta\varphi(x)=2$, $\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}=-2$, and $\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}=0,~{}i\neq j,~{}1\leq i,j\leq n$. ###### Corollary 1.4 Given $\varphi\in C^{2}(\Omega,\mathbb{R}),$ and $\varphi(x)=\varphi(x_{0})$ with $\varphi^{\prime\prime}(x_{0})\geq 0$. Then for all $f\in L^{2}(\Omega,\mathcal{A},\varphi)$ with $\int_{\Omega}\frac{|f|^{2}_{0}}{\varphi^{\prime\prime}}e^{-\varphi}dx=c<\infty$, there exists a $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\overline{D}u=f$ with $\|u\|^{2}=\int_{\Omega}|u|^{2}_{0}e^{-\varphi}dx\leq 2^{2n}\int_{\Omega}\frac{|f|^{2}_{0}}{\varphi^{\prime\prime}}e^{-\varphi}dx.$ It is noticed that there is nothing to do with the boundary conditions of $\Omega$ in the above results. This phenomenon is totally different with the famous Hörmander’s $L^{2}$ existence theorems of several complex variables in Hörmander (1965). Then we can also have the following theorem on global solutions. ###### Theorem 1.5 Given $\varphi\in C^{2}(\mathbb{R}^{n+1},\mathbb{R})$ with all derivative conditions in Theorem 1.1 satisfied. Then for all $f\in L^{2}(\mathbb{R}^{n+1},\mathcal{A},\varphi)$ with $\int_{\mathbb{R}^{n+1}}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx=c<\infty$, there exists a $u\in L^{2}(\mathbb{R}^{n+1},\mathcal{A},\varphi)$ satisfying $\overline{D}u=f$ with $\|u\|^{2}=\int_{\mathbb{R}^{n+1}}|u|^{2}_{0}e^{-\varphi}dx\leq 2^{2n}\int_{\mathbb{R}^{n+1}}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx.$ On the other hand, if the boundary of $\Omega$ is concerned, we consider a special kind of domain ${\Omega}_{0}=\\{x\in\mathbb{R}^{n+1}:a\leq x_{0}\leq b\\}$ for any $a,~{}b\in\mathbb{R}$ with $a<b$, then we can get the following theorem within $L^{2}$ space instead of $L^{2}$ weighted space. ###### Theorem 1.6 Let $f\in L^{2}({\Omega_{0}},\mathcal{A})$. Then there exists a $u\in L^{2}({\Omega_{0}},\mathcal{A})$ such that $\overline{D}u=f$ with $\int_{\Omega_{0}}|u|^{2}_{0}dx\leq 2^{2n}c(a,b)\int_{\Omega_{0}}{|f|^{2}_{0}}dx$ and $c(a,b)$ is a factor depending on $a,~{}b$. ###### Proof Let $\varphi(x)=x_{0}^{2}$. It can be obtained that $L^{2}({\Omega_{0}},\mathcal{A})=L^{2}({\Omega_{0}},\mathcal{A},\varphi)$ for the boundary of $x_{0}$. Then the theorem is proved with Theorem 1.2. ###### Remark 1.7 In particular, any bounded domain $\Omega$ in $\mathbb{R}^{n+1}$ can be regarded as one type of $\Omega_{0}$. Therefore, it comes from Theorem 1.6 that for any $f\in L^{2}(\Omega,\mathcal{A})$, we can find a weak solution of Dirac operator $\overline{D}u=f$ with $u\in L^{2}(\Omega,\mathcal{A})$. ## 2 Preliminaries To make the paper self-contained, some basic notations and results used in this paper are included. ### 2.1 The Clifford algebra $\mathcal{A}$ Let $\mathcal{A}$ be a real Clifford algebra over an (n+1)-dimensional real vector space $\mathbb{R}^{n+1}$ with orthogonal basis $e:=\\{e_{0},e_{1},...,e_{n}\\}$, where $e_{0}=1$ is a unit element in $\mathbb{R}^{n+1}$. Furthermore, $\left\\{\begin{aligned} e_{i}e_{j}+e_{j}e_{i}&=0,~{}i\neq j\\\ e_{i}^{2}&=-1,~{}i=1,...,n.\end{aligned}\right.$ Then $\mathcal{A}$ has its basis $\\{e_{A}=e_{h_{1}\cdots h_{r}}=e_{h_{1}}\cdots e_{h_{r}}:1\leq h_{1}<...<h_{r}\leq n,1\leq r\leq n\\}.$ If $i\in\\{h_{1},...,h_{r}\\}$, we denote $i\in A$ and if $i\not\in\\{h_{1},...,h_{r}\\}$, we denote $i\not\in A$. $A-{i}$ means $\\{h_{1},...,h_{r}\\}\setminus\\{i\\}$ and $A+{i}$ means $\\{h_{1},...,h_{r}\\}\cup\\{i\\}$. So the real Clifford algebra is composed of elements having the type $a=\sum\limits_{A}x_{A}e_{A}$, in which $x_{A}\in\mathbb{R}$ are real numbers. For $a\in\mathcal{A}$, we give the inversion in the Clifford algebra as follows: $a^{*}=\sum\limits_{A}x_{A}e_{A}^{*}$ where $e_{A}^{*}=(-1)^{|A|}e_{A}$ and $|A|=n(A)$ is the $r\in\mathbb{Z}^{+}$ as $e_{A}=e_{h_{1}\cdots h_{r}}$. When $A=\emptyset$, $e_{A}=e_{0}$, $|A|=0$. Next, we define the reversion in the Clifford algebra, which is given by $a^{\dagger}=\sum\limits_{A}x_{A}e_{A}^{\dagger}$ where $e_{A}^{\dagger}=(-1)^{(|A|-1)|A|/2}e_{A}.$ Now we present the involution which is a combination of the inversion and the reversion introduced above. $\bar{a}=\sum\limits_{A}x_{A}\bar{e}_{A}$ where $\bar{e}_{A}=e_{A}^{*{\dagger}}=(-1)^{(|A|+1)|A|/2}e_{A}.$ From the definition, one can easily deduce that $e_{A}\bar{e}_{A}=\bar{e}_{A}e_{A}=1.$ Furthermore, we have $\overline{\lambda\mu}=\bar{\mu}\bar{\lambda},~{}~{}\forall\lambda,\mu\in\mathcal{A}.$ Let $a=\sum\limits_{A}x_{A}e_{A}$ be a Clifford number. The coefficient $x_{A}$ of the $e_{A}$-component will also be denoted by $[a]_{A}$. In particular the coefficient $x_{0}$ of the $e_{0}$-component will be denoted by $[a]_{0}$, which is called the scalar part of the Clifford number $a$. An inner product on $\mathcal{A}$ is defined by putting for any $\lambda,\mu\in\mathcal{A}$, $(\lambda,\mu)_{0}:=2^{n}[\lambda\bar{\mu}]_{0}=2^{n}\sum\limits_{A}\lambda_{A}\mu_{A}$. The corresponding norm on $\mathcal{A}$ reads $|\lambda|_{0}=\sqrt{(\lambda,\lambda)_{0}}$. We define a real functional on $\mathcal{A}$ that $\tau_{e_{A}}:\mathcal{A}\rightarrow\mathbb{R}$ $\langle\tau_{e_{A}},\mu\rangle=2^{n}(-1)^{(|A|+1)|A|/2}\mu_{A}.$ In the special case where $A=\emptyset$ we have $\langle\tau_{e_{0}},\mu\rangle=2^{n}\mu_{0}.$ Let $\Omega$ be an open subset of $\mathbb{R}^{n+1}$. Then functions $f$ defined in $\Omega$ and with values in $\mathcal{A}$ are considered. They are of the form $f(x)=\sum_{A}f_{A}(x)e_{A}$ where $f_{A}(x)$ are functions with real value. Let $\overline{D}$ denotes the Dirac differential operator $\overline{D}=\sum_{i=0}^{n}e_{i}\partial_{x_{i}},$ its action on functions from the left and from the right being governed by the rules $\overline{D}f=\sum_{i,A}e_{i}e_{A}\partial_{x_{i}}f_{A}~{}\mbox{and}~{}f\overline{D}=\sum_{i,A}e_{A}e_{i}\partial_{x_{i}}f_{A}.$ $f$ is called left-monogenic if $\overline{D}f=0$ and it is called right- monogenic if $f\overline{D}=0$. The conjugate operator is given by $D=\sum_{i=0}^{n}\bar{e}_{i}\partial_{x_{i}}.$ It can be found that $\overline{D}D=D\overline{D}=\Delta$ where $\Delta$ denotes the classical Laplacian in $\mathbb{R}^{n+1}$. When $n=1$, one can think of $x_{0}$ as the real part and of $x_{1}$ as the imaginary part of the variable and to identify $e_{1}$ with $i$. the operator $\overline{D}$ then take the form $\overline{D}=\partial_{x_{0}}+i\partial_{x_{1}}$, which is similar with the operator $\bar{\partial}$ in complex analysis. ### 2.2 Modules over Clifford algebras This subsection is to give some general information concerning a class of topological modules over Clifford algebras. In the sequel definitions and properties will be stated for left $\mathcal{A}$-module and their duals, the passage to the case of right $\mathcal{A}$-module being straight-forward. ###### Definition 2.1 (unitary left $\mathcal{A}$-module) Let $X$ be a unitary left $\mathcal{A}$-module, i.e. $X$ is abelian group and a law $(\lambda,f)\rightarrow\lambda f:\mathcal{A}\times X\rightarrow X$ is defined such that $\forall\lambda,\mu\in\mathcal{A}$, and $f,~{}g\in X$ 1. (1) $(\lambda+\mu)f=\lambda f+\mu f$, 2. (2) $\lambda\mu f=\lambda(\mu f)$, 3. (3) $\lambda(f+g)=\lambda f+\lambda g$, 4. (4) $e_{0}f=f$. Moreover, when speaking of a submodule $E$ of the unitary left $\mathcal{A}$-module $X$, we mean that $E$ is a non empty subset of $X$ which becomes a unitary left $\mathcal{A}$-module too when restricting the module operations of $X$ to $E$. ###### Definition 2.2 (left $\mathcal{A}$-linear operator) If $X,Y$ are unitary left $\mathcal{A}$-modules, then $T:X\rightarrow Y$ is said to be a left $\mathcal{A}$-linear operator, if $\forall~{}f,~{}g\in X$ and $\lambda\in\mathcal{A}$ $T(\lambda f+g)=\lambda T(f)+T(g).$ The set of all $``T"$ is denoted by $L(X,Y)$. If $Y=\mathcal{A},~{}L(X,\mathcal{A})$ is called the algebraic dual of $X$ and denoted by $X^{*alg}$. Its elements are called left $\mathcal{A}$-linear functionals on $X$ and for any $T\in X^{*alg}$ and $f\in X$, we denote by $\langle T,f\rangle$ the value of $T$ at $f$. ###### Definition 2.3 (bounded functional) An element $T\in X^{*alg}$ is called bounded, if there exist a semi-norm $p$ on $X$ and $c>0$ such that for all $f\in X$ $|\langle T,f\rangle|_{0}\leq c\cdot p(f).$ ###### Theorem 2.4 (Hahn-Banach type theorem)Brackx et al (1982) Let $X$ be a unitary left $\mathcal{A}$-module with semi-norm $p$, $Y$ be a submodule of $X$, and $T$ be a left $\mathcal{A}$-linear functional on $Y$ such that for some $c>0,$ $|\langle T,g\rangle|_{0}\leq c\cdot p(g),~{}~{}\forall g\in Y$ Then there exists a left $\mathcal{A}$-linear functional $\widetilde{T}$ on $X$ such that 1. (1) $\widetilde{T}\mid_{Y}=T$, 2. (2) for some $c^{*}>0$, $|\langle\widetilde{T},f\rangle|_{0}\leq c^{*}\cdot p(f)$, $\forall f\in X$. ###### Definition 2.5 (inner product on a unitary right $\mathcal{A}$-module) Let $H$ be a unitary right $\mathcal{A}$-module, then a function $(~{},~{}):~{}H\times H\rightarrow\mathcal{A}$ is said to be a inner product on $H$ if for all $f,g,h\in H$ and $\lambda\in\mathcal{A}$, 1. (1) $(f,g+h)=(f,g)+(f,h)$, 2. (2) $(f,g\lambda)=(f,g)\lambda$, 3. (3) $(f,g)=\overline{(g,f)}$, 4. (4) $\langle\tau_{e_{0}},(f,f)\rangle\geq 0$ and $\langle\tau_{e_{0}},(f,f)\rangle=0~{}\mbox{if and only if}~{}f=0$, 5. (5) $\langle\tau_{e_{0}},(f\lambda,f\lambda)\rangle\leq|\lambda|^{2}_{0}\langle\tau_{e_{0}},(f,f)\rangle$. From the definition on inner product, putting for each $f\in H$ $\|f\|^{2}=\langle\tau_{e_{0}},(f,f)\rangle,$ then it can be obtained that for any $f,g\in H,$ $\begin{split}|\langle\tau_{e_{0}},~{}(f,g)\rangle|\leq\|f\|\|g\|,\|f+g\|\leq\|f\|+\|g\|.\end{split}$ Hence, $\|\cdot\|$ is a proper norm on $H$ turning it into a normed right $A$-module. Moreover, we have the following Cauchy-Schwarz inequality. ###### Proposition 2.6 Brackx et al (1982) For all $f,g\in H,$ $|(f,g)|_{0}\leq\|f\|\|g\|.$ ###### Definition 2.7 (right Hilbert $\mathcal{A}$-module) Let $H$ be a unitary right $\mathcal{A}$-module provided with an inner product $(~{},~{})$. Then is it called a right Hilbert $\mathcal{A}$-module if it is complete for the norm topology derived from the inner product. ###### Theorem 2.8 (Riesz representation theorem)Brackx et al (1982) Let $H$ be a right Hilbert $\mathcal{A}$-modules and $T\in H^{*alg}$. Then $T$ is bounded if and only if there exists a (unique) element $g\in H$ such that for all $f\in H$, $T(f):=\langle T,f\rangle=(g,f).$ ### 2.3 Hilbert space of square integrable functions Now we extend the standard Hilbert space of square integrable functions to Clifford algebra. First, we denote $L^{1}(\Omega,\mu)$ and $L^{2}(\Omega,\mu)$ be the sets of all integrable or square integrable functions defined on the domain $\Omega\in\mathbb{R}^{n+1}$ with respect to the measure $\mu$. Then $L^{1}(\Omega,\mathcal{A},\mu)$ and $L^{2}(\Omega,\mathcal{A},\mu)$ are defined as the sets of functions $f:\Omega\rightarrow\mathcal{A}$ which are integrable or square integrable with respect to $\mu$, i.e., if $f=\sum\limits_{A}f_{A}e_{A}$, then for each $A$, $f_{A}\in L^{1}(\Omega,\mu)$ and $f^{2}_{A}\in L^{1}(\Omega,\mu)$, respectively. Then one may easily check that $L^{1}(\Omega,\mathcal{A},\mu)$ and $L^{2}(\Omega,\mathcal{A},\mu)$ are unitary bi-$\mathcal{A}$-module, i.e., unitary left-$\mathcal{A}$-module and unitary right-$\mathcal{A}$-module. Furthermore, for any $f,g\in L^{2}(\Omega,\mathcal{A},\mu)$, $\bar{f}\in L^{2}(\Omega,\mathcal{A},\mu)$ while $\bar{f}g\in L^{1}(\Omega,\mathcal{A},\mu)$, where $\bar{f}(x)=\overline{f(x)}$ and $(\bar{f}g)(x)=\bar{f}(x)g(x),~{}x\in\Omega$. Consider as a right $\mathcal{A}$-module, define for $f,g\in L^{2}(\Omega,\mathcal{A},\mu)$ that $(f,g)=\int_{\Omega}\bar{f}(x)g(x)d\mu.$ Furthermore for any real linear functional $T$ on $\mathcal{A}$ $\langle T,(f,g)\rangle=\langle T,\int_{\Omega}\bar{f}(x)g(x)d\mu\rangle=\int_{\Omega}\langle T,\bar{f}(x)g(x)\rangle d\mu.$ Consequently, taking $T=\tau_{e_{0}}$ we find that $\begin{split}\langle\tau_{e_{0}},(f,f)\rangle&=\langle\tau_{e_{0}},\int_{\Omega}\bar{f}(x)f(x)d\mu\rangle=\int_{\Omega}\langle\tau_{e_{0}},\bar{f}(x)f(x)\rangle d\mu\\\ &=\int_{\Omega}|f(x)|^{2}_{0}d\mu.\end{split}$ Hence, for all $f\in L^{2}(\Omega,\mathcal{A},\mu)$, $\langle\tau_{e_{0}},(f,f)\rangle\geq 0$ and $\langle\tau_{e_{0}},(f,f)\rangle=0$ if and only if $f=0$ a.e. in $\Omega$. Then it is easy to see that under the inner product defined, all conditions for $L^{2}(\Omega,\mathcal{A},\mu)$ to be a unitary right inner product $\mathcal{A}$-module are satisfied. Since $L^{2}(\Omega,\mathcal{A},\mu)=\prod_{A}L^{2}(\Omega,\mu)$, we have that $L^{2}(\Omega,\mathcal{A},\mu)$ is complete; in other words $L^{2}(\Omega,\mathcal{A},\mu)$ is a right Hilbert $\mathcal{A}$-module, with the norm $\|f\|^{2}=\langle\tau_{e_{0}},(f,f)\rangle=\int_{\Omega}|f(x)|^{2}_{0}d\mu$ for $f\in L^{2}(\Omega,\mathcal{A},\mu)$. ###### Definition 2.9 (weighted $L^{2}$ space) Similar with $L^{2}(\Omega,\mathcal{A},\mu)$, we can define the weighted $L^{2}(H,\mathcal{A},\varphi)$ for a given function $\varphi\in C^{2}(\Omega,\mathbb{R})$. First, let $L^{2}(\Omega,\varphi)=\big{\\{}f|f:\Omega\rightarrow\mathbb{R},~{}\int_{\Omega}|f(x)|^{2}e^{-\varphi}~{}dx<+\infty\big{\\}}.$ Then we denote $L^{2}(H,\mathcal{A},\varphi)=\\{f|f:\Omega\rightarrow\mathcal{A},~{}f=\sum\limits_{A}f_{A}e_{A},~{}f_{A}\in L^{2}(\Omega,\varphi)\\}.$ Moreover, for all $f,g\in L^{2}(H,\mathcal{A},\varphi)$, we define $(f,g)_{\varphi}=\int_{\Omega}\bar{f}(x)g(x)e^{-\varphi}dx.$ Then it is also easy to see $L^{2}(\Omega,\mathcal{A},\varphi)$ is a right Hilbert $\mathcal{A}$-module, with the norm $\begin{split}\|f\|^{2}=\langle\tau_{e_{0}},(f,f)_{\varphi}\rangle=\int_{\Omega}|f(x)|^{2}_{0}e^{-\varphi}dx\end{split}$ for $f\in L^{2}(\Omega,\mathcal{A},\varphi)$. ### 2.4 Cauchy’s integral formula Let $M$ be an (n+1)-dimensional differentiable and oriented manifold contained in some open subset $\Sigma$ of $\mathbb{R}^{n+1}$. By means of the n-forms $d\hat{x}_{i}=dx_{0}\wedge\cdots\wedge dx_{i-1}\wedge dx_{x_{i+1}}\wedge\cdots\wedge dx_{n},~{}i=0,1,...,n,$ an $\mathcal{A}$-valued n-form is introduced by putting $d\sigma=\sum_{i=0}^{n}(-1)^{i}e_{i}d\hat{x}_{i},$ similarly, denote $d\bar{\sigma}=\sum_{i=0}^{n}(-1)^{i}\bar{e}_{i}d\hat{x}_{i}.$ Furthermore the volume-element $dx=dx_{0}\wedge\cdots\wedge dx_{n}$ is used. ###### Proposition 2.10 (Stokes-Green Theorem)Brackx et al (1982) If $f,g\in C^{1}(\Sigma,\mathcal{A})$ then for any (n+1)-chain $\Omega$ on $M\subset\Sigma$, $\int_{\partial\Omega}fd\sigma g=\int_{\Omega}(f\overline{D})gdx+\int_{\Omega}f(\overline{D}g)dx,$ $\int_{\partial\Omega}fd\bar{\sigma}g=\int_{\Omega}(fD)gdx+\int_{\Omega}f(Dg)dx.$ ###### Remark 2.11 Denote $C^{\infty}_{0}(\Omega,\mathbb{R})$ as the set of all smooth real- valued functions with compact support in $\Omega$ and $C^{\infty}_{0}(\Omega,\mathcal{A}):=\\{f|f:\Omega\rightarrow\mathcal{A},~{}f=\sum\limits_{A}f_{A}e_{A},~{}f_{A}\in C^{\infty}_{0}(\Omega,\mathbb{R})\\}.$ If $f$ or $g\in C^{\infty}_{0}(\Omega,\mathcal{A})$, then we have from the Stokes-Green theorem that $\int_{\Omega}(f\overline{D})gdx=-\int_{\Omega}f(\overline{D}g)dx,$ $\int_{\Omega}(fD)gdx=-\int_{\Omega}f(Dg)dx.$ ###### Lemma 2.12 If $u(x)\in C^{1}(\Omega,\mathcal{A})$, then $\overline{\overline{D}u}=\bar{u}D$. ###### Proof Let $u(x)=\sum_{A}e_{A}u_{A}$. Then $\begin{split}\overline{\overline{D}u}=\sum_{i,A}\overline{e_{i}e_{A}}\partial_{x_{i}}u_{A}=\sum_{i,A}\bar{e}_{A}\bar{e}_{i}\partial_{x_{i}}u_{A}=\bar{u}D.\end{split}$ ###### Lemma 2.13 Huang et al (2006) If $u(x)=\sum_{A}e_{A}u_{A}$, $v(x)=\sum_{i=0}^{n}e_{i}v_{i}$, then $\overline{D}(uv)=(\overline{D}u)v+u(\overline{D}v)+\sum\limits^{n}_{j=1}(e_{j}u-ue_{j})\partial_{x_{j}}v.$ ### 2.5 Weak solutions Let $L_{loc}^{1}(\Omega,\mathcal{A}):=\\{f|f:\Omega\rightarrow\mathcal{A},~{}f=\sum\limits_{A}f_{A}e_{A},~{}f_{A}\in L_{loc}^{1}(\Omega,\mathbb{R})\\}$. Then we define the weak solution in the sense of Clifford algebra as follows. ###### Definition 2.14 ($\overline{D}$ solution in weak sense) If $f\in L_{loc}^{1}(\Omega,\mathcal{A})$, $u:\Omega\rightarrow\mathcal{A}$ is a weak solution of $\overline{D}u=f~{}(\mbox{or}~{}{D}u=f)$ if for any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$, $\int_{\Omega}\alpha fdx=-\int_{\Omega}(\alpha\overline{D})udx~{}(\mbox{or}~{}\int_{\Omega}\alpha fdx=-\int_{\Omega}(\alpha{D})udx).$ It should be noticed that if $u$ is a weak solution of Dirac equation $\overline{D}u=0$, in addition, if $u$ is smooth in $\Omega$, then it is left- monogenic. Now it is natural to give the definition of $\Delta$ solution in the weak sense. ###### Definition 2.15 ($\Delta$ solution in weak sense) If $f\in L_{loc}^{1}(\Omega,\mathcal{A})$, $u:\Omega\rightarrow\mathcal{A}$ is a weak solution of $\Delta u=f$ if for any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$, $\int_{\Omega}\alpha fdx=\int_{\Omega}({\Delta}\alpha)udx.$ ###### Theorem 2.16 If $f\in L_{loc}^{1}(\Omega,\mathcal{A})$, and $\overline{D}f=0$ in weak sense, then $f$ is left-monogenic at any point of $\Omega$. ###### Proof : Since $\overline{D}f=0$ in weak sense, then $\Delta f=0$ in weak sense. By Weyl’s lemma, $f$ is smooth in $\Omega$ and has $\Delta f=0$ in classical sense, then of course $f$ is left-monogenic at any point of $\Omega$. ###### Remark 2.17 This is useful to deal with uniqueness of weak solutions. for example, if $u,~{}v\in L_{loc}^{1}(\Omega,\mathcal{A})$ are two weak solutions of $\overline{D}u=f$, then $u=v+w$ with any $w$ left-monogenic. ###### Remark 2.18 An important example of a left monogenic function is the generalized Cauchy kernel $G(x)=\frac{1}{\omega_{n+1}}\frac{\overline{x}}{|x|^{n+1}},$ where $\omega_{n+1}$ denotes the surface area of the unit ball in $\mathbb{R}^{n+1}$. This function obviously belongs to $L_{loc}^{1}(\Omega,\mathcal{A})$ and is a fundamental solution of the Dirac equation in the classical sense at any point of $\mathbb{R}^{n+1}$ except 0. However, it is not a weak solution of the Dirac operator. In fact, if it satisfies $\overline{D}f=0$ in the weak sense, then from Theorem 2.16, it must be left-monogenic in the any point of $\Omega$ which could include $0$. Therefore, we get a contradiction. For $f\in L^{2}(\Omega,\mathcal{A},\varphi)$, $u:\Omega\rightarrow\mathcal{A}$. If $\overline{D}u=f$, based on the Stokes- Green theorem, we can define the dual operator $\overline{D}^{*}_{\varphi}$ of $\overline{D}$ under the inner product of $L^{2}(\Omega,\mathcal{A},\varphi)$. For any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$, $\begin{split}(\alpha,f)_{\varphi}=&~{}\int_{\Omega}\bar{\alpha}fe^{-\varphi}dx=\int_{\Omega}\bar{\alpha}e^{-\varphi}fdx\\\ =&~{}\int_{\Omega}(\bar{\alpha}e^{-\varphi})(\overline{D}u)dx\\\ =&~{}-\int_{\Omega}\big{(}(\bar{\alpha}e^{-\varphi})\overline{D}\big{)}udx\\\ =&~{}-\int_{\Omega}\big{(}(\bar{\alpha}e^{-\varphi})\overline{D}\big{)}e^{\varphi}ue^{-\varphi}dx\\\ =&~{}\int_{\Omega}\overline{-e^{\varphi}D(\alpha e^{-\varphi})}ue^{-\varphi}dx\\\ =&~{}(-e^{-\varphi}D(\alpha e^{-\varphi}),u)_{\varphi}\triangleq(\overline{D}^{*}_{\varphi}\alpha,u)_{\varphi},\end{split}$ (4) where $\overline{D}^{*}_{\varphi}\alpha=-e^{\varphi}D(\alpha e^{-\varphi})=\alpha(D\varphi)-D\alpha$, i.e. $(\alpha,\overline{D}u)_{\varphi}=(\overline{D}^{*}_{\varphi}\alpha,u)_{\varphi}.$ In the same way, we also have $(\overline{D}u,\alpha)_{\varphi}=(u,\overline{D}^{*}_{\varphi}\alpha)_{\varphi}.$ ## 3 The proof of Theorem 1.1 Now we are in the position of proving Theorem 1.1. ###### Proof ($Sufficiency$) From the definition of dual operator and Cauchy-Schwarz inequality in Proposition 2.6, we have $\begin{split}|(f,\alpha)_{\varphi}|^{2}_{0}=&|(\overline{D}u,\alpha)_{\varphi}|^{2}_{0}=|(u,\overline{D}^{*}_{\varphi}\alpha)_{\varphi}|^{2}_{0}\\\ \leq&~{}\|u\|^{2}\cdot\|\overline{D}^{*}_{\varphi}\alpha\|^{2}\\\ \leq&~{}c\cdot\|\overline{D}^{*}_{\varphi}\alpha\|^{2}.\end{split}$ ($necessity$) We aim to prove the necessity with Riesz representation theorem. First, we denote the submodule $E=\\{\overline{D}^{*}_{\varphi}\alpha,~{}\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A}),~{}\varphi\in C^{2}(\Omega,\mathbb{R})\\}\subset L^{2}(\Omega,\mathcal{A},\varphi).$ Then we define a linear functional $L_{f}$ on $E$, i.e., $L_{f}\in E^{*alg}$ for a fixed $f\in L^{2}(\Omega,\mathcal{A},\varphi)$ as follows, $\langle L_{f},\overline{D}^{*}_{\varphi}\alpha\rangle=(f,\alpha)_{\varphi}=\int_{\Omega}\bar{f}\cdot\alpha\cdot e^{-\varphi}dx\in\mathcal{A}.$ From (3), we have $|\langle L_{f},\overline{D}^{*}_{\varphi}\alpha\rangle|_{0}=|(f,\alpha)_{\varphi}|_{0}\leq\sqrt{c}\cdot\|\overline{D}^{*}_{\varphi}\alpha\|,$ which meas that $L_{f}$ is a bounded functional from Definition 2.3. By the Hahn-Banach type theorem in Theorem 2.4, $L_{f}$ can be extended to a linear functional $\widetilde{L}_{f}$ on $L^{2}(\Omega,\mathcal{A},\varphi)$, and with $\begin{split}|\langle\widetilde{L}_{f},g\rangle|_{0}\leq\sqrt{c^{*}}\|g\|,~{}\forall g\in L^{2}(\Omega,\mathcal{A},\varphi),\end{split}$ (5) where $\sqrt{c^{*}}=\sqrt{c}\cdot|e_{0}|_{0}$, since $|e_{A}|_{0}=2^{n/2}$, then $c^{*}=2^{n}c$ from Brackx et al (1982). Now we are in the position to use the Riesz representation theorem for the operator $\widetilde{L}_{f}$. From Theorem 2.8, there exists a $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\begin{split}\langle\widetilde{L}_{f},g\rangle=(u,g)_{\varphi},~{}\forall g\in L^{2}(\Omega,\mathcal{A},\varphi).\end{split}$ (6) For $\forall\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$, let $g=\overline{D}^{*}_{\varphi}\alpha$. Then $\begin{split}(f,\alpha)_{\varphi}=&\langle\widetilde{L}_{f},\overline{D}^{*}_{\varphi}\alpha\rangle=(u,\overline{D}^{*}_{\varphi}\alpha)_{\varphi}=(\overline{D}u,\alpha)_{\varphi},\end{split}$ which deduces that $\int_{\Omega}\bar{f}\alpha e^{-\varphi}dx=\int_{\Omega}\overline{(\overline{D}u)}{\alpha}e^{-\varphi}dx.$ Conjugating both sides of above equation leads to $\int_{\Omega}\bar{\alpha}f\cdot e^{-\varphi}dx=\int_{\Omega}\bar{\alpha}(\overline{D})ue^{-\varphi}dx.$ Let $\alpha=\bar{\alpha}e^{\varphi}$, it can be obtained that $\int_{\Omega}\alpha fdx=\int_{\Omega}\alpha(\overline{D}u)dx,~{}\forall\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A}).$ Therefore, $\overline{D}u=f$ is proved from the definition of weak solutions. Next, we give the bound for the norm of $u$. Let $g=u=\sum_{A}e_{A}u_{A}\in L^{2}(\Omega,\mathcal{A},\varphi)$, from (5) and (6), we get that $\begin{split}|(u,u)_{\varphi}|_{0}\leq\sqrt{c^{*}}\|u\|.\end{split}$ (7) On the other hand, $\begin{split}|(u,u)_{\varphi}|_{0}^{2}=&\big{|}\int_{\Omega}\bar{u}ue^{-\varphi}dx\big{|}^{2}_{0}\\\ =&~{}2^{n}\cdot\big{[}\int_{\Omega}\bar{u}ue^{-\varphi}dx\cdot\overline{\int_{\Omega}\bar{u}ue^{-\varphi}dx}\big{]}_{0}\\\ =&~{}2^{n}\big{[}\int_{\Omega}(\sum\limits_{A}u^{2}_{A}+\sum\limits_{A\neq B}\bar{e}_{A}e_{B}u_{A}u_{B})e^{-\varphi}dx\cdot\overline{\int_{\Omega}(\sum\limits_{A}u^{2}_{A}+\sum\limits_{A\neq B}\bar{e}_{A}e_{B}u_{A}u_{B})e^{-\varphi}dx}\big{]}_{0}\\\ =&~{}2^{n}\big{[}(\int_{\Omega}\sum\limits_{A}u^{2}_{A}e^{-\varphi}dx)^{2}+(\int_{\Omega}\sum\limits_{A\neq B}u_{A}u_{B}e^{-\varphi}dx)^{2}\big{]},\end{split}$ and $\begin{split}\|u\|^{2}=&~{}\int_{\Omega}|u|^{2}_{0}e^{-\varphi}dx=2^{n}\int_{\Omega}[\bar{u}u]_{0}e^{-\varphi}dx=2^{n}\int_{\Omega}\sum\limits_{A}u^{2}_{A}\cdot e^{-\varphi}dx\end{split}$ So we have $\|u\|^{4}=2^{2n}\cdot(\int_{\Omega}\sum\limits_{A}u^{2}_{A}\cdot e^{-\varphi}dx)^{2}$. Hence, $|(u,u)_{\varphi}|_{0}^{2}=2^{n}[(\int_{\Omega}\sum\limits_{A}u^{2}_{A}\cdot e^{-\varphi}dx)^{2}+(\int_{\Omega}\sum\limits_{A\neq B}u_{A}u_{B}e^{-\varphi}dx)^{2}]\geq 2^{-n}\|u\|^{4}.$ Combining with (7), it is obtained that $\|u\|^{2}\leq 2^{n/2}|(u,u)_{\varphi}|_{0}\leq 2^{n/2}\sqrt{c^{*}}\|u\|,$ and $\|u\|^{2}\leq 2^{2n}{c}.$ The proof is completed. ## 4 The proof of Theorem 1.2 It should be noticed that inequality (3) in Theorem 1.1 is related with $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$. In the following, we will give another sufficient condition that has nothing to do with the space $C^{\infty}_{0}(\Omega,\mathcal{A})$. First, we need to compute the norm of $\|\overline{D}^{*}_{\varphi}\alpha\|$ for any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A}).$ $\begin{split}\|\overline{D}^{*}_{\varphi}\alpha\|^{2}=&\int_{\Omega}|\overline{D}^{*}_{\varphi}\alpha|^{2}_{0}e^{-\varphi}dx\\\ =&\int_{\Omega}\langle\tau_{e_{0}},\overline{\overline{D}^{*}_{\varphi}\alpha}\cdot\overline{D}^{*}_{\varphi}\alpha\rangle e^{-\varphi}dx\\\ =&\langle\tau_{e_{0}},\int_{\Omega}\overline{\overline{D}^{*}_{\varphi}\alpha}\cdot\overline{D}^{*}_{\varphi}\alpha e^{-\varphi}dx\rangle\\\ =&\langle\tau_{e_{0}},(\overline{D}^{*}_{\varphi}\alpha,\overline{D}^{*}_{\varphi}\alpha)_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}\overline{D}^{*}_{\varphi}\alpha)_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}(\alpha(D\varphi)-D\alpha))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}\alpha(D\varphi)+\alpha\Delta\varphi-\Delta\alpha+\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}^{*}_{\varphi}(\overline{D}\alpha)+\alpha\Delta\varphi+\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}^{*}_{\varphi}(\overline{D}\alpha))_{\varphi}+(\alpha,\alpha\Delta\varphi)_{\varphi}+(\alpha,\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\overline{D}^{*}_{\varphi}(\overline{D}\alpha))_{\varphi}\rangle+\langle\tau_{e_{0}},(\alpha,\alpha\Delta\varphi)_{\varphi}\rangle+\langle\tau_{e_{0}},(\alpha,\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&I_{1}+I_{2}+I_{3},\end{split}$ where $\begin{split}I_{1}=&\langle\tau_{e_{0}},(\alpha,\overline{D}^{*}_{\varphi}(\overline{D}\alpha))_{\varphi}\rangle=\langle\tau_{e_{0}},(\overline{D}\alpha,\overline{D}\alpha)_{\varphi}\rangle=\|\overline{D}\alpha\|^{2},\\\ I_{2}=&\langle\tau_{e_{0}},(\alpha,\alpha\Delta\varphi)_{\varphi}\rangle=\int_{\Omega}|\alpha|^{2}_{0}\Delta\varphi e^{-\varphi}dx,\end{split}$ and $\begin{split}I_{3}=&\langle\tau_{e_{0}},(\alpha,\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(D\varphi))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\sum\limits^{n}_{j=1}(e_{j}\alpha-\alpha e_{j})\frac{\partial}{\partial x_{j}}(\sum_{i=0}^{n}\bar{e}_{i}\frac{\partial\varphi}{\partial x_{i}}))_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},(\alpha,\sum\limits^{n}_{j=1}\sum_{i=0}^{n}(e_{j}\alpha\bar{e}_{i}-\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}})_{\varphi}\rangle\\\ =&\langle\tau_{e_{0}},\int_{\Omega}\bar{\alpha}\sum\limits^{n}_{j=1}\sum_{i=0}^{n}(e_{j}\alpha\bar{e}_{i}-\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}e^{-\varphi}dx\rangle\\\ =&\int_{\Omega}\langle\tau_{e_{0}},\bar{\alpha}\sum\limits^{n}_{j=1}\sum_{i=0}^{n}(e_{j}\alpha\bar{e}_{i}-\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle e^{-\varphi}dx.\end{split}$ It should be noticed that if $n=1$, i.e., the space $\mathbb{R}^{2}$ is considered, then $I_{3}=0.$ Since for $1\leq i,j\leq n$ and $i\neq j$, $e_{j}\bar{e}_{i}=-e_{j}{e}_{i}=e_{i}{e}_{j}=-{e}_{i}\bar{e}_{j}$. For simplicity, let $\begin{split}I_{4}=&\langle\tau_{e_{0}},\bar{\alpha}\sum\limits^{n}_{j=1}\sum\limits_{i=0}^{n}(e_{j}\alpha\bar{e}_{i}-\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}\sum\limits_{i=1}^{n}(\bar{\alpha}e_{j}\alpha\bar{e}_{i}-\bar{\alpha}\alpha e_{j}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle+\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}e_{j}\alpha\bar{e}_{0}-\bar{\alpha}\alpha e_{j}\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}e_{i}\alpha\bar{e}_{i}-\bar{\alpha}\alpha e_{i}\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle+\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}(\bar{\alpha}e_{j}\alpha\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ &+\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}e_{j}\alpha\bar{e}_{0}-\bar{\alpha}\alpha e_{j}\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}e_{i}\alpha\bar{e}_{i}-\bar{\alpha}\alpha)\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle+\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}(\bar{\alpha}e_{j}\alpha\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ &+\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}e_{j}\alpha\bar{e}_{0}-\bar{\alpha}\alpha e_{j}\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle\\\ =&I_{5}+I_{6}+I_{7}.\end{split}$ Assume $\alpha=\sum\limits_{A}\alpha_{A}e_{A}\in\mathcal{A},~{}\bar{\alpha}=\sum\limits_{A}\alpha_{A}\bar{e}_{A}$, then for any $1\leq i\leq n,$ $\begin{split}\bar{\alpha}e_{i}\alpha\bar{e}_{i}=&~{}\sum\limits_{A}\alpha_{A}\bar{e}_{A}e_{i}\cdot\sum\limits_{A}\alpha_{A}e_{A}\bar{e}_{i}\\\ =&~{}\sum\limits_{A}(-1)^{\frac{|A|(|A|+1)}{2}}\alpha_{A}e_{A}e_{i}\cdot\sum\limits_{A}(-1)\alpha_{A}e_{A}e_{i}\end{split}$ Therefore $\begin{split}I_{5}=&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}e_{i}\alpha\bar{e}_{i}-\bar{\alpha}\alpha)\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}e_{i}\alpha\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle-\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}\alpha)\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\sum\limits_{A}(-1)^{\frac{|A|(|A|+1)}{2}}\alpha_{A}e_{A}e_{i}\cdot\sum\limits_{A}(-1)\alpha_{A}e_{A}e_{i})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle-\langle\tau_{e_{0}},\sum\limits_{i=1}^{n}(\bar{\alpha}\alpha)\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\rangle\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{A}(-1)^{\frac{|A|(|A|+1)}{2}+1}\alpha_{A}^{2}e_{A}e_{i}e_{A}e_{i})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}-\sum\limits_{i=1}^{n}|\alpha|^{2}_{0}\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A}(-1)^{\frac{|A|(|A|+1)}{2}+1}\alpha^{2}_{A}\cdot\overline{e_{A}e_{i}}\cdot e_{A}e_{i}\cdot(-1)^{\frac{(|A|+1)(|A|+2)}{2}}\\\ &+\sum\limits_{i\in A}(-1)^{\frac{|A|(|A|+1)}{2}+1}\cdot\alpha^{2}_{A}\cdot\overline{e_{A-{i}}}\cdot e_{A-{i}}\cdot(-1)^{\frac{(|A|-1)(|A|)}{2}})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}-\sum\limits_{i=1}^{n}|\alpha|^{2}_{0}\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A}(-1)^{\frac{|A|(|A|+1)}{2}+1+\frac{(|A|+1)(|A|+2)}{2}}\cdot\alpha^{2}_{A}\\\ &+\sum\limits_{i\in A}(-1)^{\frac{|A|(|A|+1)}{2}+1+\frac{(|A|-1)(|A|)}{2}}\cdot\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}-\sum\limits_{i=1}^{n}|\alpha|^{2}_{0}\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A}(-1)^{|A|^{2}}\cdot\alpha^{2}_{A}+\sum\limits_{i\in A}(-1)^{|A|^{2}+1}\cdot\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}-\sum\limits_{i=1}^{n}|\alpha|^{2}_{0}\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&2^{n}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A,|A|^{2}~{}\mbox{is odd}}(-2)\alpha^{2}_{A}+\sum\limits_{i\in A,|A|^{2}~{}\mbox{is even}}(-2)\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\\\ =&-2^{n+1}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A,|A|^{2}~{}\mbox{is odd}}\alpha^{2}_{A}+\sum\limits_{i\in A,|A|^{2}~{}\mbox{is even}}\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}.\end{split}$ (8) To consider $I_{7}$, we first study $\bar{\alpha}e_{j}\alpha$ for any $1\leq j\leq n$. Without loss of generality, let $e_{j}=e_{1},~{}\bar{\alpha}=\sum\limits_{A}\alpha_{A}\bar{e}_{A},~{}\alpha=\sum\limits_{A}\alpha_{A}e_{A}$. Then $\bar{\alpha}e_{1}\alpha=(\sum\limits_{A}\alpha_{A}\bar{e}_{A})e_{1}(\sum\limits_{A}\alpha_{A}e_{A})$. When $e_{A}=e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$, where $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n.$ $\begin{split}\alpha_{A}\bar{e}_{A}e_{1}=&\alpha_{1h_{2}\cdots h_{r}}(-1)^{\frac{r(r+1)}{2}}\cdot e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}\cdot e_{1}\\\ =&\alpha_{1h_{2}\cdots h_{r}}(-1)^{\frac{r(r+1)}{2}+r}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}\\\ \alpha_{A}e_{A}e_{1}=&\alpha_{1h_{2}\cdots h_{r}}e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot e_{1}=\alpha_{1h_{2}\cdots h_{r}}(-1)^{r}e_{h_{2}}\cdots e_{h_{r}}.\end{split}$ (9) When $e_{A}=e_{1}$, $\begin{split}\alpha_{A}\bar{e}_{A}e_{1}=&\alpha_{1}\\\ \alpha_{A}e_{A}e_{1}=&-\alpha_{1}.\end{split}$ (10) When $e_{A}=e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$, where $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n.$ $\begin{split}\alpha_{A}\bar{e}_{A}e_{1}=&\alpha_{h_{2}\cdots h_{r}}(-1)^{\frac{(r-1)(r)}{2}}\cdot e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}\cdot e_{1}\\\ =&\alpha_{h_{2}\cdots h_{r}}(-1)^{\frac{(r-1)(r)}{2}+r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}\\\ \alpha_{A}e_{A}e_{1}=&\alpha_{h_{2}\cdots h_{r}}e_{h_{2}}\cdots e_{h_{r}}\cdot e_{1}=\alpha_{h_{2}\cdots h_{r}}(-1)^{r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}.\end{split}$ (11) When $e_{A}=e_{0}$, $\begin{split}\alpha_{A}\bar{e}_{A}e_{1}=&\alpha_{0}e_{1}\\\ \alpha_{A}e_{A}e_{1}=&\alpha_{0}e_{1}.\end{split}$ (12) To compute $I_{7}$, one needs to know the coefficient for $e_{0}$ of $\bar{\alpha}e_{1}\alpha-\bar{\alpha}\alpha e_{1}$. It means that we should find out the corresponding terms of $e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ and $e_{h_{2}}\cdots e_{h_{r}}$ in $\bar{\alpha}e_{1}$ and $\alpha$, in $\bar{\alpha}$ and $\alpha e_{1}$. Case a1. For $\bar{\alpha}e_{1}\alpha$, from (11), the corresponding terms of $e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ with $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n$ in $\bar{\alpha}e_{1}=(\sum\limits_{A}\alpha_{A}\bar{e}_{A})e_{1}$ and $\alpha=\sum\limits_{A}\alpha_{A}e_{A}$ are $\alpha_{h_{2}\cdots h_{r}}(-1)^{\frac{(r-1)(r)}{2}+r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}$ and $\alpha_{1h_{2}\cdots h_{r}}e_{1}e_{h_{2}}\cdots e_{h_{r}}$, respectively. Multiplying these terms leads to $\begin{split}(-1)&{}^{\frac{(r-1)(r)}{2}+r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}\cdot\alpha_{h_{2}\cdots h_{r}}\\\ =&~{}(-1)^{\frac{(r-1)(r)}{2}+r-1}(-1)^{\frac{(r)(r+1)}{2}}\cdot\overline{e_{1}\cdots e_{h_{r}}}\cdot e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}\alpha_{h_{2}\cdots h_{r}}\\\ =&~{}(-1)^{\frac{(r)(r+1)}{2}+r-1+\frac{(r-1)(r)}{2}}\cdot\alpha_{1h_{2}\cdots h_{r}}\alpha_{h_{2}\cdots h_{r}}.\end{split}$ (13) On the other hand, for $\bar{\alpha}e_{1}\alpha$, from (9), the corresponding terms of $e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ with $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n$ in $\bar{\alpha}e_{1}$ and $\alpha$ are $\alpha_{1h_{2}\cdots h_{r}}(-1)^{\frac{r(r+1)}{2}+r}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ and $\alpha_{h_{2}\cdots h_{r}}e_{h_{2}}\cdots e_{h_{r}}$, respectively. Multiplying these terms leads to $\begin{split}(-1)&{}^{\frac{(r)(r+1)}{2}+r}e_{h_{2}\cdots h_{r}}\cdot e_{h_{2}\cdots h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}\cdot\alpha_{h_{2}\cdots h_{r}}\\\ =&~{}(-1)^{\frac{(r)(r+1)}{2}+r}(-1)^{\frac{(r-1)(r)}{2}}\cdot\overline{e_{h_{2}\cdots h_{r}}}\cdot e_{h_{2}\cdots h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}\alpha_{h_{2}\cdots h_{r}}\\\ =&~{}(-1)^{\frac{(r)(r+1)}{2}+r+\frac{(r-1)(r)}{2}}\cdot\alpha_{1h_{2}\cdots h_{r}}\alpha_{h_{2}\cdots h_{r}}.\end{split}$ (14) From (13) and (14), these two terms vanish. Case a2. For $\bar{\alpha}e_{1}\alpha$, from (12), the corresponding terms of $e_{1}$ in $\bar{\alpha}e_{1}$ and $\alpha$ are $\alpha_{0}e_{1}$ and $\alpha_{1}e_{1}$, respectively. Multiplying these terms leads to $\begin{split}\alpha_{0}e_{1}\alpha_{1}e_{1}=-\alpha_{0}\alpha_{1}.\end{split}$ (15) On the other hand, for $\bar{\alpha}e_{1}\alpha$, from (10), the corresponding terms of $e_{0}$ in $\bar{\alpha}e_{1}$ and $\alpha$ are $\alpha_{1}$ and $\alpha_{0}$, respectively. Multiplying these terms leads to $\alpha_{0}\alpha_{1}$. Combining with (15), these two terms also vanish. From Cases a1 and a2, one can obtain that the coefficient for $e_{0}$ of $\bar{\alpha}e_{1}\alpha$ equals zero, i.e., $\begin{split}\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}e_{j}\alpha\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle=0.\end{split}$ (16) Case b1. For $\bar{\alpha}\alpha e_{1}$, from (11), the corresponding terms of $e_{1}e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ with $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n$ in ${\alpha}e_{1}=(\sum\limits_{A}\alpha_{A}{e}_{A})e_{1}$ and $\bar{\alpha}=\sum\limits_{A}\alpha_{A}\bar{e}_{A}$ are $\alpha_{h_{2}\cdots h_{r}}(-1)^{r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}$ and $\alpha_{1h_{2}\cdots h_{r}}\overline{e_{1}e_{h_{2}}\cdots e_{h_{r}}}$, respectively. Multiplying these terms leads to $\begin{split}(\alpha_{1h_{2}\cdots h_{r}}&\overline{e_{1}e_{h_{2}}\cdots e_{h_{r}}})\cdot(\alpha_{h_{2}\cdots h_{r}}e_{h_{2}}\cdots e_{h_{r}}\cdot e_{1})\\\ =&~{}(\alpha_{1h_{2}\cdots h_{r}}\overline{e_{1}e_{h_{2}}\cdots e_{h_{r}}})\cdot((-1)^{r-1}e_{1}e_{h_{2}}\cdots e_{h_{r}}\cdot\alpha_{h_{2}\cdots h_{r}})\\\ =&~{}(-1)^{r-1}\alpha_{1h_{2}\cdots h_{r}}\cdot\alpha_{h_{2}\cdots h_{r}}.\end{split}$ (17) On the other hand, for $\bar{\alpha}\alpha e_{1}$, from (9), the corresponding terms of $e_{h_{2}}e_{h_{3}}\cdots e_{h_{r}}$ with $1<h_{2}<h_{3}<\cdots<h_{r}$ and $1<r\leq n$ in ${\alpha}e_{1}$ and $\bar{\alpha}$ are $\alpha_{1h_{2}\cdots h_{r}}(-1)^{r}e_{h_{2}}\cdots e_{h_{r}}$ and $\alpha_{h_{2}\cdots h_{r}}\overline{e_{h_{2}}\cdots e_{h_{r}}}$, respectively. Multiplying these terms leads to $\begin{split}(\alpha_{h_{2}\cdots h_{r}}&\overline{e_{h_{2}}\cdots e_{h_{r}}})\cdot(\alpha_{1h_{2}\cdots h_{r}}e_{1}\cdots e_{h_{r}}\cdot e_{1})\\\ =&~{}(\alpha_{h_{2}\cdots h_{r}}\overline{e_{h_{2}}\cdots e_{h_{r}}})\cdot((-1)^{r}e_{h_{2}}\cdots e_{h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}})\\\ =&~{}(-1)^{r}\alpha_{h_{2}\cdots h_{r}}\cdot\alpha_{1h_{2}\cdots h_{r}}.\end{split}$ (18) From (17) and (18), these two terms vanish. Case b2. For $\bar{\alpha}\alpha e_{1}$, from (12), the corresponding terms of $e_{1}$ in ${\alpha}e_{1}$ and $\bar{\alpha}$ are $\alpha_{0}e_{1}$ and $\alpha_{1}\bar{e}_{1}$, respectively. Multiplying these terms leads to $\begin{split}\alpha_{0}e_{1}\alpha_{1}\bar{e}_{1}=\alpha_{0}\alpha_{1}.\end{split}$ (19) On the other hand, for $\bar{\alpha}\alpha e_{1}$, from (10), the corresponding terms of $e_{0}$ in ${\alpha}e_{1}$ and $\bar{\alpha}$ are $-\alpha_{1}$ and $\alpha_{0}$, respectively. Multiplying these terms leads to $-\alpha_{0}\alpha_{1}$. Combining with (19), these two terms also cancel. From Cases b1 and b2, one can obtain that the coefficient for $e_{0}$ of $\bar{\alpha}e_{1}\alpha$ equals zero, i.e., $\begin{split}\langle\tau_{e_{0}},\sum\limits^{n}_{j=1}(\bar{\alpha}\alpha e_{j}\bar{e}_{0})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{0}}\rangle=0.\end{split}$ (20) Thus, $I_{7}=0$ from (16) and (20). To compute $I_{6}$, i.e., to get $[\bar{\alpha}e_{i}\alpha\bar{e}_{j}]_{0}$ for $i\neq j$, similar with the analysis of $I_{7}$, we should divide the vectors in $\bar{\alpha}e_{i}$ and $\alpha\bar{e}_{j}$ into four cases. Case c1. $i\in A,~{}j\not\in A$ for $e_{A}$ in $\bar{\alpha}$ and $i\not\in B,~{}j\in B$ for $e_{B}$ in ${\alpha}$ with $A-{i}=B-{j}$. For this case, firstly, we assume $e_{A}=e_{h_{1}\cdots h_{p(i)}\cdots h_{r}}$ and $h_{p(i)}=i$, $e_{B}=e_{h_{1}\cdots h_{p(j)}\cdots h_{r}}$ and $h_{p(j)}=j$. We have $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{i}\cdots e_{h_{r}}\cdot e_{i}\\\ =&\alpha_{A}(-1)^{\frac{r(r+1)}{2}+r-p(i)}e_{h_{1}}\cdots e_{i}^{2}\cdots e_{h_{r}},\\\ =&\alpha_{A}(-1)^{\frac{r(r+1)}{2}+r-p(i)+1}e_{A-{i}},\\\ \alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{B}e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot\bar{e}_{j}\\\ =&\alpha_{B}(-1)^{r-p(j)}e_{h_{1}}\cdots e_{j}\bar{e}_{j}\cdots e_{h_{r}},\\\ =&\alpha_{B}(-1)^{r-p(j)}e_{B-{j}}.\end{split}$ Then $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}\alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}+r-p(i)+1}e_{A-{i}}\alpha_{B}(-1)^{r-p(j)}e_{B-{j}}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{r(r+1)}{2}+r-p(i)+1+r-p(j)+\frac{r(r-1)}{2}}\overline{e_{A-{i}}}e_{B-{j}}\\\ =&\alpha_{A}\alpha_{B}(-1)^{r^{2}+1-p(i)-p(j)}.\end{split}$ (21) Case c2. $i\not\in A,~{}j\in A$ for $e_{A}$ in $\bar{\alpha}$ and $i\in B,~{}j\not\in B$ for $e_{B}$ in ${\alpha}$ with $A+{i}=B+{j}$. We assume $e_{A}=e_{h_{1}\cdots h_{p(j)}\cdots h_{r}}$ and $h_{p(j)}=j$, $e_{B}=e_{h_{1}\cdots h_{p(i)}\cdots h_{r}}$ and $h_{p(i)}=i$. We have $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i},\\\ \alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{B}e_{h_{1}}\cdots e_{i}\cdots e_{h_{r}}\cdot\bar{e}_{j}\\\ =&-\alpha_{B}e_{h_{1}}\cdots e_{i}\cdots e_{h_{r}}\cdot{e}_{j}\\\ =&\alpha_{B}e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}.\end{split}$ Then $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}\alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}\alpha_{B}e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{r(r+1)}{2}+\frac{(r+1)(r+2)}{2}}\overline{e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}}e_{h_{1}}\cdots e_{j}\cdots e_{h_{r}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{r^{2}+1}.\end{split}$ Case c3. $i\in A,~{}j\in A$ for $e_{A}$ in $\bar{\alpha}$ and $i\not\in B,~{}j\not\in B$ for $e_{B}$ in ${\alpha}$ with $A-{i}=B+{j}$. For this case, we assume $e_{A}=e_{h_{1}\cdots h_{p(i)}\cdots h_{p(j)}\cdots h_{r+2}}$ with $h_{p(i)}=i,~{}h_{p(j)}=j$. Without loss of generality, we assume $i<j$. Furthermore, let $e_{B}=e_{h_{1}\cdots h_{r}}$. We have $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}=&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}}\cdot e_{h_{1}}\cdots e_{i}\cdots e_{j}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}+r+2-h(i)}\cdot e_{h_{1}}\cdots e_{j}\cdots e_{h_{r+2}}\cdot e^{2}_{i}\\\ =&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}+r+1-h(i)}\cdot e_{h_{1}}\cdots e_{j}\cdots e_{h_{r+2}}\\\ =&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}+r+1-h(i)+r+2-h(j)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{j},\\\ \alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{B}e_{h_{1}}\cdots e_{h_{r}}\cdot\bar{e}_{j}\\\ =&-\alpha_{B}e_{h_{1}}\cdots e_{h_{r}}\cdot{e}_{j}.\end{split}$ Then $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}\alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{A}(-1)^{\frac{(r+2)(r+3)}{2}+r+1-h(i)+r+2-h(j)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{j}(-1)\alpha_{B}e_{h_{1}}\cdots e_{h_{r}}\cdot{e}_{j}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{(r+2)(r+3)}{2}-h(i)-h(j)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{j}e_{h_{1}}\cdots e_{h_{r}}\cdot e_{j}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{(r+2)(r+3)}{2}-h(i)-h(j)+\frac{(r+1)(r+2)}{2}}\cdot\overline{e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{j}}e_{h_{1}}\cdots e_{h_{r}}\cdot e_{j}\\\ =&\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}.\end{split}$ Case c4. $i\not\in A,~{}j\not\in A$ for $e_{A}$ in $\bar{\alpha}$ and $i\in B,~{}j\in B$ for $e_{B}$ in ${\alpha}$ with $A+{i}=B-{j}$. For this case, we assume $e_{A}=e_{h_{1}\cdots h_{r}}$, $e_{B}=e_{h_{1}\cdots h_{p(i)}\cdots h_{p(j)}\cdots h_{r+2}}$ with $h_{p(i)}=i,~{}h_{p(j)}=j$ and $i<j$. We have $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{h_{r}}\cdot e_{i},\\\ \alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{B}e_{h_{1}}\cdots e_{i}\cdots e_{j}\cdots e_{h_{r+2}}\cdot\bar{e}_{j}\\\ =&\alpha_{B}(-1)^{r+2-h(j)}\cdot e_{h_{1}}\cdots e_{i}\cdots e_{h_{r+2}}\cdot e_{j}\bar{e}_{j}\\\ =&\alpha_{B}(-1)^{r+2-h(j)+r+2-h(i)-1}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{B}(-1)^{1-h(j)-h(i)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ \end{split}$ Then $\begin{split}\alpha_{A}\bar{e}_{A}e_{i}\alpha_{B}{e}_{B}\bar{e}_{j}=&\alpha_{A}(-1)^{\frac{r(r+1)}{2}}\cdot e_{h_{1}}\cdots e_{h_{r}}\cdot e_{i}\alpha_{B}(-1)^{1-h(j)-h(i)}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{r(r+1)}{2}+1-h(j)-h(i)}\cdot e_{h_{1}}\cdots e_{h_{r}}\cdot e_{i}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{\frac{r(r+1)}{2}+1-h(j)-h(i)+\frac{(r+1)(r+2)}{2}}\cdot\overline{e_{h_{1}}\cdots e_{h_{r}}\cdot e_{i}}\cdot e_{h_{1}}\cdots e_{h_{r+2}}\cdot e_{i}\\\ =&\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}.\end{split}$ Combining cases c1-c4, we have $\begin{split}I_{6}=&\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}(\bar{\alpha}e_{j}\alpha\bar{e}_{i})\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}\big{(}(\sum_{A}\bar{e_{A}}\alpha_{A})e_{j}(\sum_{B}{e_{B}}\alpha_{B})\bar{e}_{i}\big{)}\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}\rangle\\\ =&\langle\tau_{e_{0}},\sum\limits^{n}_{j\neq i}\big{(}(\sum_{A}\bar{e_{A}}\alpha_{A})e_{i}(\sum_{B}{e_{B}}\alpha_{B})\bar{e}_{j}\big{)}\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}\rangle\\\ =&\sum\limits^{n}_{j\neq i}\langle\tau_{e_{0}},(\sum_{A}\bar{e_{A}}\alpha_{A})e_{i}(\sum_{B}{e_{B}}\alpha_{B})\bar{e}_{j}\rangle\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}\\\ =&\sum\limits^{n}_{j\neq i}\langle\tau_{e_{0}},(\sum_{A}\bar{e_{A}}\alpha_{A})e_{i}(\sum_{B}{e_{B}}\alpha_{B})\bar{e}_{j}\rangle\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}\\\ =&2^{n}\sum\limits^{n}_{j\neq i}\Big{(}\sum_{i\in A,~{}j\not\in A;A-{i}=B-{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}+1-p(i)-p(j)}\\\ &+\sum_{i\not\in A,~{}j\in A;A+{i}=B+{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}+1}\\\ &+\sum_{i\in A,~{}j\in A;A-{i}=B+{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}\\\ &+\sum_{i\not\in A,~{}j\not\in A;A+{i}=B-{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}\Big{)}\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}.\end{split}$ In all, $\begin{split}I_{3}=&\int_{\Omega}I_{4}e^{-\varphi}dx\\\ =&\int_{\Omega}(I_{5}+I_{6}+I_{7})e^{-\varphi}dx\\\ =&-2^{n+1}\int_{\Omega}\sum\limits_{i=1}^{n}(\sum\limits_{i\not\in A,|A|^{2}~{}\mbox{is odd}}\alpha^{2}_{A}+\sum\limits_{i\in A,|A|^{2}~{}\mbox{is even}}\alpha^{2}_{A})\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}e^{-\varphi}dx\\\ &+2^{n}\int_{\Omega}\sum\limits^{n}_{j\neq i}\Big{(}\sum_{i\in A,~{}j\not\in A;A-{i}=B-{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}+1-p(i)-p(j)}\\\ &+\sum_{i\not\in A,~{}j\in A;A+{i}=B+{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}+1}\\\ &+\sum_{i\in A,~{}j\in A;A-{i}=B+{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}\\\ &+\sum_{i\not\in A,~{}j\not\in A;A+{i}=B-{j}}\alpha_{A}\alpha_{B}(-1)^{r^{2}-h(j)-h(i)}\Big{)}\frac{\partial^{2}\varphi}{\partial x_{i}\partial x_{j}}e^{-\varphi}dx.\end{split}$ Then $\begin{split}\|\overline{D}^{*}_{\varphi}\alpha\|^{2}=\|\overline{D}\alpha\|^{2}+\int_{\Omega}|\alpha|^{2}_{0}\Delta\varphi e^{-\varphi}dx+I_{3}.\end{split}$ (22) If $\frac{\partial^{2}\varphi}{\partial x_{j}\partial x_{i}}=0,~{}i\neq j,~{}1\leq i,j\leq n$ and $\frac{\partial^{2}\varphi}{\partial x^{2}_{i}}\leq 0,~{}1\leq i\leq n$, we have $I_{3}\geq 0$, and $\|\overline{D}^{*}_{\varphi}\alpha\|^{2}\geq\int_{\Omega}|\alpha|^{2}_{0}\Delta\varphi e^{-\varphi}dx.$ With the above analysis, we can prove Theorem 1.2 easily. ###### Proof It is sufficient to prove the theorem if condition (3) in Theorem 1.1 is presented. By Cauchy-Schwarz inequality in Proposition 2.6, we have for any $\alpha\in C^{\infty}_{0}(\Omega,\mathcal{A})$ that $\begin{split}|({f},\alpha)_{\varphi}|^{2}_{0}=&\big{|}\int_{\Omega}\bar{f}\cdot\alpha e^{-\varphi}dx\big{|}^{2}_{0}\\\ =&~{}\big{|}\int_{\Omega}\bar{f}\cdot\frac{1}{\sqrt{\Delta\varphi}}\cdot\alpha\cdot\sqrt{\Delta\varphi}\cdot e^{-\varphi}dx\big{|}^{2}_{0}\\\ \leq&~{}\big{\|}\bar{f}\frac{1}{\sqrt{\Delta\varphi}}\big{\|}^{2}\cdot\big{\|}\alpha\cdot\sqrt{\Delta\varphi}\big{\|}^{2}\\\ =&~{}\int_{\Omega}\big{|}\frac{\bar{f}}{\sqrt{\Delta\varphi}}\big{|}^{2}_{0}e^{-\varphi}dx\cdot\int_{\Omega}\big{|}\alpha\cdot\sqrt{\Delta\varphi}\big{|}^{2}_{0}e^{-\varphi}dx\\\ \leq&c\|\overline{D}^{*}_{\varphi}\alpha\|^{2}.\end{split}$ The proof is completed with Theorem 1.1. It should be noticed that when $n=1$, $I_{3}=0$. Then it comes from equation (22) that the Hörmander’s $L^{2}$ theorem in $\mathbb{R}^{2}$ could be described which equals the classical Hörmander’s $L^{2}$ theorem in $\mathbb{C}$. ###### Corollary 4.1 Given $\varphi\in C^{2}(\Omega,\mathbb{R})$ with $\Omega$ being an open subset of $\mathbb{R}^{2}$; $\Delta\varphi\geq 0$. Then for all $f\in L^{2}(\Omega,\mathcal{A},\varphi)$ with $\int_{\Omega}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx=c<\infty$, there exists a $u\in L^{2}(\Omega,\mathcal{A},\varphi)$ such that $\overline{D}u=f$ with $\|u\|^{2}\leq\int_{\Omega}\frac{|f|^{2}_{0}}{\Delta\varphi}e^{-\varphi}dx.$ ## 5 Conclusion In this paper, based on the Hörmander’s $L^{2}$ theorem in complex analysis, the Hörmander’s $L^{2}$ theorem for Dirac operator in $\mathbb{R}^{n+1}$ has been obtained by Clifford algebra. When $n=1$, the result is equivalent to the classical Hörmander’s $L^{2}$ theorem in complex variable. Moreover, for any $f$ in $L^{2}$ space over a bounded domain with value in Clifford algebra, there is a weak solution of Dirac operator with the solution in the $L^{2}$ space as well. The potential applications of the results will be studied in our future work. ###### Acknowledgements. This work was supported by the National Natural Science Foundations of China (No. 11171255, 11101373) and Doctoral Program Foundation of the Ministry of Education of China (No. 20090072110053). ## References * Brackx et al (1982) Brackx F, Delanghe R, Sommen F (1982) Clifford Analysis, Research Notes in Mathematics. London, Pitman * De Ridder et al (2012) De Ridder H, De Schepper H, Sommen F (2012) Fueter polynomials in discrete Clifford analysis. Mathematische Zeitschrift 272 (2012) :253–268. * Gong et al (2009) Gong Y, Leong IT, Qian T (2009) Two integral operators in Clifford analysis. Journal of Mathematical Analysis and Applications 354(2):435–444 * Hörmander (1965) Hörmander L (1965) $l^{2}$ estimates and existence theorems for the operator. Acta Mathematica 113(1):89–152 * Huang et al (2006) Huang S, Qiao YY, Wen GC (2006) Real and Complex Clifford Analysis, Advances in Complex Analysis and Its Applications. New York, Springer * Qian and Ryan (1996) Qian T, Ryan J (1996) Conformal transformations and Hardy spaces arising in Clifford analysis. Journal of Operator Theory 35(2):349–372 * Ryan (1990) Ryan J (1990) Iterated Dirac operators in $C^{n}$. Zeitschrift für Analysis und ihre Anwendungen 9:385–401 * Ryan (1995) Ryan J (1995) Cauchy-Green type formulae in Clifford analysis. Transactions of the American Mathematical Society 347(4):1331–1342 * Ryan (2000) Ryan J (2000) Basic Clifford analysis. Cubo Matemática Educacional 2:226–256
arxiv-papers
2013-04-19T00:32:06
2024-09-04T02:49:44.597959
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Liu Yang, Chen Zhihua and Pan Yifei", "submitter": "Yang Liu", "url": "https://arxiv.org/abs/1304.5287" }
1304.5315
# Quality-Aware Coding and Relaying for 60 GHz Real-Time Wireless Video Broadcasting Joongheon Kim†, Member, IEEE, Yafei Tian♮, Member, IEEE, Stefan Mangold§, Member, IEEE, and Andreas F. Molisch‡, Fellow, IEEE †‡Communication Sciences Institute, University of Southern California, Los Angeles, CA 90089, USA ♮School of Electronics and Information Engineering, Beihang University, Beijing 100191, China §Disney Research, 8092 Zurich, Switzerland Emails: †[email protected], ♮[email protected], §[email protected], ‡[email protected] ###### Abstract Wireless streaming of high-definition video is a promising application for 60 GHz links, since multi-Gigabit/s data rates are possible. In particular we consider a sports stadium broadcasting system where video signals from multiple cameras are transmitted to a central location. Due to the high pathloss of 60 GHz radiation over the large distances encountered in this setting, the use of relays is required. This paper designs a quality-aware coding and relaying algorithm for maximization of the overall video quality. We consider the setting that the source can split its data stream into parallel streams, which can be transmitted via different relays to the destination. For this, we derive the related formulation and re-formulate it as convex programming, which can guarantee optimal solutions. ## I Introduction Wireless video streaming in the millimeter-wave range has received a lot of attention in both the academic and industrial communities. In particular the 60 GHz frequency range is of great interest: around 7 GHz bandwidth (58-65 GHz) has been made available, which enables multi-Gbit/s high-definition video streaming in an uncompressed, or less compressed, manner. Therefore, two industry consortia, i.e., WirelessHD and Wireless Gigabit Alliance (WiGig), have developed related specifications; there are also two activities within the IEEE, namely IEEE 802.15.3c [1] and IEEE 802.11ad [2]. In this paper, we design and analyze such a 60 GHz video transmission system for outdoor applications, in particular in a sports stadium. In this system, there are multiple wireless video cameras in a stadium for high-quality real- time broadcasting, all send their signals to a broadcasting center. To transmit uncompressed HD video streams in real-time, a data rate of around $1.5$ Gbit/s is required [3]. Since the distance between wireless cameras and a broadcasting center is on the order of several hundred meters, the high pathloss at 60 GHz is one of key challenges that limits communication ranges. One promising approach to deal with this problem is using relays for extending the coverage [3]. Additionally, we take the complexity of the antennas into account. In order to compensate for the high pathloss, as well as to reduce interference, high-gain antennas need to be employed. We also consider the situation where the antenna at the camera (video source) can form multiple beams, so that it can split its data stream into multiple streams and send them to the destination via parallel links. By introducing multiple beams in each relay, our framework operates even though the number of relays is smaller than the number of sources. In this case, appropriate compression and routing of multiple streams via the same relay can be used. Relaying for sum rate maximization has been analyzed in many papers. However, for video streaming, we are more interested in video quality. For this, the proposed quality-aware formulation selects the relays and decides the coding rates for every single video stream. With this formulation, optimal solutions are obtained by convex optimization techniques. Thus, the contribution of the proposed scheme is achieving joint rate and relay selection with video quality consideration and an interference-free operation. This combination of special features makes it different from other schemes. (a) Wireless Video Camera (Source) (b) Relay (c) Broadcasting Center Figure 1: System Components (Camera (a), Relay (b), Broadcasting Center (c)) Figure 2: Overall Architecture ## II Related Work There are two salient factors in our broadcasting setup: (i) stream splitting via the multiple-beam antennas, and (ii) rate control for video quality maximization. In the following, we outline why these aspects make the setup different from other scenarios that have been treated in the literature. There is, of course, a huge number of papers (too numerous to reference here) dealing with the topic of routing (relay selection) and sum rate maximization in multi-node networks with multi-beam relays [5] and with multi-beam sources and relays [6]. However these papers do not consider the control of the video coding rate (compression), and are thus not directly applicable to our scenario. For video networks, example publications include [7, 8, 9]. The scheme in [7] is for video streaming over IEEE 802.11 networks. The proposed scheme is efficient for the multi-hop networks it investigates; however, it does not consider the video stream splitting via the multi-beam antennas and route selection. Ref. [8] considers video streaming in multi-hop networks. It considers networks similar to ours (when specialized to the two-hop case), but again does not investigate multi-beam antennas and the splitting of the data streams. The formulation in [9] considers path selection for video streaming in MANET. It concentrates on the consideration of interference, a factor that does not play a role in our 60 GHz channel, where the high directionality of the links prevents inter-stream interference. None of these papers consider the control of the coding rate (compression). In previous research on video streaming, schemes usually considered multipath transmission to combat the limited bandwidth [8][9]. Also, some of the research considered retransmission of frames and tried to reduce transmission time [7]. However, thanks to the extremely large bandwidth at 60 GHz, these factors are not longer critical in our system. The representative work which considers both rate control and routing appeared in [10]: However, the relays cannot aggregate streams, which is required when the number of relays is smaller than the number of flows. In addition, the proposed framework does not consider the properties of video. In our previous work [3], we considered the properties of 60 GHz channel, rate control, and video quality, but we restricted ourselves to the cases that the number of relays exceeds the number of sources (i.e., no consideration for multi-beam antennas) and the numbers of sources and destinations are identical. We finally note that wireless video for sports stadiums [11]; however the fundamental setup differs from ours in that [11] considers content distribution to wireless devices of the audience in the stadium, while our system is for real-time streaming to a broadcasting center in the stadium. ## III A Reference System Architecture ### III-A Link Budget Analysis Shannon’s equation for the capacity is used for the data rate: $C=B\cdot\log_{2}\left(1+\text{SNR}\right)$ (1) where SNR is equal to $P_{\text{signal}}/P_{\text{noise}}$ on a linear scale, $P_{\text{signal}}$ and $P_{\text{noise}}$ stand for the signal power and noise power, and $B$ stands for bandwidth ($2.16$ GHz in WiGig [2]) [12]. The signal power expressed in dB, $P_{\text{signal, dB}}$, is obtained as: $P_{\text{signal,dB}}=E+G_{r}-W-O(d)+F(d)$ (2) where $E$ denotes the EIRP (equivalent isotropically radiated power), which is limited to $40$ dBm in the USA and $57$ dBm in Europe. $G_{r}$ means the receiver antenna gain and is set to $40$ dB, which corresponds to high-gain 60 GHz scalar horn antennas [13], which we propose to achieve long range. Shadowing can be either temporally variant (due to people walking close to LOS), or time-invariant (due to objects that are (partly) shadowing off the LOS. While the shadowing variances envisioned for our deployment scenarios are on the order of a few dB, we use a $10$ dB shadowing margin to provide high link reliability. $F(d)$ is the mean pathloss, which depends on the distance $d$ between transmitter and receiver $F(d)=10\log_{10}\left\\{\lambda/(4\pi d)\right\\}^{n}$ (3) where the pathloss coefficient $n$ is set to $2.5$ [14] and the wavelength ($\lambda$) is $5$ millimeter at $60$ GHz. $O(d)$ denotes the oxygen attenuation, which can be computed as $O(d)=\frac{15}{1000}d$ when $d>200$ m. Otherwise, it is ignored [14]. The noise power in dB, $P_{\text{noise,dB}}$ is computed as: $P_{\text{noise,dB}}=10\log_{10}\left(k_{B}T_{e}\cdot B\right)+F_{N}$ (4) where $k_{B}T_{e}$ stands for the noise power spectral density ($-174$ dBm/Hz) and $F_{N}$ is the noise figure of the receiver ($6$ dB). By combining the above equations, approximately $200-300$ m is the maximum distance for obtaining $1.5$ GBit/s data rate, i.e., successful uncompressed video transmission. ### III-B 60 GHz Outdoor Broadcasting Systems As shown in Sec. III-A, the assistance of relays is required if the distance between wireless cameras and a broadcasting center is more than $200-300$ m. Furthermore, the size of a sports stadium (from wireless cameras to a broadcasting center) is generally not more than $500$ m. Thus, we restrict the number of relays to one. In our 60 GHz broadcasting system, three components are existing, i.e., wireless video cameras, relays, and a broadcasting center. As presented in Fig. 1(a), the proposed wireless video cameras have scalable video coding (SVC) functionalities that reproduce the recorded video signals as layered SVC-coded bitstreams. If the achievable rate of a 60 GHz link is sufficient for uncompressed video streaming (i.e., more than $1.5$ Gbit/s), all layers can be transmitted. Otherwise, the optimal coding level decision module has to determine the number of layers. Each wireless video camera has multiple-beam antennas. Therefore, each antenna can form $N$ independent beams, so that the multiple streams created by SVC-encoding are divided into $N$ parts and each part is assigned to a beam to be concurrently transmitted. We furthermore assume that the relays have multiple-beam antennas for reception, see Fig. 1(b). The relays aggregate the received signals and transmit them towards a broadcasting center. As presented in Fig. 1(c), the proposed broadcasting center has multiple antennas which are facing the relays. We emphasize that due to the narrow beamwidth ($1.5^{\circ}$-$10^{\circ}$ [13]) of the antennas, multiple streams arriving at the broadcasting center or relays do not interfere with each other. ### III-C Objective For this given system, our objective is the maximization of the delivered total video quality. As shown in [4], the quality of video is related to the data rate in a nonlinear fashion as a sublinearly, but monotonically, increasing form. Following is one example of a quality function: $f_{q}(a)=\frac{1}{\log_{\beta}(a_{\text{max}}+1)}\log_{\beta}(a+1)$ (5) $\beta$ is a base ($1<\beta$), $a_{\text{max}}$ is a desired data rate for uncompressed video streaming, and $a$ is a given data rate. ## IV Mathematical Optimization Formulation Fig. 2 shows the reference model with a set of sources $\mathcal{S}$, a set of relays $\mathcal{R}$, and a single destination $D$. In the relay-destination region (RDR) of Fig. 2, all relays are connected to $D$. Then the maximum achievable rates of all relay and destination pairs can be computed (i.e., $a_{r_{1}\rightarrow D}^{\text{RDR}},\cdots,a_{r_{|\mathcal{R}|}\rightarrow D}^{\text{RDR}}$). Our assumption is that $D$ can form a sufficient number of independent beams so that it has no limitations concerning the number of relays. Thus, we wish to find optimal combinations between sources and relays in source-relay region (SRR) for the settings that both sources and relays can form multiple beams. Then, our formulation for the maximization of delivered total video quality is as follows: $\max\sum_{j=1}^{|\mathcal{R}|}\sum_{i=1}^{|\mathcal{S}|}f_{q}\left(\frac{1}{2}a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\right)x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ (6) subject to $\displaystyle\sum_{i=1}^{|\mathcal{S}|}a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ $\displaystyle\leq$ $\displaystyle\mathcal{A}_{r_{j}\rightarrow D}^{\text{RDR}},\forall j,$ (7) $\displaystyle\sum_{i=1}^{|\mathcal{S}|}x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ $\displaystyle\leq$ $\displaystyle B_{r_{j}},\forall j,$ (8) $\displaystyle\sum_{j=1}^{|\mathcal{R}|}x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ $\displaystyle\leq$ $\displaystyle B_{s_{i}},\forall i,$ (9) $\displaystyle\underline{a}_{s_{i}}$ $\displaystyle\leq$ $\displaystyle\sum_{j=1}^{|\mathcal{R}|}a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}x_{s_{i}\rightarrow r_{j}}^{\text{SRR}},\forall i,$ (10) $\displaystyle a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ $\displaystyle\leq$ $\displaystyle\mathcal{A}_{s_{i}\rightarrow r_{j}}^{\text{SRR}},\forall i,\forall j,$ (11) $\displaystyle x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ $\displaystyle\in$ $\displaystyle\\{0,1\\},\forall i,\forall j,$ (12) where $a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ and $x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ stand for the Data rate between $s_{i}$ and $r_{j}$ and Boolean connectivity index between $s_{i}$ and $r_{j}$, respectively. Note that $s_{i}$ and $r_{j}$ stand for the source $i$, $\forall i\in\\{1,\cdots,|\mathcal{S}|\\}$ and the relay $j$, $\forall j\in\\{1,\cdots,|\mathcal{R}|\\}$, respectively. If $s_{i}$ and $r_{j}$ are connected, $x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ is $1$ by (12). Otherwise, $x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ is $0$ by (12). The relays are all connected to $D$, thus, $x_{r_{j}\rightarrow D}^{\text{RDR}}=1$. The $\mathcal{A}_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ and $\mathcal{A}_{r_{j}\rightarrow D}^{\text{RDR}}$ are maximum achievable rates computed by (1). In addition, the desired data rates between $s_{i}$ and $r_{j}$ are less than $\mathcal{A}_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ as shown in (11) where $f_{q}\left(\cdot\right)$ is a function for the relationship between video quality and data rate (logarithmically and monotonically increasing form). As shown in (10), the desired data rates between $s_{i}$ and $r_{j}$ should exceed the defined minimum rates ($\underline{a}_{s_{i}}$, $\forall s_{i}$), which are minimum data rates for guaranteeing the required minimum video qualities for each flow. Here, $\mathcal{A}_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ from $s_{i}$ to $r_{j}$ and $\mathcal{A}_{r_{j}\rightarrow D}^{\text{RDR}}$ from $r_{j}$ to $D$ are fixed. For each individual source, there are multiple outgoing flows (multiple beams) toward relays, as formulated in (9) where $B_{s_{i}}$ stands for the number of antenna-beams at source $i,\forall i\in\\{1,\cdots,|\mathcal{S}|\\}$. Similarly, each relay can form multiple beams in receiving mode, thus the number of incoming flows from sources can be $B_{r_{j}}$ as formulated in (8) where it means the number of antenna-beams at relay $j,\forall j\in\\{1,\cdots,|\mathcal{R}|\\}$. In (7), for each relay, the summation of incoming rates from sources cannot exceed the data rate between the relay and $D$. Finally, (6) describes the objective of finding the pairs between sources and relays as well as finding the corresponding data rates for maximizing the total video quality and the data rate value becomes $1/2$ due to the half-duplex constraint. ###### Theorem 1. The formulation in Section IV is non-convex. ###### Proof. This proof considers the setting of one-source and one-relay. Then the objective function becomes $\displaystyle f\left(a_{s_{i}\rightarrow r_{j}}^{\text{SRR}},x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\right)$ $\displaystyle\triangleq$ $\displaystyle f_{q}\left(a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\right)x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ (13) $\displaystyle=$ $\displaystyle\mathcal{K}\log_{\beta}\left(a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}+1\right)x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ (14) where $\mathcal{K}=\frac{1}{\log_{\beta}(a_{\text{max}}+1)}$ is constant and $x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ is relaxed, i.e., $0\leq x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\leq 1$. To show that this is non- convex, the second-order Hessian of this should not be positive definite [15]. The Hessian $\nabla^{2}f\left(a_{s_{i}\rightarrow r_{j}}^{\text{SRR}},x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\right)$ is: $\begin{bmatrix}0&\frac{\mathcal{K}/\ln\beta}{a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}+1}\\\ \frac{\mathcal{K}/\ln\beta}{a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}+1}&-x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\cdot\frac{\mathcal{K}/\ln\beta}{\left(a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}+1\right)^{2}}\end{bmatrix}$ (15) and then the corresponding two eigenvalues are $\frac{\mathcal{I}}{2}\pm\frac{1}{2}\sqrt{\mathcal{I}^{2}+\left(\frac{2\mathcal{K}/\ln\beta}{a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}+1}\right)^{2}}$ (16) where $\mathcal{I}=\frac{-\frac{\mathcal{K}}{\ln\beta}\cdot x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}}{\left(a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}+1\right)^{2}}$, $0\leq a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\leq 1.5$, $0\leq x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\leq 1$. These are not all positive, thus Hessian is not positive definite, which proves the formulation is non-convex. ∎ For non-convex MINLP, heuristic searches can find approximate solutions but cannot guarantee optimality [15]. With the following Theorem, our non-convex MINLP can be re-formulated as a convex program form. ###### Theorem 2. For the given formulation, (6)-(12), introducing $a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\leq\mathcal{A}_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\cdot x_{s_{i}\rightarrow r_{j}}^{\text{SRR}},\forall i,\forall j$ (17) instead of (11) makes the formulation convex. ###### Proof. For the non-convex MINLP formulation in Section IV, $x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}=0$ means the link is disconnected. Thus the corresponding rate becomes $0$ and (17) leads to the same result when $x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}=0$, i.e., $a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\leq\mathcal{A}_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\cdot 0=0,\forall i,\forall j.$ (18) Otherwise, if $x_{s_{i}\rightarrow r_{j}}^{\text{SRR}}=1$, then this term is equivalent to (11). Therefore, in turn, (6) is also updated as $\max\sum_{j=1}^{|\mathcal{R}|}\sum_{i=1}^{|\mathcal{S}|}f_{q}\left(\frac{1}{2}a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}\right)$ (19) and (7) and (10) are also updated as following (20) and (21): $\displaystyle\sum_{i=1}^{|\mathcal{S}|}a_{s_{i}\rightarrow r_{j}}^{\text{SRR}}$ $\displaystyle\leq$ $\displaystyle\mathcal{A}_{r_{j}\rightarrow D}^{\text{RDR}},\forall j.$ (20) $\displaystyle\underline{a}_{s_{i}}$ $\displaystyle\leq$ $\displaystyle\sum_{j=1}^{|\mathcal{R}|}a_{s_{i}\rightarrow r_{j}}^{\text{SRR}},\forall i,$ (21) Then now there are no non-convex terms in the program. ∎ Finally, our convex MINLP, which can guarantee optimal solutions, is as follows: (19) subject to (20), (8), (9), (17), (21), (12) where $\forall i\in\\{1,\cdots,|\mathcal{S}|\\},\forall j\in\\{1,\cdots,|\mathcal{R}|\\}$. ## V Performance Evaluation To verify the performance of our scheme, i.e., video quality maximization (named as VQM), we compare it with the following schemes: * • The joint video coding and relaying under the consideration of sum rate maximization (named as SRM). In this case, the proposed objective function (19) is: $\max\sum_{j=1}^{|\mathcal{R}|}\sum_{i=1}^{|\mathcal{S}|}\frac{1}{2}a_{s_{i}\rightarrow r_{j}}^{\text{SRC}}$ (22) due to the fact that the quality is no longer considered. * • The scheme in [10], which is an efficient algorithm that considers joint rate selection and routing (named as JRSR) in terms of sum-rate maximization with cooperative communication mode selection and no multiple-beams. For fair comparisons, we adapt the scheme to our outdoor-stadium architecture (one-tier relay) and allow only decode-and-forward relaying. TABLE I: Expectation of Achieved Normalized Aggregated Video Quality | Multiple-Beams at $s_{i}$ and $r_{j}$ ---|--- $|\mathcal{S}|$ | $|\mathcal{R}|$ | Setting | VQM | SRM | JRSR 5 | 10 | I | 4.166 | 3.873 | 3.331 5 | 10 | II | 4.934 | 4.647 | 4.165 5 | 10 | III | 4.681 | 4.397 | 3.632 10 | 5 | I | 4.164 | 3.871 | 3.352 10 | 5 | II | 4.954 | 4.620 | 4.182 10 | 5 | III | 4.664 | 4.371 | 3.650 10 | 10 | I | 8.813 | 8.451 | 5.483 10 | 10 | II | 9.817 | 9.452 | 6.336 10 | 10 | III | 9.312 | 8.958 | 5.795 10 | 15 | I | 8.883 | 8.574 | 5.633 10 | 15 | II | 9.872 | 9.563 | 6.456 10 | 15 | III | 9.383 | 9.074 | 5.927 15 | 10 | I | 13.420 | 11.765 | 6.483 15 | 10 | II | 14.902 | 13.255 | 7.376 15 | 10 | III | 14.403 | 12.755 | 6.839 For the setting, the cameras are uniformly distributed on top of the stadium. Between stadium and broadcasting center, multiple relays are uniformly deployed along a line. To vary the settings, we consider this line to be near the cameras (Setting I), in the middle between cameras and broadcasting center (Setting II), and near the center (Setting III). As our performance measure, we consider the cumulative probability distribution (cdf) of the aggregate video quality. The cdf is obtained as follows: we consider multiple realizations of the deployment of sources and relays, i.e., the random deployment of relays with Setting I, Setting II, and Setting III. For each such realization, we optimize coding rates and relay selection; thus each run gives us one realization of the aggregate video quality. We finally plot the cdf of this quality. For the simulation of VQM, the lower bounds ($\underline{a}_{s_{i}}$, $\forall i\in\\{1,\cdots,|\mathcal{S}|\\}$) of each source are set as $0.75$ Gbit/s ($50\%$ of $1.5$ Gbit/s). More detailed scenarios and simulation results can be found in [4]. ### V-A CDF of Aggregate Video Quality Figure 3: Impact of Various Lower Bound Setting: $|\mathcal{S}|=10,|\mathcal{R}|=15$ (a) Setting I (b) Setting II (c) Setting III Figure 4: Simulation Results: Number of Sources ($|\mathcal{S}|=5,10,15$) and Fixed Number of Relays ($|\mathcal{R}|=10$) Fig. 4 plots the cases that the number of sources is smaller, equal, or larger than the number of relays (i.e., $|\mathcal{S}|=5,10,15$, and $|\mathcal{R}|=10$). The mean achieved normalized aggregated video qualities are in Table I. In Table I, the video quality values from each source are normalized as $1$ for performance evaluation. Thus, if we have $N$ cameras in the system, the maximum achievable aggregated video quality is $N$. As shown in this result, the performance of JRSR is worse than that of both SRM and VQM. The latter (i.e., JRSR), by design, does not allow the exploitation of the multiple-beam antennas at relays, and thus shows worse performance. The performance gains of SRM are more pronounced than JRSR in Settings I and III, i.e., when the relays are close to either the sources or the destination. More importantly, we find that the relative performance advantage drastically increases as the number of sources increases relative to the number of relays. This is not surprising, as for these situations the ability of the sources to split their streams and flexibly route them via the relays becomes more important. We also see that SRM shows lower performance than VQM due to the fact that SRM aims to the maximization of sum data rates, while VQM aims to maximize the overall delivered video quality. The relative advantage of VQM also increases as the number of sources increases. Again, this is not surprising, as the bandwidth limitations become more stringent as the number of sources increases. ### V-B Impact of Lower Bound Setting In previous simulation, the lower bounds for the data rate per data stream are set as $0.75$ Gbit/s. Here, we vary this value from $0$ Gbit/s (no lower bound) to $1.5$ Gbit/s (allowing only uncompressed video) in steps of $0.1$ Gbit/s. As a performance quality measure, we define “stream outage” (i.e., the probability that at least one stream does not have the minimum required quality). As shown in Fig. 3, Setting III suffers significantly from the higher required per-stream quality. With Setting III, the data rates between sources and relays are lower than the others. Thus, when we set the lower bound quite high, all flows are disconnected. Thus, it achieves the lowest performance. On the other hand, in Setting I, all flows between sources and relays have enough capacity to support uncompressed video transmission, thus, a higher setting for minimum quality does not have a strong impact. Fig. 3 also shows that VQM has better performance than SRM for all settings. ## VI Conclusion This paper suggests and discusses quality-aware coding and routing for 60 GHz multi-Gbit/s real-time video streaming in an outdoor broadcasting system. In the system, there are multiple wireless video cameras distributed throughout the stadium. We presented an optimization framework for finding the combination of wireless link pairs between wireless cameras and relays that can maximize the overall or per-flow qualities of delivered video to a broadcasting center. An initial non-convex MINLP is re-formulated as a convex program, which allows optimum solutions. Simulations show that this methodology outperforms other methods that do not take the peculiarities of millimeter-wave video links into account. ## References * [1] IEEE 802.15.3c Millimeter-wave-based Alternative Physical Layer Extension, October 2009. * [2] IEEE 802.11ad VHT Specification Version 1.0, December 2012. * [3] J. Kim, Y. Tian, A.F. Molisch, and S. Mangold, “Joint Optimization of HD Video Coding Rates and Unicast Flow Control for IEEE 802.11ad Relaying,” in Proc. IEEE PIMRC, 2011. * [4] J. Kim, Y. Tian, S. Mangold, and A.F. Molisch, “Joint Scalable Coding and Routing for 60 GHz Real-Time Live HD Video Streaming Applications,” Submitted to IEEE Trans. on Broadcasting., Available on Request. * [5] E. Yılmaz, R. Zakhour, D. Gesbert, and R. Knopp, “Multi-pair Two-way Relay Channel with Multiple Antenna Relay Station,” in Proc. IEEE ICC, 2010. * [6] J. Liu, N.B. Shroff, and H.D. Sherali, “Optimal Power Allocation in Multi-Relay MIMO Cooperative Networks: Theory and Algorithms,” JSAC, 30(2):331-340, Feb. 2012. * [7] M.-H. Lu, P. Steenkiste, and T. Chen, “Time-Aware Opportunistic Relay for Video Streaming over WLANs,” in Proc. IEEE ICME, 2007. * [8] S. Mao, X. Cheng, Y.T. Hou, H.D. Sherali, and J. Reed, “On Joint Routing and Server Selection for MD Video Streaming in Ad Hoc Networks,” IEEE Trans. Wireless Comm., 6(1):338-347, Jan. 2007. * [9] W. Wei and A. Zakhor, “Interference Aware Multipath Selection for Video Streaming in Wireless Ad Hoc Networks,” IEEE Trans. CSVT, 19(2):165-178, Feb. 2009. * [10] S. Sharma, et. al., “Joint Flow Routing and Relay Node Assignment in Cooperative Multi-Hop Networks,” JSAC, 30(2):254-262, Feb. 2012. * [11] D. Giustiniano, V. Vukadinovic, and S. Mangold, “Wireless Networking for Automated Live Video Broadcasting: System Architecture and Research Challenges,” in Proc. IEEE WoWMoM, 2011. * [12] A.F. Molisch, Wireless Communications, 2nd Ed., IEEE, Feb. 2011. * [13] Comotech Corporation; http://www.comotech.com/en/index.html * [14] P. Smulders, “Exploiting the 60 GHz Band for Local Wireless Multimedia Access: Prospects and Future Directions,” IEEE Communications Magazine, 40(1):140-147, Jan. 2002. * [15] S. Boyd and L. Vandenberghe, Convex Optimization, Cambridge University Press, 2004.
arxiv-papers
2013-04-19T05:49:49
2024-09-04T02:49:44.604667
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Joongheon Kim, Yafei Tian, Stefan Mangold, Andreas F. Molisch", "submitter": "Joongheon Kim", "url": "https://arxiv.org/abs/1304.5315" }
1304.5480
December 20, 2013 LA-UR-13-22745 arXiv:1304.5480 # A Mesonic Analog of the Deuteron T. Goldman [email protected] Theoretical Division, MS-B283, Los Alamos National Laboratory, Los Alamos, NM 87545 and Dept. of Physics and Astronomy, University of New Mexico, Albuquerque, NM 87501 Richard R. Silbar [email protected] Theoretical Division, MS-B283, Los Alamos National Laboratory, Los Alamos, NM 87545 ###### Abstract Using the LAMP model for nuclear quark structure, we calculate the binding energy and quark structure of a $B$ meson merging with a $D$ meson. The larger-than-nucleon masses of the two heavy quarks allow for a more reliable application of the Born-Oppenheimer-like approximation of the LAMP. With the absence of quark-level Pauli Exclusion Principle repulsive effects, the appearance of a bound state is unsurprising. Our variational calculation shows that the molecular, deuteron-like state structure changes rather abruptly, as the separation between the two mesons decreases, at a separation of about 0.45 fm, into a four-quark bound state, although one maintaining an internal structure rather than that of a four-quark bag. Unlike the deuteron, pion exchange does not provide any contribution to the $\approx 150$ MeV binding. Keywords: heavy meson, four-quark, relativistic, variational, pion-less ## I Introduction What would nuclear physics look like without pion exchange? The long range of the nuclear force due to pion exchange between nucleons, along with the empirical short distance repulsion between nucleons, supports the established view of nuclear physics as due to the interaction of effective degrees of freedom that bear a very close resemblance to free space nucleons. Calculations of nuclear structure for small nuclei, using potential interactions fit to scattering data, succeed quite accurately.Carlson Effective field theory expansions, with or without pions, claim successes Bira as well. For large nuclei, elaborations of the shell model can also reproduce experimentally known results. However, all of these approaches ignore the internal structure of the three- quark states that are on-shell nucleons in free space but not so well defined off-shell degrees of freedom in the nucleus. In particular, the basis for off- shell nucleon form factors resembling those of on-shell nucleons is weak, and conflicts with the experimental results of deep inelastic scattering (DIS) on nuclei. Those results are not well represented by multiplying the results of DIS on free space nucleons by the number of nucleons in the target nucleus. This is known as the “EMC effect”.EMC The relativistic Los Alamos Model Potential GMSS ; GBS (LAMP) has been used to describe the binding and structure of 3He and 4He, including a good description BG of the deep inelastic structure function of 3He. It was explicitly constructed to access the internal quark structure of the baryonic components of the nucleus without the presumption of a free space nucleon approximation. As such, except for the difficulties of carrying out calculations, it provides a less biased view (although not a systematic expansion) of the hadronic structure of nuclei than do the conventional models referred to above. The LAMP does not describe the deuteron at all due to the very large separation of the nucleons and the dominance of single-pion exchange contributions there.Friar The LAMP, lacking quark-exchange correlations, best encompasses medium and short-range meson exchanges (two-pion, $\rho$, etc.). It must therefore be supplemented with long-range single-pion-exchange contributions piqk for a better description of nuclear binding energies. However, in this model, we can ask: What would nuclear physics, and in particular, the deuteron, look like in the absence of long-range pion exchange interactions? If bound states exist, the constituents would be much closer together than in actual nuclei and disruption of the internal structure could be much more significant than suggested by the LAMP as applied to nucleons or the results of conventional nuclear physics. Could one still identify nucleonic effective degrees of freedom even when the multi-quark hadronic objects are in such close proximity that their average separation is less than their internal structure? This is to be contrasted with real nuclei where the mean separation between nucleons is quite close to twice their root-mean- square radii. In this paper, we make an initial address to this question by considering a simpler problem, the binding of two heavy mesons. Large mass quarks are used to mimic the large mass of the nucleon, but one light antiquark in each stands in for the diquark in the nucleons and so simplifies the calculations. Since no quark-exchange correlations are included, no ($t$-channel) quark-antiquark combinations with pion quantum numbers contribute any more significantly than higher mass mesons. However, the extension/size of the mesonic states is comparable to that of nucleons due to the spread of the light quark wavefunction. In fact, for this case, all “light” meson exchanges are prevented, and the interactions have solely to do with the structure of the light antiquark wave functions under the influence of the color confining force, represented here by a collective potential. This is somewhat analogous, in principle, to the nuclear shell model potential although significantly different in form to be consistent with known models of confinement. In particular, we examine here the structure of a four-quark system derived from $B^{-}=b\bar{u}$ and $D^{+}=c\bar{d}$ mesons for a bound state, or their neutral equivalents when the light antiquarks are exchanged between them. Because these mesons are considerably more massive than nucleons, localization energy is much reduced. This brings them into closer proximity than the nucleons in a deuteron, or indeed, even in a large nucleus. The larger-than- nucleon masses of the two heavy quarks also allow for a more reliable application of the Born-Oppenheimer-like approximation of the LAMP. Furthermore, the quark content chosen here does not involve any pairs of quarks with the same (internal) quantum numbers, so there are no (quark) Pauli exclusion effects such as those that contribute to the short-range repulsion between nucleons. Thus, this is a system in which one can expect greater accuracy of the LAMP and a significantly more deeply bound state than the deuteron. When this $B$-$D$ bound state is observed, the deviation from our predictions here will provide a very good measure of the center of mass motion and breathing mode collective excitations. These are difficult to remove in the LAMP due to its relativistic nature. Since the non-relativistic model analogous to the LAMP, the Quark Delocalization and Color Screening Model of Wang et al. fanwang , gives very similar results to the LAMP after removing such effects, we expect the corrections due to these effects to be small. Thus our predictions here should be reasonably accurate. There have been many different approaches, going back to the Cornell potential eichten , along lines comparable to the LAMP, to modelling quark-antiquark states using potentials. We note here a few recent references others . There have also been many papers devoted to the study of four-quark systems, with a view to identifying exotic states constructed of more than three quarks or one quark and one antiquark. See, for example, the references in the recent review of Brambilla et al. nora and some very early papers heller as well. Generally, however, these papers have focused on states more likely to appear in hadronic collisions, such as those with the quark content of $B$ and $\bar{B}$ or $D$ and $\bar{D}$ mesons and their excited state partners (for a recent example, see PB ), since strong production of heavy quarks proceeds in a pairwise fashion. (Some, such as Ref.(heller ), have also included consideration of the case studied here, albeit without the intricacies available in the LAMP). In general, the mixing of these states with the charmonium and bottomonium spectra, however, make for difficulties in extracting them unambiguously from experimental observations and may require the determination of exotic quantum numbers. No such problems occur in the case considered here, although the reduced probability of production must certainly be recognized. In any event, our interest is not in the prediction of exotic states, but in the elucidation of the origins of the nature of nuclear structure and thus a deeper understanding of it. ### I.1 Initial Concepts The LAMP treats the confining potential for quarks (and antiquarks) as a fixed scalar interaction in a Born-Oppenheimer-like picture, with the location of the potential minimum defining the system location. Quarks bound in a baryon or meson are treated as being bound within this potential rather than directly to each other. As such, there are immediate concerns about removing center-of- mass and breathing mode contributions to the evaluated state energy. This concern is ameliorated by comparing the energy of the interacting system of the two heavy mesons with the value at large (essentially infinite) separation. In this paper, in addition to the confining Lorentz scalar potential of the LAMP, we have included a Lorentz vector potential, as is required from the observed small spin-orbit interaction in the non-relativistic quark model.PGG In fact, the vector potential is also taken as linear, attractive, but without a Coulomb-like contribution, as discussed in Ref.(Convolve ). In the LAMP, the confining potentials for each hadron are distributed in an array and are truncated on the mid-planes between them. While complex in general, for the case of interest here – two heavy mesons – the structure is very similar to that of the hydrogen molecule in the Born-Oppenheimer approximation, except for the linear vs. inverse distance form of the potential. In this case, the large masses of the $c$ and $b$ quarks further enhance the credibility of the approximation – they may be taken in the conventional heavy quark limit HQET as the fixed origins of the confining potentials for the light anti-quarks that complete each meson. At large separation between the heavy quarks, confinement guarantees the isolation of the light quark wave functions from each other. However, as the two mesons approach within a distance less than a few times their root-mean- square radii, the truncation of the confining potential allows for tunneling of each light anti-quark wave function into the confinement region of the other heavy quark rather than the one to which the light anti-quark is initially bound. The concept behind this is that a quark can only be confined to nearest center of color attraction, as in string-flip models stringflip , for example. This spreading out, or delocalization, of the wave functions naturally reduces the localization energy and provides an initial source of binding between the two hadrons. ### I.2 Color magnetic and quantum number issues In nuclei and other systems, this basic consideration is complicated by additional elements: there are color 6 combinations of quarks and color- magnetic spin interactions of significance on the scale of the binding energy. Here again, the concerns raised by these considerations are considerably reduced – the color magnetic interactions between the heavy quarks are reduced by their large masses. The light quark color magnetic interactions with the heavy quarks are also reduced. Only the light-quark to light-quark color magnetic interaction remains comparable to that inferred in simple quark models of light-quark states. This energy is at most $\approx 50$ MeV as seen PDG in individual hadrons (nucleons, $\Delta$’s, light spin-0, and spin-1 mesons) where it depends on the color and spin-strong-isospin combinations determined by the constraints of statistics. Furthermore, here the presence of both color 6 and color 3 combinations, as well as spin-1 and spin-0 elements, make it clear that strong cancellations of these color magnetic effects to low levels are to be expected. Therefore, in this paper we will largely ignore these contributions, since our emphasis here is to determine whether the $B$ and $D$ form a four-quark bound state or a more molecular-like combination of two identifiable mesons. We also will neglect the very small electro-magnetic contributions. Because of these simplifications, in this paper we can also ignore the fact that there are two neutral states ($B^{-}D^{+}$ and $\bar{B^{0}}D^{0}$) that should exist and mix, splitting to form states of definite strong isospin (0 and 1) although both have $I_{3}=0$. They also allow us to ignore the detailed spin structures, ranging from $J=0$ to $J=2$, the last with all of the quark spins aligned. Also unlike the individual nucleon case, the $c$ and $b$ quarks may combine anti-symmetrically to form a color ${\bf{\bar{3}}}$ state or symmetrically to form a color 6. In the first case, the light anti-quarks must form a color 3 antisymmetrically, thus requiring the spin-isospin combination to be symmetric ($I=0$, $J=0$, or $I=1$, $J=1$) and in the latter, the opposite is true – a color ${\bf{\bar{6}}}$ and ($I=1$, $J=0$, or $I=0$, $J=1$). Again, these allowed spin-isospin combinations for the light quarks would only produce significant energy differences if the color magnetic interaction were larger than the overall binding due to delocalization. The color 6 combination of the heavy quarks would not be expected to produce any attraction, as indeed no such components appear in baryons, but the color ${\bf{\bar{3}}}$ combination would. Neither of these effects is included here as the channel to color neutralization by decomposition into two color-singlet mesons ($B$ and $D$) is almost open, so overall color confinement issues should not be significant. In any event, symmetrization and antisymmetrization between the $c$ and $b$ quarks is moot as they are distinguishable. We turn now to the detailed calculations of the light (anti)quark wave functions in the double well defined by the Born-Oppenheimer-fixed heavy quarks. ## II The Two-Well Wave Function Figure 1: Two-well linear potential. In this and all the following figures, distances, energies, and wave functions are dimensionless. For two wells separated by $2\delta$ at dimensionless positions ${\bf w}_{\pm}=\\{0,\;0,\;\pm\,\delta\\}$ along the $z$-axis (see Fig. 1), we define the wave function $\Psi_{L}({\bf r})=\psi({\bf r}_{-})+\epsilon\;\psi({\bf r}_{+}),\quad\text{ where }\quad{\bf r}_{\pm}={\bf r}+{\bf w}_{\pm}=\\{x,y,z\pm\delta\\}\ .$ (1) This represents, for example, a light $\bar{u}$-quark (which we assume to be massless) mostly moving and confined in the well at $r_{-}$ (the “right”) provided by the heavy $b$-quark. There may be some “leakage,” represented by $\epsilon$, into the “left” well at $r_{+}$, provided by the heavy $c$-quark. As mentioned above, we assume that the $b$ and $c$ quark masses are large enough to justify a Born-Oppenheimer approximation of this sort. There is a similar wave function $\Psi_{R}$ with $r_{-}$ and $r_{+}$ interchanged in Eq. (1) for a light $\bar{d}$-quark mostly confined to the well at $r_{+}$ with $\epsilon$-leakage into the well at $r_{-}$. We will determine variationally what the best values of the parameters $\delta$ and $\epsilon$ are that provide a four-quark or molecular-like binding that form a $b\,\bar{u}\;c\,\bar{d}$ system. The $b$ and $c$ are well separated compared with their Compton sizes. Since they have little, if any, wave function overlap and have distinct quantum numbers, anti-symmetrization issues are irrelevant. For the rest of the paper we will drop the subscripts $L$ and $R$ on $\Psi$, but it should be borne in mind when we finally compose the $b\,\bar{u}\;c\,\bar{d}$ four-quark state. In this paper we work as much as possible with dimensionless quantities (with $\hbar=c=1$). That is, $\delta$, ${\bf r}$, etc., are all dimensionless distances. The dimensionless potentials $V(r)$ and $S(r)$ given below in Eq. (4) are related to dimension-full potentials $\cal V$ and $\cal S$ by a factor of $\kappa^{2}$, which has dimensions of GeV/fm. For example, $\cal S$ would be defined as ${\cal S}({\sf r})=\kappa^{2}\;{\sf r}$, where ${\sf r}=r/\kappa$ has dimensions in fm. In GMSS GMSS , to cite one reference, $\kappa^{2}$ was chosen to be 0.9 GeV/fm, corresponding to $\kappa=2.21$ fm-1. In this paper we have used a larger value, $\kappa^{2}$ = 1.253 GeV/fm, or $\kappa=2.520$ fm-1, as found in our fitting of charmonia masses.Convolve We take the $\psi$’s in Eq. (1) to be dimensionless four-component Dirac wave functions for light massless $u$\- and $d$-quarks. They are solutions of $H_{D}\;\psi=[-i\mbox{\boldmath$\alpha$}\cdot{\bf\nabla}+V({\bf r})+\beta S({\bf r})]\;\psi=E\;\psi\ .$ (2) Here $V({\bf r})$ is the time component of a Lorentz four-vector and $S({\bf r})$ is a Lorentz scalar potential (both to be specified below). With the Pauli spinor $\chi$ assumed to be quantized along the $z$-direction with spin- projection $m_{s}$, the normalized four-component $s$-wave Dirac wave function $\psi({\bf r})$ is $\psi_{m_{s}}({\bf r})=\frac{1}{\sqrt{4\pi}}\left(\begin{array}[]{c}\psi_{a}(r)\;\chi_{m_{s}}\\\ i\mbox{\boldmath$\sigma$}\cdot{\bf r}\;\psi_{b}(r)\;\chi_{m_{s}}\end{array}\right)\ .$ (3) The upper and lower radial wave functions $\psi_{a}(r)$ and $\psi_{b}(r)$ can be chosen real. We have calculated them by solving the coupled radial Dirac equations EJP for (dimensionless) linear Lorentz vector and scalar potentials of the form $V(r)=r-R\quad\text{ and }\quad S(r)=r\ .$ (4) Here $-R\,$ is a negative displacement pushing the vector potential $V(r)$ down below the scalar potential $S(r)$, so that confinement trumps Klein- Gordon pair creation.PGG Figure 2: Normalized massless quark $1s$ wave functions $\psi_{a}(r)$ (above the axis) and $r\psi_{b}(r)$ (below). The curves in Fig. 2 show the calculated (dimensionless) $1S$ wave functions $\psi_{a}(r)$ and $r\psi_{b}(r)$ when the potentials have $R=1.92$, $\kappa^{2}=1.253$ GeV/fm. Physical dimensions can be obtained by dividing the dimensionless $r$, $R$, etc., by $\kappa=2.52$ fm-1. The ground state eigenenergy resulting from this calculation is 0.375 GeV. These potentials provide a reasonable fit to the $c\,\bar{c}$ spectrum.Convolve ## III Expanding $\left<H^{\ 2}_{D}\right>$ The idea is that we will want to minimize the expectation value $\left<\,H^{2}_{D}\,\right>^{1/2}$ with respect to the parameters $\epsilon$ and $\delta$ to bound (approximately) the energy for the four-quark system consisting of $b$, $c$, $\bar{u}$, and $\bar{d}$. The square $\left<\,H^{\ 2}_{D}\,\right>$ is required for a variational bound as, due to negative energy states, $\left<\,H_{D}\,\right>$ itself is unbounded below. The Dirac Hamiltonian $H_{D}$ is displayed in Eq. (2) but now, for the two-well case (Fig. 1), the potentials are $V({\bf r})=\left\\{\begin{array}[]{ll}r_{-}-R,&\mbox{ if $z>0$}\\\ r_{+}-R,&\mbox{ if $z<0$}\end{array}\right.\qquad\mbox{ and }\qquad S({\bf r})=\left\\{\begin{array}[]{ll}r_{-},&\mbox{ if $z>0$}\\\ r_{+},&\mbox{ if $z<0$}\end{array}\right.\ .$ (5) As already mentioned, $-R\,$ is a negative offset so the vector potential lies below the scalar. The exact two-well energy $E$ is in principle found by solving for the eigenvalue of $H_{D}\;\Psi({\bf r})=E\;\Psi({\bf r})\ ,$ (6) with $\Psi$ given in Eq. (1). This being difficult, we instead chose to find an approximate value of the four-quark energy $E$ by the above-mentioned minimization of $\left<H^{2}_{D}\right>^{1/2}$. After some algebra one finds $\displaystyle H^{2}_{D}$ $\displaystyle=$ $\displaystyle-\nabla^{2}+V^{2}({\bf r})+S^{2}({\bf r})+2\beta\,V({\bf r})\,S({\bf r})$ (7) $\displaystyle\quad-i\mbox{\boldmath$\alpha$}\cdot\left[\left({\bf\nabla}V({\bf r})\right)+\beta\left({\bf\nabla}S({\bf r})\right)\right]-2i\,V({\bf r})\;\mbox{\boldmath$\alpha$}\cdot{\bf\nabla}\ .$ The lack of a term like $-2i\,S({\bf r})\;\mbox{\boldmath$\alpha$}\cdot{\bf\nabla}$ is because of a cancellation (the Dirac operators $\alpha$ and $\beta$ anti-commute). The first four terms of $H^{2}_{D}$ are “diagonal” (generically, ${\cal O}_{D}$) in that they connect $\psi_{a}$ to $\psi_{a}$ and $\psi_{b}$ to $\psi_{b}$, while the last two terms are “off-diagonal” (${\cal O}_{OD}$) connecting $\psi_{a}$ to $\psi_{b}$. An Appendix describes, in detail, how we calculate the expectation values of the terms in Eq. (7). For brevity, we now present the numerical results of these calculations for $H_{D}^{\ \ 2}$ and its components. Figure 3: Plot of all the diagonal contributions to $<H_{D}^{\ \ 2}(\epsilon,\delta)>$. ## IV Plotting $<H_{D}^{\ \ 2}>$ to find a minimum energy We combine all the expectation integrals discussed in the Appendix together to get an analytic expression for $<H_{D}^{\ \ 2}>$, which we can plot to look for a minimum squared energy. First, we define the (unnormalized) contribution, as a function of $\epsilon$ and $\delta$, from the diagonal pieces, $\displaystyle<H_{D,\;{\rm diag}}^{\ \ 2}(\epsilon,\delta)>$ $\displaystyle=$ $\displaystyle\sum_{i,j}a_{i}\,a_{j}\,\left[\,(1+\epsilon^{2})\,\left(I_{<\nabla^{2}>}^{(0)}+4\,I_{ij,<r_{\pm}^{2}>}^{(0)}-4\,R\,I_{ij,<r_{\pm}>}^{(0)}+R^{2}\,I_{ij,<1>}^{(0)}\right)\right.$ (8) $\displaystyle\left.\qquad\qquad\qquad+\,\epsilon\,\left(I_{ij,<\nabla^{2}>}^{(1)}+4\,I_{ij,<r_{\pm}^{2}>}^{(1)}-4\,R\,I_{ij,<r_{\pm}>}^{(1)}+R^{2}\,I_{ij,<1>}^{(1)}\right)\,\right]$ $\displaystyle\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!\\!+\sum_{i,j}b_{i}\,b_{j}\,\left[\,(1+\epsilon^{2})\,\left(J_{ij,<\nabla^{2}>}^{(0)}+R^{2}\,J_{ij,<1>}^{(0)}\right)+\,\epsilon\,\left(J_{ij,<\nabla^{2}>}^{(1)}+R^{2}\,J_{ij,<1>}^{(1)}\right)\,\right]\ ,$ using the expressions for the integrals $I$ and $J$ given in the Appendix. Figure 3 displays a three-dimensional plot of the normalized $<H_{D,\;{\rm diag}}^{\ \ 2}(\epsilon,\delta)>/N^{2}(\epsilon,\delta)$, where $N^{2}(\epsilon,\delta)$ is also discussed and displayed in the Appendix. It shows a relatively shallow minimum at $\epsilon=1$ and $\delta\approx 0.8$. Note the large value, a dimensionless squared-energy of $\approx 4$, which must be largely cancelled by the off-diagonal contributions to achieve a squared-energy similar to that for the one-well case, $E^{2}=0.5685$. The off-diagonal (unnormalized) contributions are $\displaystyle<H_{D,\;{\rm off-diag}}^{\ \ 2}(\epsilon,\delta)>$ $\displaystyle=$ $\displaystyle\sum_{i,j}a_{i}\,b_{j}\,\left[\,(1+\epsilon^{2})\,\left(K_{ij,<\nabla VS>}^{(0)}+K_{ij,<V\nabla>}^{(0)}\right)\right.$ (9) $\displaystyle\left.\qquad\qquad\qquad+\;\epsilon\,\left(K_{ij,<\nabla VS>}^{(1)}+K_{ij,<V\nabla>}^{(1)}\right)\,\right]\ ,$ with integrals $K$ also from the Appendix. Figure 4: Plot of all the off-diagonal contributions to $<H_{D}^{\ \ 2}(\epsilon,\delta)>$. Figure 4 gives the three-dimensional plot of $<H_{D,\;{\rm off-diag}}^{\ \ 2}(\epsilon,\delta)>/N^{2}(\epsilon,\delta)$. In contrast with $<H_{D,\;{\rm diag}}^{\ \ 2}>/N^{2}$, it has a repulsive hump around $\delta\approx 1$ as well as a shallow valley running from $\epsilon=0$ to 1 for $\delta\approx 0.2$. In the final sum of diagonal and off-diagonal contributions that hump will fill in the minimum seen in Fig. 3. Thus we finally combine the two contributions, defining a normalized $<H_{D}^{\ \ 2}(\epsilon,\delta)>=\left[<H_{D,\;{\rm off-diag}}^{\ \ 2}(\epsilon,\delta)>+<H_{D,\;{\rm off-diag}}^{\ \ 2}(\epsilon,\delta)>\right]/N^{2}(\epsilon,\delta)\ .$ (10) Figure 5: Plot of the final $<H_{D}^{\ \ 2}(\epsilon,\delta)>$. Figure 5 plots how $H_{D}^{\ \ 2}$, as a function of $\epsilon$ and $\delta$, develops a long, flat valley for all values of $\epsilon$ at a separation of $\delta\approx 0.2$ (i.e., recalling the value of $\kappa$, a separation of $\approx 0.45$ fm). Also important is the hump (reminiscent of a fission barrier) around $\delta\approx 0.9$ that will help to confine this four-quark system at $\delta\approx 0.2$. This hump corresponds to a repulsion between two $Q-\bar{q}$ asymptotic meson states preventing the light quarks from delocalizing. There is very little, if any, barrier to coalescence at $\epsilon$ = 0. Figure 6: $H_{D}^{\ \ 2}(\epsilon=1,\delta)$, with a valley at $\delta=0.18$ and a “fission barrier” at $\delta\approx 0.9$. It is easier to see this behavior with a two-dimensional plot, Fig. 6, showing $H_{D}^{\ \ 2}$ as a function of $\delta$ at $\epsilon=1$, where the valley is deepest and the hump is highest. Figure 7: Plot of how the nearly flat valley at $\delta=0.18$ decreases from $\epsilon=0$ to $\epsilon=1$ . The dimensionless squared-energy valley-depth at $\epsilon=1.0$ and $\delta=0.18$, $\Delta H_{D}^{\ \ 2}=0.097$, corresponds to a binding energy of 155 MeV for this $b\,c\,\bar{u}\,\bar{d}$ four-quark mesonic state. The valley is surprisingly flat, as shown in Fig. 7, dropping only 0.0023 squared dimensionless energy units from $\epsilon=0$ to $\epsilon=1$. This corresponds to an energy drop of about 24 MeV, a rather small energy difference. This suggests that Zitterbewegung may play an important role in the nature of this meson. ## V Discussion Figure 8 is a contour plot of the binding energy of the state in the $\epsilon$-$\delta$ plane. It displays two remarkable features: The first is that, at very small $\epsilon$, appropriate to the approach towards each other of the two asymptotic ($B$ and $D$) mesons, there is no evidence of a repulsive barrier to the fusion of those mesons. The second is that the valley of attraction at small meson separation is very flat between small $\epsilon$ ($\sim 0.2$) and $\epsilon=1$. This indicates that there is little energy associated with fluctuations in the $\epsilon$ collective variable of the light quarks in the state. There may be a more significant amount associated with the $\delta$ collective variable, but this effect is suppressed by the large masses associated with the Born-Oppenheimer centers defined by the heavy quarks, at least when viewed non-relativistically as seems appropriate for them, due to their relatively large masses. We therefore expect little correction to our estimates of the mass of the four-quark state due to collective variable effects. Figure 8: Contour plot of $H_{D}^{\ \ 2}(\epsilon,\delta)$. The dashed curve illustrates how two well-separated $Q-\bar{q}$ mesons at $\epsilon=0$ and large $\delta$ come together and slide down the valley at $\delta\approx 0.2$ to form a four-quark state at $\epsilon=1$. The dashed curve in Figure 8 illustrates how two well-separated $B$ and $D$ mesons at $\epsilon=0$ and large $\delta$ would come together to $\delta\approx 0.2$ and $\epsilon\approx 0.2$, corresponding to a heavy quark separation of about $0.45$ fm. As we have emphasized above, this small separation makes it clear that long-range pion-exchange effects do not contribute significantly. From $\epsilon\approx 0.2$, the four-quark state then slides gently down the nearly flat valley to $\epsilon=1$ where it is most bound. Such a state is prevented from falling apart because of the “fission barrier” around $\delta\approx 0.9$. We have ignored the possible color magnetic contributions from the interaction of the two light antiquarks, but this must be less than 50 MeV and we expect it to be even less than half this value. These corrections, which we will deal with in a future publication, are not large compared to the extracted variational upper bound on the binding energy of order 150 MeV found in our calculations. Thus, by comparing our binding energy with the threshold for $B$ and $D$ mesons, we predict a set of states in the region of 7 GeV/$c^{2}$. Finally, we comment on the surprisingly small difference in binding energy between the “molecular” form of the bound state, ($\epsilon\approx 0.2$, as in nuclei GMSS )) and the four-quark limit ($\epsilon=1$). If this feature is widespread in such heavy quark systems, it could go far towards explaining why it has been so difficult to identify unambiguous four-quark states. In any event, as our interest here is in nuclear physics, we note that the small separation compared to root-mean-square size of the meson states argues against the identification of the system as that of two slightly off-shell free space mesons, at least, at $\epsilon\sim 1$. However, the small difference in energy between that region and $\epsilon\sim 0.2$ suggests to the contrary, that since the binding energy is not large, at least some of the time, the system would appear to be one described as two slightly off-shell free space mesons, with substantial fluctuations between the two pictures. Difficult as it was historically, we conclude that nuclear physics would have been even more difficult to understand if it had similar properties. ## VI Acknowledgments This work was carried out in part under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. ## References * (1) Steven C. Pieper, R. B. Wiringa, and J. Carlson, Phys. Rev. C 70 (2004) 054325-1. * (2) See, e.g., U. van Kolck, Prog. Part. Nucl. Phys. 43 (1999) 337. * (3) European Muon Collaboration (J. Ashman et al.), Z.Phys.C57 (1993) 211 and earlier papers cited there. * (4) T. Goldman, K. R. Maltman, G. J. Stephenson, Jr., and K. E. Schmidt, Nucl. Phys. A481 (1988) 621. * (5) C. J. Benesh, T. Goldman, and G. J. Stephenson, Jr., Phys. Rev. C48 (1993) 1379 and Phys. Rev. C68 (2003) 045208. * (6) C. J. Benesh and T. Goldman, Phys. Rev. C55, (1997) 441. * (7) See for example, J. L. Friar, B. F. Gibson and G. 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Phys. 32 (2011) 217. ## Appendix A Calculational Details ### A.1 Approximating $\psi_{a}$ and $\psi_{b}$ as a sum of Gaussians For the calculations presented below, the $\psi_{a,b}$ have both been fitted to sums of Gaussians, $\psi_{a}(r)=\sum_{i}a_{i}\;e^{-\mu_{i}r^{2}/2},\quad\psi_{b}(r)=\sum_{i}b_{i}\;e^{-\mu_{i}r^{2}/2}\ ,$ (11) where the $a_{i}$, $b_{i}$, and $\mu_{i}$ are dimensionless numbers. We found it necessary to go to six terms, so that evaluating the upper and lower components of the left-hand-side of the Dirac equation [Eq. (2) in the main text] gives reasonable agreement with the right-hand-side. The fitted parameters are $\displaystyle\mu_{i}$ $\displaystyle=$ $\displaystyle\ {\;1.0,1.3,1.6,2.0,4.0,8.0}\;\\}$ $\displaystyle a_{i}$ $\displaystyle=$ $\displaystyle\\{\;0.492649,-0.687482,1.84609,-0.00246039,0.258295,0.0956581\;\\}$ (12) $\displaystyle b_{i}$ $\displaystyle=$ $\displaystyle\\{\;-0.0571296,1.03367,-1.18398,1.33989,0.162575,0.299479\;\\}\ .$ The fitted $\psi_{a}(r)$ and $r\psi_{b}(r)$ are shown as the dashed curves in Fig. 2, largely overlying the solid curves from the solution of the Dirac equation. To check the quality of the fits we have evaluated the single-quark expectation value of the Hamiltonian, $<\,H_{D}\,>=0.7545$, which is slightly larger than the (dimensionless) energy eigenvalue $E=0.7540$ (which, for a variational trial function, is as it should be). As a second check on our Gaussian fits of $\psi_{a}$ and $\psi_{b}$, Eqs. (11) and (4), we also evaluated the single-well expectation $<\,H_{D}^{2}\,>$ to be 0.5691, again slightly larger than $E^{2}=0.5685$, as it should be. ### A.2 General Remarks on calculating the expectations The reason for approximating our numerical radial wave functions $\psi_{a}$ and $\psi_{b}$ as sums of Gaussians is that it allows us to calculate the expectation values of each of the terms of $H_{D}^{2}$ analytically. Given an analytic expression for $H_{D}^{2}$ allows us to plot it quickly and precisely as a function of the variational parameters $\delta$ and $\epsilon$. To do these integrations, we have relied heavily on programs such as Mathematica and Maple. As will be seen, the final results can sometimes be messy and often involve error functions111See, e.g., M. Abramovitz and I. A. Stegun, Handbook of Mathematical Functions, (Dover, New York, 1965), Chap. 7 because of the Gaussians being integrated. For the diagonal operators of $H^{2}_{D}$ we will calculate the upper and lower contributions separately, $\left<\Psi|{\cal O}_{D}|{\Psi}\right>=\left<\Psi|{\cal O}_{D}|\Psi\right>_{A}+\left<\Psi|{\cal O}_{D}|\Psi\right>_{B}\ .$ (13) The $B$-expectations are more complicated than those for $A$ because of the factors of $-i\mbox{\boldmath$\sigma$}\cdot{\bf{r_{\pm}}}$ multiplying the radial $\psi_{b}$’s. However, for some diagonal operators, as will be seen below, the $B$-expectations are not always needed. In any case, from Eq. (11) we expand these diagonal operator expectations as $\left<\Psi|{\cal O}_{D}|\Psi\right>_{A}=\sum_{i,j}a_{i}\,a_{j}\;I_{ij}\ ,\qquad\left<\Psi|{\cal O}_{D}|\Psi\right>_{B}=\sum_{i,j}b_{i}\,b_{j}\;J_{ij}\ ,$ (14) where the $I_{ij}$ and $J_{ij}$ are integrals over Gaussians. First, we separate out the quadratic dependence on $\epsilon$ as $I_{ij}=I_{ij}^{(0)}+\epsilon\;I_{ij}^{(1)}+\epsilon^{2}\;I_{ij}^{(2)}=(1+\epsilon^{2})\;I_{ij}^{(0)}+\epsilon\;I_{ij}^{(1)}\ ,$ (15) and likewise for the lower-component $B$-integrals $J_{ij}$. The second equality here comes about because parity symmetry ensures that the $I_{ij}^{(2)}=I_{ij}^{(0)}$, etc. We will refer to the $I_{ij}^{(0)}$ as “direct terms,” in that they connect Gaussians with $\mu_{j}\,r_{-}^{2}/2$ to those with $\mu_{i}\,r_{-}^{2}/2$ (and similarly for $I_{ij}^{(2)}$ with $r_{+}$). Recalling the $1/4\pi$ from the normalization of the $\psi$’s, we ensure the symmetry under the interchange of indices $i$ and $j$ by writing $I_{ij}^{(0)}=\frac{1}{8\pi}\;\int d^{3}r\;\left\\{\;e^{-\mu_{i}\,r^{2}_{-}/2}\;{\cal O}_{D}\;e^{-\mu_{j}\,r^{2}_{-}/2}+e^{-\mu_{j}\,r^{2}_{-}/2}\;{\cal O}_{D}\;e^{-\mu_{i}\,r^{2}_{-}/2}\;\right\\}\ .$ (16) The direct integrals $J_{ij}^{(0)}$ have a similar form but with $\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-}\;{\cal O}_{D}\;\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-}$ in place of the ${\cal O}_{D}$. The “cross terms” $I_{ij}^{(1)}$ are more complicated integrals than the $I_{ij}^{(0)}$, and likewise for $J_{ij}^{(1)}$. They connect Gaussians with $\mu_{j}\,r_{-}^{2}/2$ to $\mu_{j}\,r_{+}^{2}/2$ and vice versa. Thus, on symmetrizing in $i$ and $j$, $\displaystyle I_{ij}^{(1)}$ $\displaystyle=$ $\displaystyle\frac{1}{8\pi}\;\int d^{3}r\;\left\\{\left[e^{-\mu_{i}\,r^{2}_{-}/2}\;{\cal O}_{D}\;e^{-\mu_{j}\,r^{2}_{+}/2}+e^{-\mu_{i}\,r^{2}_{+}/2}\;{\cal O}_{D}\;e^{-\mu_{j}\,r^{2}_{-}/2}+\right]\right.$ (17) $\displaystyle\left.\qquad\qquad+\;\left[e^{-\mu_{j}\,r^{2}_{-}/2}\;{\cal O}_{D}\;e^{-\mu_{i}\,r^{2}_{+}/2}+e^{-\mu_{j}\,r^{2}_{+}/2}\;{\cal O}_{D}\;e^{-\mu_{i}\,r^{2}_{-}/2}\right]\right\\}$ The $J_{ij}^{(1)}$ have a similar form but with ${\cal O}_{D}$ replaced by $\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-}\;{\cal O}_{D}\;\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+}\ $ or $\ \mbox{\boldmath$\sigma$}\cdot{\bf r}_{+}\;{\cal O}_{D}\;\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-}$, as appropriate. Each of the off-diagonal operators in Eq. (9) of the main text has the general form ${\cal O}_{OD}=-i\mbox{\boldmath$\alpha$}\cdot{\bf X}=\left[\begin{array}[]{cc}0&-i\;\mbox{\boldmath$\sigma$}\cdot{\bf X}_{12}\\\ -i\;\mbox{\boldmath$\sigma$}\cdot{\bf X}_{21}&\quad 0\end{array}\ \right]\ $ (18) where the ${\bf X}_{12}$ and ${\bf X}_{21}$ are vector-operators that may not be equal because of the possible presence of the diagonal $\beta$ matrix in ${\cal O}_{OD}$. The direct terms of the off-diagonal expectation $<{\cal O}_{OD}>$ involve several terms because the upper component of $\Psi^{\dagger}({\bf r}_{-})$ connects through $-i\;\mbox{\boldmath$\sigma$}\cdot{\bf X}_{12}$ to the lower component of $\Psi({\bf r}_{-})$ at the same time that the lower component of $\Psi^{\dagger}({\bf r}_{-})$ connects through $-i\;\mbox{\boldmath$\sigma$}\cdot{\bf X}_{21}$ to the upper component of $\Psi({\bf r}_{-})$. We therefore have to keep the sums over the $a$’s and $b$’s in Eq. (11) as parts of the integrand. Again symmetrizing in $i$ and $j$, $\displaystyle<{\cal O}_{OD}^{(0)}>$ $\displaystyle=$ $\displaystyle\frac{1}{8\pi}\;\sum_{i,j}\int d^{3}r\;\left\\{e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[-a_{i}b_{j}(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{12})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\right.\right.$ (19) $\displaystyle\qquad\qquad\qquad\qquad\qquad\left.+\;a_{j}b_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{21})\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}$ $\displaystyle\qquad\qquad\quad\left.+\;e^{-\mu_{j}\,r^{2}_{-}/2}\;\left[-a_{j}b_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{12})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\right.\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\left.\left.+\;a_{i}b_{j}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{21})\right]\;e^{-\mu_{i}\,r^{2}_{-}/2}\right\\}\ .$ The cross terms of $<{\cal O}_{OD}>$ have even more terms because the $\Psi^{\dagger}({\bf r}_{+})$ connects to $\Psi({\bf r}_{-})$ at the same time that $\Psi^{\dagger}({\bf r}_{-})$ connects to $\Psi({\bf r}_{+})$. It becomes $\displaystyle<{\cal O}_{OD}^{(1)}>$ $\displaystyle=$ $\displaystyle\frac{1}{8\pi}\;\sum_{i,j}\int d^{3}r\;\left\\{e^{-\mu_{i}\,r^{2}_{+}/2}\;\left[-a_{i}b_{j}(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{12})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\right.\right.$ (20) $\displaystyle\qquad\qquad\qquad\qquad\qquad\left.+\;a_{j}b_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{21})\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}$ $\displaystyle\qquad\qquad\quad\left.+\;e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[-a_{i}b_{j}(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{12})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})\right.\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\left.+\;a_{j}b_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{21})\right]\;e^{-\mu_{j}\,r^{2}_{+}/2}$ $\displaystyle\qquad\qquad\quad\left.+\;e^{-\mu_{j}\,r^{2}_{+}/2}\;\left[-a_{j}b_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{12})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\right.\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\left.+\;a_{i}b_{j}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{21})\right]\;e^{-\mu_{i}\,r^{2}_{-}/2}$ $\displaystyle\qquad\qquad\quad\left.+\;e^{-\mu_{j}\,r^{2}_{-}/2}\;\left[-a_{j}b_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{12})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})\right.\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\left.\left.+\;a_{i}b_{j}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf X}_{21})\right]\;e^{-\mu_{j}\,r^{2}_{+}/2}\right\\}\ .$ The integrations for the $I$’s, $J$’s, and in Eqs. (19) and (20) can best be done using (dimensionless) cylindrical coordinates, $\rho=\left({x^{2}+y^{2}}\right)^{1/2}$, $\theta$, and $z$. The $\theta$ integrations are trivial, providing a factor of $2\pi$, which will cancel with the $1/4\pi$ coming from the normalizations of the $\psi$’s in Eq. (3) to give an overall factor of $1/2$ before each double integral over $\rho$ and $z$. It usually is easier to do the $\rho$-integration (from 0 to $+\infty$) first. Because $V({\bf r})$ and $S({\bf r})$ depend on $r_{-}$ when $z>0$ and on $r_{+}$ when $z<0$, we need to do the $z$-integration separately for those regions, i.e., for $z$ from $-\infty$ to 0 and then for $z$ from 0 to $+\infty$. The separate results are then added and simplified to give the final integral. We will distinguish the results for the expectations of the different operators in Eq. (7) by an appropriate subscript. For example, for $O_{D}=\nabla^{2}$, we will write $I_{ij}^{(0,1)}$ as $I_{ij,\;<\nabla^{2}>}^{(0,1)}$, and similarly for the $J_{ij}$ integrals. ### A.3 Normalizing $\Psi$ While the Dirac $\psi$’s are themselves properly normalized, the two-well $\Psi$ is not. For this we need to calculate the expectation values of ${\cal O}_{D}=1$ to find $N^{2}(\delta,\epsilon)=\int d^{3}r\;\Psi^{\dagger}\Psi=\left<\Psi|1|\Psi\right>=\left<\Psi|1|\Psi\right>_{A}+\left<\Psi|1|\Psi\right>_{B}\ .$ (21) We make the expansion in $\epsilon$ as in Eq. (15) above. The direct-term integrals for the expectation $\left<\,1\,\right>$ are, noting that for the $J_{ij,\;<1>}^{(0)}$ we also have a factor of $(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})=r_{-}^{2}$ in the integrand, $\displaystyle I_{ij,\;<1>}^{(0)}$ $\displaystyle=$ $\displaystyle\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{3}}\right]^{1/2}$ (22) $\displaystyle J_{ij,\;<1>}^{(0)}$ $\displaystyle=$ $\displaystyle 3\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{5}}\right]^{1/2}\ ,$ (23) both independent of $\delta$. The cross-term integrals do depend on $\delta$. For the $J_{ij,\;<1>}^{(1)}$ we need the factor $(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})={\bf r}_{+}\cdot{\bf r}_{-}=\rho^{2}+z^{2}-\delta^{2}\ $ (24) in the integrand. Proceeding as in Sec. A.2, we find $\displaystyle I_{ij,\;<1>}^{(1)}$ $\displaystyle=$ $\displaystyle\left[\frac{2\pi}{(\mu_{i}+\mu_{j})^{3}}\right]^{1/2}\,e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\ ,$ (25) $\displaystyle J_{ij,\;<1>}^{(1)}$ $\displaystyle=$ $\displaystyle\left[\;3(\mu_{i}+\mu_{j})-4\;\mu_{i}\mu_{j}\;\delta^{2}\;\right]\;\left[\frac{2\pi}{(\mu_{i}+\mu_{j})^{7}}\right]^{1/2}\,e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\ .$ (26) Note that, when $\delta=0$, $I_{ij,\;<1>}^{(1)}=2\;I_{ij,\;<1>}^{(0)}$, and $J_{ij,\;<1>}^{(1)}=2\;J_{ij,\;<1>}^{(0)}$. This is a common feature for all the expectations here and below. This is necessary so that, for example, when $\delta=0$ and $\epsilon=1$, one recovers a result that is four times that when $\delta=0$ and $\epsilon=0$. Figure 9: Typical plots of $I$’s, $J$’s, and $K$’s as functions of $\delta$. The $y$-axes are in arbitrary units. We see from Eq. (25) that $I_{ij,\;<1>}^{(1)}$,as a function of $\delta$, is a decaying Gaussian (as in Fig. 9, plot A). On the other hand, $J_{ij,\;<1>}^{(1)}$ falls off from its peak at $\delta=0$, goes through zero, and has a mild minimum before decaying to zero at large $\delta^{2}$ (as in Fig. 9, plot B). Combining all terms, $\displaystyle N^{2}(\epsilon,\delta)$ $\displaystyle=$ $\displaystyle\sum_{i,j}a_{i}\,a_{j}\,\left[\,(1+\epsilon^{2})\,I_{<1>}^{(0)}+\epsilon\,I_{<1>}^{(1)}\,\right]+\sum_{i,j}b_{i}\,b_{j}\,\left[\,(1+\epsilon^{2})\,J_{<1>}^{(0)}+\epsilon\,J_{<1>}^{(1)}\,\right]$ (27) and the normalized $\Psi$ is obtained by multiplying Eq. (1) by ${1/N(\epsilon,\delta)}$. Figure 10: Three-dimensional plot of $N^{2}(\epsilon,\delta)$. Figure 10 shows a plot of $N^{2}(\epsilon,\delta)$ for the values of the $a$’s, $b$’s, and $\mu$’s that were fitted to the normalized $\psi_{a}$ and $\psi_{b}$, Eq. (A.1). We have checked that, for these values, $N^{2}(0,0)=0.9858\approx 1$ and $N^{2}(1,0)=3.9430\approx 4$, as they should but with some deviation ($\approx 2$%) coming from the inexactness of the fitting. The ratio of the two values is 4 to high accuracy. Figure 11: Plot of a normalized $\Psi_{a}(\rho,z)$ for $\epsilon=0.5$ and $\delta=1.0$. To illustrate what ”leakage” from one well to the other might look like, Fig. 11 shows a plot of the upper component of the normalized $\Psi$ as a function of $\rho$ (running from 0 to 2) and $z$ (running from -3.5 to +3.5) for $\epsilon=0.5$ and $\delta=1.1$. ### A.4 Evaluating the diagonal expectation $\left<\,-\nabla^{2}\,\right>$ First, note that, for ${\bf r}_{\pm}=\\{x,\,y,\,z\pm\delta\\}$, the $i$th component of the gradient $\nabla_{i}=\frac{\partial}{\partial x_{i}}=\nabla_{i}^{\prime}=\frac{\partial}{\partial x_{i}^{\prime}}\quad\mbox{for}\quad{\bf r}^{\prime}=\\{x^{\prime}=x,\,y^{\prime}=y,\,z^{\prime}=z\pm\delta\\}={\bf r}_{\pm}\,$ (28) since each $\partial x_{i}^{\prime}/\partial x_{i}=1$. Thus we can replace the result of the Laplacian with respect to $r$ acting on a function such as $\psi_{a}(r_{-})$ with that for a Laplacian with respect to $r_{-}$ acting on that function. For spherical coordinates, $-\nabla^{2}$ on the angle- independent $e^{-\mu_{j}\,r_{-}^{2}/2}$ then becomes $-\nabla^{2}\;e^{-\mu_{j}r_{-}^{2}/2}=-\nabla^{\prime\,2}\;e^{-\mu_{j}\,r_{-}^{2}/2}=-\frac{1}{r_{-}}\frac{d^{2}}{d\,r_{-}^{2}}\left(\;r_{-}e^{-\mu_{j}\,r_{-}^{2}/2}\;\right)=-\mu_{j}(\mu_{j}\,r_{-}^{2}-3)\;e^{-\mu_{j}\,r_{-}^{2}/2}\ ,$ (29) whence the three-dimensional integral reduces, after symmetrizing and cancelling factors of $4\pi$, to $I_{ij,\;<-\nabla^{2}>}^{(0)}=3\;\mu_{i}\mu_{j}\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{5}}\right]^{1/2},$ (30) independent of $\delta$. For the $B$-integrals things are more complicated because of the $\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-}$ factor to the right of the Laplacian. After some algebra, $-({\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-}}\nabla^{2}{\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-}})\,e^{-\mu_{j}r_{-}^{2}/2}=-r_{-}^{2}\;\mu_{j}\,(\mu_{j}r_{-}^{2}-5)\,e^{-\mu_{j}r_{-}^{2}/2}$ (31) whence $J_{ij,\;<-\nabla^{2}>}^{(0)}=\;15\;\mu_{i}\mu_{j}\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{7}}\right]^{1/2}\ ,$ (32) also independent of $\delta$. The cross terms, again, do depend on $\delta$. $I_{ij,\;<-\nabla^{2}>}^{(1)}=\mu_{i}\mu_{j}\,[\,3\,(\mu_{i}+\mu_{j})-4\mu_{i}\mu_{j}\,\delta^{2}\,]\left[\frac{2\pi}{(\mu_{i}+\mu_{j})^{7}}\right]^{1/2}\;e^{-2\mu_{i}\mu_{j}\,\delta^{2}/(\mu_{i}+\mu_{j})}\ .$ (33) This integral as a function of $\delta$ looks like Fig. 9B. For the corresponding $B$-cross term, one proceeds in the same manner but, instead of Eq. (31), we need222 Because we have separated the two wells along the $z$-direction, the cross product ${\bf r}_{+}\times{\bf r_{-}}$ only has $x$ and $y$ components. Since we have assumed the Pauli spinor $\chi_{m_{s}}$ to be polarized along the $z$-axis, the term from the product of two Pauli $\sigma$ matrices that gives a $i\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+}\times{\bf r_{-}}$ contribution vanishes. $-({\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+}}\nabla^{2}{\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-}})\,e^{-\mu_{j}r_{-}^{2}/2}=-(\rho^{2}+z^{2}-\delta^{2})\;\mu_{j}\,(\mu_{j}r_{-}^{2}-5)\,e^{-\mu_{j}r_{-}^{2}/2}\ .$ (34) We find $\displaystyle J_{ij,\;<-\nabla^{2}>}^{(1)}$ $\displaystyle=$ $\displaystyle\mu_{i}\mu_{j}\,[\,15\,(\mu_{i}+\mu_{j})^{2}-40\,\mu_{i}\mu_{j}(\mu_{i}+\mu_{j})\,\delta^{2}+16\,\mu_{i}^{2}\mu_{j}^{2}\;\delta^{4}\,]\times$ (35) $\displaystyle\qquad\left[\frac{2\pi}{(\mu_{i}+\mu_{j})^{11}}\right]^{1/2}e^{-2\mu_{i}\mu_{j}\,\delta^{2}/(\mu_{i}+\mu_{j})}\ .$ This integral as a function of $\delta$ also looks like Fig. 9B, but because it is quartic, it is slightly positive beyond $\delta=1.7$. ### A.5 Evaluating the expectation of $V^{2}+S^{2}+2\beta\,VS$ This is also a diagonal operator. The linear vector potential $V({\bf r})$ differs from the linear scalar potential $S({\bf r})$ by a negative offset $-\;R$. In $\left<V^{2}({\bf r})\right>$ the integrals of $\left<r_{\pm}^{2}\right>$ are the same as those for $\left<S^{2}({\bf r})\right>$. Here, $\left<r_{\pm}^{2}\right>$ means the integration of $r_{-}^{2}$ when $z>0$ and of $r_{+}^{2}$ when $z<0$. Thus we (schematically) expand the diagonal $V^{2}+S^{2}+2\beta\,VS$ as $\left<V^{2}+S^{2}+2\beta\,VS\right>=2\left<\;r_{\pm}^{2}\;\right>(1+\beta)-2\;R\left<\;r_{\pm}\;\right>(1+\beta)+\;R^{2}\left<\;1\;\right>\ .$ (36) The factor of $(1+\beta)$ ensures that only the upper components of $\Psi$ contribute to the first two expectation values. That is, we only need to calculate the $A$-integrals (the $I$’s) for those terms. The expectation value $\left<\,1\,\right>$ multiplying $R^{2}$ does have contributions from the lower components and their integrals $I_{<1>}^{(0)}$, $I_{<1>}^{(1)}$, $J_{<1>}^{(0)}$, and $J_{<1>}^{(1)}$ are given in Sec. A.3.. The integrals for the operators $\left<r_{\pm}^{2}\right>$ and $\left<r_{\pm}\right>$ are rather more complicated and their analytic forms are presented next. #### A.5.1 Expectation of ${\cal O}_{D}=r_{\pm}^{2}$ The direct integral for this operator is $\displaystyle I_{ij,\;<r_{\pm}^{2}>}^{(0)}$ $\displaystyle=$ $\displaystyle-\;\frac{2\delta}{(\mu_{i}+\mu_{j})^{2}}e^{-(\mu_{i}+\mu_{j})\;\delta^{2}/2}$ (37) $\displaystyle+\;\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{5}}\right]^{1/2}\\!\left[3+2(\mu_{i}+\mu_{j})\;\delta^{2}\;\text{Erfc}\left(\sqrt{\frac{(\mu_{i}+\mu_{j})}{2}}\;\delta\right)\right]\ .$ Note the linear dependence on $\delta$, which gives rise to a shallow minimum near the origin before the function returns to its initial value, as in Fig. 9C. The cross-term integral for $<r_{\pm}^{2}>$ is $\displaystyle I_{ij,\;<r_{\pm}^{2}>}^{(1)}$ $\displaystyle=$ $\displaystyle\;-\;\frac{4\delta}{(\mu_{i}+\mu_{j})^{2}}e^{-(\mu_{i}+\mu_{j})\;\delta^{2}/2}$ $\displaystyle\;+\;\left[\frac{2\pi}{(\mu_{i}+\mu_{j})^{7}}\right]^{1/2}e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\times$ $\displaystyle\quad\quad\left\\{3(\mu_{i}+\mu_{j})+2\;(\mu_{i}^{2}+\mu_{j}^{2})\;\delta^{2}-2\;(\mu_{i}^{2}-\mu_{j}^{2})\;\delta^{2}\;\text{Erf}\left(\frac{(\mu_{i}-\mu_{j})}{\sqrt{2(\mu_{i}+\mu_{j})}}\;\delta\right)\right\\},$ which also has odd terms in $\delta$. In this case, as a function of $\delta$, $I_{ij,\;<r_{\pm}^{2}>}^{(1)}$ falls off smoothly to zero from its peak value at $\delta=0$, as in Fig. 9D. $I_{ij,\;<r_{\pm}^{2}>}^{(1)}$ is symmetric in $i$ and $j$ because $\text{Erf}(-x)=-\text{Erf}(x)$, $I_{ij,\;<r_{\pm}^{2}>}^{(1)}=I_{ji,\;<r_{\pm}^{2}>}^{(1)}$. Also, as expected, $I_{<r_{\pm}^{2}>}^{(1)}=\;2\;I_{<r_{\pm}^{2}>}^{(0)}=3\left[\frac{2\pi}{(\mu_{i}+\mu_{j})^{5}}\right]^{1/2}\ $ (39) when $\delta=0$. #### A.5.2 Expectation of ${\cal O}_{D}=r_{\pm}$ The direct term for this operator is $\displaystyle I_{ij,\;<r_{\pm}>}^{(0)}$ $\displaystyle=$ $\displaystyle\;\frac{1}{2(\mu_{i}+\mu_{j})^{2}}\;[4+2\;e^{-2(\mu_{i}+\mu_{j})\;\delta^{2}}-3\;e^{-(\mu_{i}+\mu_{j})\;\delta^{2}/2}]$ $\displaystyle-\ \frac{1}{2\delta}\;\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{5}}\right]^{1/2}\times$ $\displaystyle\qquad\qquad\left\\{\;(\mu_{i}+\mu_{j})\,\delta^{2}-\ \left(1+4(\mu_{i}+\mu_{j})\;\delta^{2}\right)\;\text{Erf}\left(\sqrt{2\,(\mu_{i}+\mu_{j})}\ \delta\right)\right.$ $\displaystyle\left.\qquad\qquad\qquad\ +\ \left(1+3(\mu_{i}+\mu_{j})\;\delta^{2}\right)\;\text{Erf}\left(\sqrt{(\mu_{i}+\mu_{j})/2}\ \delta\,\right)\right\\}\ .$ This integral also has an odd term in $\delta$, like $I_{ij,\;<r_{\pm}^{2}>}^{(0)}$. As a function of $\delta$ it resembles that shown in Fig. 9C. That is, despite the $1/\delta$ factor in the last term, $I_{ij,\;<r_{\pm}>}^{(0)}$ is not singular at $\delta=0$ (i.e., when there is no separation between the two wells): $I_{ij,\;<r_{\pm}>}^{(0)}\rightarrow 2/(\mu_{i}+\mu_{j})^{2}$ as $\delta\rightarrow 0\ $. The cross term for $\left<r_{\pm}\right>$ is $\displaystyle I_{ij,\;<r_{\pm}>}^{(1)}$ $\displaystyle=$ $\displaystyle\;\frac{2}{(\mu_{i}+\mu_{j})^{2}}\ \left(e^{-2\mu_{i}\;\delta^{2}}+e^{-2\mu_{j}\;\delta^{2}}-e^{-\frac{1}{2}(\mu_{i}+\mu_{j})\;\delta^{2}}\right)$ (41) $\displaystyle+\ \frac{1}{2\,\delta\,\mu_{i}\mu_{j}}\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{5}}\right]^{1/2}\left\\{\left(\mu_{i}+\mu_{j}\right)^{2}\;\text{Erfc}\left(\sqrt{\frac{\mu_{i}+\mu_{j}}{2}}\,\delta\right)\right.$ $\displaystyle\quad\quad\left.-\;2\;\mu_{j}\left(\mu_{i}+\mu_{j}+4\,\mu_{i}^{2}\,\delta^{2}\right)\;e^{-\frac{2\delta^{2}\mu_{i}\mu_{j}}{\mu_{i}+\mu_{j}}}\;\text{Erfc}\left(\sqrt{\frac{2}{\mu_{i}+\mu_{j}}}\;\mu_{i}\,\delta\right)\right.$ $\displaystyle\quad\quad\left.+\;2\text{ }\mu_{i}\left(\mu_{i}+\mu_{j}+4\,\mu_{j}^{2}\,\delta^{2}\right)\;e^{-\frac{2\delta^{2}\mu_{i}\mu_{j}}{\mu_{i}+\mu_{j}}}\;\text{Erf}\left(\sqrt{\frac{2}{\mu_{i}+\mu_{j}}}\;\mu_{j}\,\delta\right)\right.$ $\displaystyle\quad\quad\left.-\;\left(\mu_{i}-\mu_{j}\right)\left(\mu_{i}+\mu_{j}-4\;\mu_{i}\mu_{j}\,\delta^{2}\right)e^{-\frac{2\delta^{2}\mu_{i}\mu_{j}}{\mu_{i}+\mu_{j}}}\;\text{Erfc}\left(\frac{\left(\mu_{i}-\mu_{j}\right)\,\delta}{\sqrt{2\,(\mu_{i}+\mu_{j})}}\right)\right\\}$ Note that $I_{ij,\;<r_{\pm}>}^{(1)}$ is also symmetric under the interchange of $i$ and $j$ and, again, at $\delta=0$, we have $I_{ij,\;<r_{\pm}>}^{(1)}=4/(\mu_{i}+\mu_{j})^{2}=2\;I_{ij,\;<r_{\pm}>}^{(0)}$. Its behavior as a function of $\delta$ is similar to that shown in Fig. 9D, again partly due to the presence of odd terms in $\delta$. ### A.6 The off-diagonal expectation of $-i\mbox{\boldmath$\alpha$}\cdot\left[\left({\bf\nabla}V({\bf r})\right)+\beta\left({\bf\nabla}S({\bf r})\right)\right]$ For the linear potentials of Eq. (5) ${\bf\nabla}V({\bf r})\;=\;{\bf\nabla}S({\bf r})=\left\\{\begin{array}[]{ll}{\bf\hat{r}_{-}}&\ \mbox{if $z>0$}\\\ {\bf\hat{r}_{+}}&\ \mbox{if $z<0$}\end{array}\right.\ $ (42) and we again have a simplification from the $(1+\beta)$, namely, $-i\mbox{\boldmath$\alpha$}\cdot\left[\left({\bf\nabla}V({\bf r})\right)+\beta\left({\bf\nabla}S({\bf r})\right)\right]=-i\mbox{\boldmath$\alpha$}\cdot{\bf\hat{r}_{\pm}}(1+\beta)=\left[\begin{array}[]{cc}0&\quad 0\\\ -2i\;\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}_{\pm}}&\quad 0\end{array}\ \right]\ ,$ (43) i.e., the operator ${\bf X}_{12}$ in Eq. (18) vanishes and ${\bf X}_{21}$ is doubled. The latter operator connects the upper component of $\Psi^{\dagger}$ to the lower component of $\Psi$. For the direct terms, Eq. (19) reduces to two terms $\displaystyle<[\nabla VS]^{(0)}>$ $\displaystyle=$ $\displaystyle-2\;\frac{1}{4\pi}\;\sum_{i,j}\int d^{3}r\;\left\\{e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[a_{j}b_{i}\,(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}}_{\pm})\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}\right.$ (44) $\displaystyle\qquad\qquad\quad\left.+\;e^{-\mu_{j}\,r^{2}_{-}/2}\;\left[a_{i}b_{j}\,(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}}_{\pm})\right]\;e^{-\mu_{i}\,r^{2}_{-}/2}\right\\}$ $\displaystyle=$ $\displaystyle\sum_{i,j}\left[a_{j}b_{i}\,K_{ij,\,<\nabla VS>}^{(0)}+a_{i}b_{j}\,K_{ji,\,<\nabla VS>}^{(0)}\right]\ ,$ where $K_{ij,<\nabla VS>}^{(0)}=-2\;\frac{1}{4\pi}\;\int d^{3}r\;e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[\,(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}}_{\pm})\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}\ .$ (45) The Pauli matrices here reduce to $(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\;(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}_{\pm}})=r_{-}\;({\bf\hat{r}_{-}}\cdot{\bf\hat{r}_{\pm}})\ .$ (46) For the integration over $z>0$ the integrand becomes simply $r_{-}$, which is the same as that already needed for getting to the final result for $I_{<r_{\pm}>}^{(0)}$ in subsection A.5.2 above. For the integration over negative $z$, however, Eq. (46) becomes $r_{-}\;({\bf\hat{r}_{-}}\cdot{\bf\hat{r}_{+}})={\bf r}_{-}\cdot{\bf r}_{+}/r_{+}=(\rho^{2}+z^{2}-\delta^{2})/\sqrt{\rho^{2}+(z+\delta)^{2}}\ ,$ (47) which involves a new integrand, but which nonetheless can still be done analytically. (Here it is much easier to do the $\rho$-integration first.) We find $\displaystyle\\!\\!\\!\\!\\!\\!K_{ij,<\nabla VS>}^{(0)}$ $\displaystyle=$ $\displaystyle-\ \frac{2}{(\mu_{i}+\mu_{j})^{2}}\left[2-e^{-(\mu_{i}+\mu_{j})\;\delta^{2}/2}\right]$ (48) $\displaystyle-\ \frac{1}{\delta}\,\left[\frac{2\pi}{(\mu_{i}+\mu_{j})^{5}}\right]^{1/2}\left[\text{Erf}\left(\sqrt{2(\mu_{i}+\mu_{j})}\;\delta\,\right)-\text{Erf}\left(\sqrt{(\mu_{i}+\mu_{j})/2}\;\delta\,\right)\right]\ .$ This result is, again, symmetric and non-singular with $K_{ij,<\nabla VS>}^{(0)}=-4/(\mu_{i}+\mu_{j})^{2}$ at $\delta=0$. In this case there are no odd terms (!) in $\delta$. Versus $\delta$ it is similar to that shown in Fig. 9C, but with the initial slope at the origin being zero. Because $K_{ij,<\nabla VS>}^{(0)}=K_{ji,<\nabla VS>}^{(0)}$, we can finally write the direct term contributions for this expectation as $<[\nabla VS]^{(0)}>\ =\sum_{i,j}\left(a_{j}b_{i}+a_{i}b_{j}\right)\;\,K_{ij,\,<\nabla VS>}^{(0)}\ ,$ (49) regaining explicit symmetry. The cross term integral $K_{<\nabla VS>}^{(1)}$ is more complicated but is done similarly. As ${\bf X}_{12}=0$, there are now four terms remaining from Eq. (20), $\displaystyle<[\nabla VS]^{(1)}>$ $\displaystyle=$ $\displaystyle-2\;\frac{1}{4\pi}\;\sum_{i,j}\int d^{3}r\;\left\\{e^{-\mu_{i}\,r^{2}_{+}/2}\;\left[a_{j}b_{i}\,(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}}_{\pm})\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}\right.$ (50) $\displaystyle\qquad\qquad\left.+\;e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[a_{j}b_{i}\,(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}}_{\pm})\right]\;e^{-\mu_{j}\,r^{2}_{+}/2}\right.$ $\displaystyle\qquad\qquad\left.+\;e^{-\mu_{j}\,r^{2}_{+}/2}\;\left[a_{i}b_{j}\,(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}}_{\pm})\right]\;e^{-\mu_{i}\,r^{2}_{-}/2}\right.$ $\displaystyle\qquad\qquad\left.+\;e^{-\mu_{j}\,r^{2}_{-}/2}\;\left[a_{i}b_{j}\,(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}}_{\pm})\right]\;e^{-\mu_{i}\,r^{2}_{+}/2}\right\\}$ $\displaystyle=$ $\displaystyle\sum_{i,j}\int d^{3}r\;\left[a_{j}b_{i}\;K_{ij,\,<\nabla VS>}^{(1)}+a_{i}b_{j}\;K_{ji,\,<\nabla VS>}^{(1)}\right]\ ,$ where $\displaystyle K_{ij,\,<\nabla VS>}^{(1)}$ $\displaystyle=$ $\displaystyle-2\;\frac{1}{4\pi}\;\int d^{3}r\;\left\\{e^{-\mu_{i}\,r^{2}_{+}/2}\;\left[\,(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}}_{\pm})\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}\right.$ (51) $\displaystyle\qquad\qquad\left.+\;e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[\,(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}}_{\pm})\right]\;e^{-\mu_{j}\,r^{2}_{+}/2}\,\right\\}$ In addition to Eq. (46) we also need $(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})\;(\mbox{\boldmath$\sigma$}\cdot{\bf\hat{r}_{\pm}})=r_{+}\;({\bf\hat{r}_{+}}\cdot{\bf\hat{r}_{\pm}})\ ,$ (52) which becomes $r_{+}$ for the $z<0$ integration and $(\rho^{2}+z^{2}-\delta^{2})/\sqrt{\rho^{2}+(z-\delta)^{2}}$ for the $z>0$ integration. The integrations over $z$ go much easier if one re-defines the integrations over $z$ in terms of $\mu=\mu_{i}+\mu_{j}$ and $\nu=\mu_{i}-\mu_{j}$. The resulting integrals in $\mu$ and $\nu$ can then be converted back to $\mu_{i}$ and $\mu_{j}$. We find $\displaystyle K_{ij,\,<\nabla VS>}^{(1)}$ $\displaystyle=$ $\displaystyle\ \frac{1}{\mu_{i}\mu_{j}(\mu_{i}+\mu_{j})^{2}}\;\left[\;2\,\mu_{j}\,(\mu_{j}-\mu_{i})\;e^{-2\mu_{i}\;\delta^{2}}+2\,\mu_{i}\,(\mu_{i}-\mu_{j})\;e^{-2\mu_{j}\;\delta^{2}}\right.$ $\displaystyle\left.\qquad\qquad\qquad\qquad\qquad-\;(\mu_{i}-\mu_{j})^{2}\;e^{-(\mu_{i}+\mu_{j})\;\delta^{2}/2}\;\right]$ $\displaystyle-\ \frac{1}{2\,\delta\;\mu_{i}^{2}\mu_{j}^{2}}\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{5}}\right]^{1/2}\times$ $\displaystyle\qquad\qquad\left\\{(\mu_{i}+\mu_{j})^{3}\,\left(\,\mu_{i}+\mu_{j}-2\mu_{i}\mu_{j}\;\delta^{2}\,\right)\right.\;\text{Erfc}\left(\sqrt{(\mu_{i}+\mu_{j})/2}\;\delta\,\right)$ $\displaystyle\qquad\qquad\quad+\ 2\,\mu_{i}^{2}\;\left[\;(\mu_{i}^{2}+4\mu_{i}\mu_{j}+3\mu_{j}^{2})-4\mu_{j}^{2}(\mu_{i}-\mu_{j})\;\delta^{2}\;\right]\ $ $\displaystyle\qquad\qquad\qquad\qquad\qquad\times\;e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\;\text{Erf}\left(\sqrt{2/(\mu_{i}+\mu_{j})}\;\mu_{j}\;\delta\,\right)$ $\displaystyle\qquad\qquad\quad-\ 2\,\mu_{j}^{2}\;\left[\;3\mu_{i}^{2}+4\mu_{i}\mu_{j}+\mu_{j}^{2}-4\mu_{i}^{2}(\mu_{j}-\mu_{i})\;\delta^{2}\;\right]\ $ $\displaystyle\qquad\qquad\qquad\qquad\qquad\times\;e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\;\text{Erfc}\left(\sqrt{2/(\mu_{i}+\mu_{j})}\;\mu_{i}\;\delta\,\right)$ $\displaystyle\qquad\qquad\quad-\ \left[\;(\mu_{i}^{3}+5\,\mu_{i}^{2}\mu_{j}+5\,\mu_{i}\mu_{j}^{2}+\mu_{j}^{3})-8\,\mu_{i}^{2}\mu_{j}^{2}\;\delta^{2}\;\right]\ $ $\displaystyle\qquad\qquad\qquad\quad\left.\times\,(\mu_{i}-\mu_{j})\,e^{-2\mu_{i}\mu_{j})\;\delta^{2}/(\mu_{i}+\mu_{j})}\;\text{Erfc}\left(\frac{(\mu_{i}-\mu_{j})\;\delta}{\sqrt{2(\mu_{i}+\mu_{j})}}\,\right)\right\\}\ ,$ which also is symmetric and goes to $-8/(\mu_{i}+\mu_{j})^{2}=2\,K_{ij,\,<\nabla VS>}^{(0)}$ at $\delta=0$. This integral does have some odd terms in $\delta$. As a function of $\delta$ it resembles a Gaussian, i.e., looks like that shown in Fig. 9A. Because $K_{ij,\,<\nabla VS>}^{(1)}=K_{ji,\,<\nabla VS>}^{(1)}$ we can again finally write $<[\nabla VS]^{(1)}>\ =\sum_{i,j}\left(a_{j}b_{i}+a_{i}b_{j}\right)\;\,K_{ij,\,<\nabla VS>}^{(1)}\ ,$ (54) mirroring the form of Eq. (49). ### A.7 The off-diagonal expectation $-2i\;V({\bf r})\;\mbox{\boldmath$\alpha$}\cdot\nabla$ For this off-diagonal operator ${\bf X}_{12}={\bf X}_{21}=-2\,V({\bf r})\,\nabla$ in Eq. (18) and the direct term expectation, Eq. (19), has all four terms $\displaystyle\\!\\!\\!\\!\\!\\!<[2\,V\nabla]^{(0)}>$ $\displaystyle=$ $\displaystyle\frac{1}{8\pi}\;\sum_{i,j}\int d^{3}r\,V({\bf r})\;\left\\{e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[\;2\,a_{i}b_{j}(\mbox{\boldmath$\sigma$}\cdot\nabla)(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\right.\right.$ (55) $\displaystyle\qquad\qquad\qquad\qquad\qquad\qquad\left.-\;2\,b_{i}a_{j}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot\nabla)\;\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}$ $\displaystyle\qquad\qquad\qquad\left.+\;e^{-\mu_{j}\,r^{2}_{-}/2}\;\left[\;2\,a_{j}b_{i}(\mbox{\boldmath$\sigma$}\cdot\nabla)(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\right.\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\qquad\left.\left.-\;2\,b_{j}a_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot\nabla)\;\right]\;e^{-\mu_{i}\,r^{2}_{-}/2}\right\\}\,.$ With $\nabla_{k}\;e^{-\mu_{i}\,r_{-}^{2}/2}=-\mu_{i}({\bf r}_{-})_{k}\;e^{-\mu_{i}\,r_{-}^{2}/2},\quad\nabla_{k}({\bf r}_{-})_{l}=\delta_{kl},\quad\text{ and }\quad(\mbox{\boldmath$\sigma$}\cdot\nabla)(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})=3\,$ (56) we have, for the first terms in the square brackets of Eq. (55), $\displaystyle(\mbox{\boldmath$\sigma$}\cdot\nabla)$ $\displaystyle\\!\\!\\!\\!\\!\\!\\!(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\;e^{-\mu_{i}\,r_{-}^{2}/2}=\;e^{-\mu_{i}\,r_{-}^{2}/2}\;(\mbox{\boldmath$\sigma$}\cdot\nabla)(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})+\mbox{\boldmath$\sigma$}\cdot\;[(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\nabla\;e^{-\mu_{i}\,r_{-}^{2}/2}]$ (57) $\displaystyle=$ $\displaystyle[3-\mu_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})]\;e^{-\mu_{i}\,r_{-}^{2}/2}=\,(3-\mu_{i}\,r_{-}^{2})\ e^{-\mu_{i}\,r_{-}^{2}/2}\ $ and similarly when acting on $e^{-\mu_{j}\,r_{-}^{2}/2}$. For the second terms in the square brackets of Eq. (55), $\displaystyle(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot\nabla)\;e^{-\mu_{i}\,r_{-}^{2}/2}$ $\displaystyle=$ $\displaystyle-\mu_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})\;e^{-\mu_{i}\,r_{-}^{2}/2}=-\mu_{i}r_{-}^{2}\;e^{-\mu_{i}\,r_{-}^{2}/2}\ $ (58) and, again, similarly when acting on $e^{-\mu_{j}\,r_{-}^{2}/2}$. With Eqs. (57) and (58), Eq. (55) reduces to $\displaystyle\\!\\!\\!\\!\\!\\!\\!<[2\,V\nabla]^{(0)}>$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\;\sum_{i,j}\int d^{3}r\;\left\\{e^{-\mu_{i}\,r^{2}_{-}/2}\;V(r_{\pm})\left[a_{i}b_{j}\;(3-\mu_{j}r_{-}^{2})\;+\;b_{i}a_{j}\;\mu_{j}r_{-}^{2}\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}\right.$ (59) $\displaystyle\qquad\qquad\left.+\;e^{-\mu_{j}\,r^{2}_{-}/2}\;V(r_{\pm})\left[a_{j}b_{i}\;(3-\mu_{i}r_{-}^{2})\;+\;b_{j}a_{i}\;\mu_{i}r_{-}^{2}\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}\right\\}$ $\displaystyle=$ $\displaystyle\sum_{i,j}\left\\{a_{i}b_{j}\;K_{ij,\,<2V\nabla>}^{(0)}+a_{j}b_{i}\;K_{ji,\,<2V\nabla>}^{(0)}\right\\}$ where, with $V(r_{\pm})=r_{\pm}-R,$ $\displaystyle K_{ij,\,<2V\nabla>}^{(0)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\;\int d^{3}r\;e^{-\mu_{i}\,r^{2}_{-}/2}\;(r_{\pm}-R)\;[(\mu_{i}-\mu_{j})\,r_{-}^{2}-3]\;e^{-\mu_{j}\,r_{-}^{2}/2}\ .$ (60) $\displaystyle=$ $\displaystyle(\mu_{i}-\mu_{j})\;K_{ij,\,a}^{(0)}-(\mu_{i}-\mu_{j})\;R\;K_{ij,\,b}^{(0)}+3\;K_{ij,\,c}^{(0)}-3\;R\;K_{ij,\,d}^{(0)}$ where these four integrals are $\displaystyle K_{ij,\,a}^{(0)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\;\int d^{3}r\;e^{-\mu_{i}\,r^{2}_{-}/2}\;r_{\pm}\,r_{-}^{2}\;e^{-\mu_{j}\,r_{-}^{2}/2}$ (61) $\displaystyle=$ $\displaystyle\ \frac{1}{2\,(\mu_{j}+\mu_{i})^{3}}\left[\;16+6\;e^{-2(\mu_{j}+\mu_{i})\;\delta^{2}}-11\;e^{-(\mu_{j}+\mu_{i})\;\delta^{2}/2}\;\right]$ $\displaystyle+\frac{1}{2\delta}\left[\frac{\pi}{2(\mu_{j}+\mu_{i})^{7}}\right]^{1/2}\left\\{\;[5+9(\mu_{j}+\mu_{i})\delta^{2}]\;\text{Erfc}\left(\sqrt{(\mu_{j}+\mu_{i})/2}\;\delta\right)\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\left.-\;[5+12(\mu_{j}+\mu_{i})\delta^{2}]\;\text{Erfc}\left(\sqrt{2(\mu_{j}+\mu_{i})}\;\delta\right)\right\\}\ ,$ $\displaystyle K_{ij,\,b}^{(0)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\;\int d^{3}r\;e^{-\mu_{i}\,r^{2}_{-}/2}\;r_{-}^{2}\;e^{-\mu_{j}\,r_{-}^{2}/2}=3\;\left[\frac{\pi}{2\,(\mu_{j}+\mu_{i})^{5}}\right]^{1/2}\ ,$ (62) $\displaystyle K_{ij,\,c}^{(0)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\;\int d^{3}r\;e^{-\mu_{i}\,r^{2}_{-}/2}\;r_{\pm}\;e^{-\mu_{j}\,r_{-}^{2}/2}\;=\;I_{ij,\;<r_{\pm}>}^{(0)}\ ,$ (63) $\displaystyle K_{ij,\,d}^{(0)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\;\int d^{3}r\;e^{-\mu_{i}\,r^{2}_{-}/2}\;e^{-\mu_{j}\,r_{-}^{2}/2}\;=\;I_{ij,\;<1>}^{(0)}\ .$ (64) $K_{ij,\,a}^{(0)}$ has an odd term in $\delta$ and its plot resembles that shown in Fig. 9D. All four of the above integrals are symmetric in $i$ and $j$, so we can finally write $<[2\,V\nabla]^{(0)}>\;=\;\sum_{i,j}\left(a_{j}b_{i}+a_{i}b_{j}\right)\;\,K_{ij,\,<2\,V\nabla>}^{(0)}=2\;\sum_{i,j}a_{j}b_{i}\;K_{ij,\,<2\,V\nabla>}^{(0)}\ .$ (65) For the cross term, from Eqs. (57) and (58) and the like, Eq. (20) becomes $\displaystyle<[2\,V\nabla]^{(1)}>\ =\ \frac{1}{8\pi}\;\sum_{i,j}\int d^{3}r\;V(r_{\pm})\ \times$ $\displaystyle\qquad\qquad\ \left\\{\;e^{-\mu_{i}\,r^{2}_{+}/2}\;\left[\;2\,a_{i}b_{j}(\mbox{\boldmath$\sigma$}\cdot\nabla)(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})-\;2\,b_{i}a_{j}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})(\mbox{\boldmath$\sigma$}\cdot\nabla)\;\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}\right.$ $\displaystyle\qquad\qquad\quad\left.+\;e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[\;2\,a_{i}b_{j}(\mbox{\boldmath$\sigma$}\cdot\nabla)(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})-\;2\,b_{i}a_{j}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot\nabla)\;\right]\;e^{-\mu_{j}\,r^{2}_{+}/2}\right.$ $\displaystyle\qquad\qquad\quad\left.+\;e^{-\mu_{j}\,r^{2}_{+}/2}\;\left[\;2\,a_{j}b_{i}(\mbox{\boldmath$\sigma$}\cdot\nabla)(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})-\;2\,b_{j}a_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})(\mbox{\boldmath$\sigma$}\cdot\nabla)\;\right]\;e^{-\mu_{i}\,r^{2}_{-}/2}\right.$ $\displaystyle\qquad\qquad\quad\left.+\;e^{-\mu_{j}\,r^{2}_{-}/2}\;\left[\;2\,a_{j}b_{i}(\mbox{\boldmath$\sigma$}\cdot\nabla)(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{+})-\;2\,b_{j}a_{i}(\mbox{\boldmath$\sigma$}\cdot{\bf r}_{-})(\mbox{\boldmath$\sigma$}\cdot\nabla)\;\right]\;e^{-\mu_{i}\,r^{2}_{+}/2}\;\right\\}$ $\displaystyle\qquad=\ \frac{1}{4\pi}\;\sum_{i,j}\int d^{3}r\;\;V(r_{\pm})\left\\{\;e^{-\mu_{i}\,r^{2}_{+}/2}\;\left[a_{i}b_{j}(3-\mu_{j}r_{-}^{2})+\;b_{i}a_{j}\mu_{j}({\bf r}_{+}\cdot{\bf r}_{-})\right]\;e^{-\mu_{j}\,r^{2}_{-}/2}\right.$ $\displaystyle\qquad\qquad\qquad\qquad\left.+\;e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[a_{i}b_{j}(3-\mu_{j}r_{+}^{2})+\;b_{i}a_{j}\mu_{j}({\bf r}_{+}\cdot{\bf r}_{-})\right]\;e^{-\mu_{j}\,r^{2}_{+}/2}\right.$ $\displaystyle\qquad\qquad\qquad\qquad\left.+\;e^{-\mu_{j}\,r^{2}_{+}/2}\;\left[a_{j}b_{i}(3-\mu_{i}r_{-}^{2})+\;b_{j}a_{i}\mu_{i}({\bf r}_{+}\cdot{\bf r}_{-})\right]\;e^{-\mu_{i}\,r^{2}_{-}/2}\right.$ $\displaystyle\qquad\qquad\qquad\qquad\left.+\;e^{-\mu_{j}\,r^{2}_{-}/2}\;\left[a_{j}b_{i}(3-\mu_{i}r_{+}^{2})+\;b_{j}a_{i}\mu_{i}({\bf r}_{+}\cdot{\bf r}_{-})\right]\;e^{-\mu_{i}\,r^{2}_{+}/2}\;\right\\}$ $\displaystyle\qquad=\ \sum_{i,j}\left\\{\;a_{i}b_{j}\;K_{ij,\,<2V\nabla>}^{(1)}+a_{j}b_{i}\;K_{ji,\,<2V\nabla>}^{(1)}\;\right\\}\ ,$ (66) where $\displaystyle K_{ij,\,<2\,V\nabla>}^{(1)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\;\int d^{3}r\;(r_{\pm}-R)\left\\{\;e^{-\mu_{i}\,r^{2}_{+}/2}\;\left[(3-\mu_{j}r_{-}^{2})+\mu_{i}({\bf r}_{+}\cdot{\bf r}_{-})\right]e^{-\mu_{j}\,r^{2}_{-}/2}\;\right.$ (67) $\displaystyle\qquad\qquad\qquad\quad\left.+\;e^{-\mu_{i}\,r^{2}_{-}/2}\;\left[(3-\mu_{j}r_{+}^{2})+\mu_{i}({\bf r}_{+}\cdot{\bf r}_{-})\right]e^{-\mu_{j}\,r^{2}_{+}/2}\;\right\\}$ $\displaystyle=$ $\displaystyle-\mu_{j}\,K_{ij,\,a}^{(1)}+\mu_{j}\,R\,K_{ij,\,b}^{(1)}+\mu_{i}\,K_{ij,\,c}^{(1)}-\mu_{i}\,R\,K_{ij,\,d}^{(1)}+3\,K_{ij,\,e}^{(1)}-3\,R\,K_{ij,\,f}^{(1)}\ .$ The first integral, $K_{ij,\,a}^{(1)}=\frac{1}{4\pi}\int d^{3}r\;\left\\{\;e^{-\mu_{i}\,r^{2}_{+}/2}\;r_{\pm}\,r_{-}^{2}\;e^{-\mu_{j}\,r_{-}^{2}/2}+e^{-\mu_{i}\,r^{2}_{-}/2}\;r_{\pm}\,r_{+}^{2}\;e^{-\mu_{j}\,r_{+}^{2}/2}\right\\}\ ,$ (68) can be done using $\mu=\mu_{i}+\mu_{j}$ and $\nu=\mu_{i}-\mu_{j}$, noting that $\mu>|\nu|$. Writing $\displaystyle e^{-\mu_{i}\,r^{2}_{+}/2}\,r_{-}^{2}\;e^{-\mu_{j}\,r_{-}^{2}/2}+e^{-\mu_{i}\,r^{2}_{-}/2}\,r_{+}^{2}\;e^{-\mu_{j}\,r_{+}^{2}/2}$ $\displaystyle\qquad\qquad=2\;e^{-\mu\,(\rho^{2}+z^{2}+\delta^{2})/2}\left\\{\;(\rho^{2}+z^{2}+\delta^{2})\cosh(\nu\delta z)+(2z\delta)\sinh(\nu\delta z)\right\\}$ (69) displays the $i,\;j$ symmetric and anti-symmetric parts explicitly. After converting back to $\mu_{i}$ and $\mu_{j}$, $\displaystyle K_{ij,\,a}^{(1)}$ $\displaystyle\;=\ \frac{2}{\mu_{j}(\mu_{i}+\mu_{j})^{4}}\left\\{\;[\;5\,\mu_{j}\,(\mu_{i}+\mu_{j})+4\,\mu_{i}^{2}\mu_{j}\;\delta^{2}\;]\;e^{-2\mu_{i}\;\delta^{2}}\right.$ $\displaystyle\qquad\qquad\qquad\quad+\ [\;(\mu_{i}+\mu_{j})(-2\mu_{i}+3\mu_{j})+4\,\mu_{i}^{2}\mu_{j}\;\delta^{2}\;]\;e^{-2\mu_{j}\;\delta^{2}}$ $\displaystyle\qquad\qquad\qquad\quad\left.+\ [\,(\mu_{i}+\mu_{j})(\mu_{i}-4\,\mu_{j})-4\,\mu_{i}^{2}\mu_{j}\;\delta^{2}\,]\;e^{-\frac{1}{2}(\mu_{i}+\mu_{j})\;\delta^{2}}\;\right\\}$ $\displaystyle+\ \frac{1}{2\,\delta\,\mu_{i}\,\mu_{j}^{2}}\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{9}}\right]^{1/2}\times$ $\displaystyle\left\\{\;2\,[\;\mu_{i}\,(\mu_{i}+\mu_{j})^{2}(2\,\mu_{i}+5\,\mu_{j})+\;4\,\mu_{i}\mu_{j}(\mu_{i}+\mu_{j})(\mu_{i}^{2}-2\,\mu_{i}\mu_{j}+3\,\mu_{j}^{2})\;\delta^{2}+16\,\mu_{i}^{3}\mu_{j}^{3}\;\delta^{4}\;]\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\qquad\times\;e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\;\text{Erf}\left(\sqrt{2/(\mu_{i}+\mu_{j})}\;\mu_{j}\;\delta\;\right)$ $\displaystyle\quad-\ 2\,\mu_{j}^{2}[\;3\,(\mu_{i}+\mu_{j})^{2}+24\,\mu_{i}^{2}(\mu_{i}+\mu_{j})\;\delta^{2}+16\,\mu_{i}^{4}\;\delta^{4}\;]$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\qquad\times\;e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\;\text{Erfc}\left(\sqrt{2/(\mu_{i}+\mu_{j})}\;\mu_{i}\;\delta\;\right)$ $\displaystyle\quad-\ [\;(\mu_{i}+\mu_{j})^{2}(2\,\mu_{i}^{2}+5\,\mu_{i}\mu_{j}-3\,\mu_{j}^{2})+\;4\,\mu_{i}\mu_{j}(\mu_{i}+\mu_{j})(\mu_{i}^{2}-8\,\mu_{i}\mu_{j}+3\,\mu_{j}^{2})\;\delta^{2}$ $\displaystyle\qquad\qquad\qquad-\;16\;\mu_{i}^{3}\mu_{j}^{2}\,(\mu_{i}-\mu_{j})\;\delta^{4}]\;e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\;\;\text{Erfc}\left(\frac{(\mu_{i}-\mu_{j})}{\sqrt{2(\mu_{i}+\mu_{j})}}\;\delta\;\right)$ $\displaystyle\quad+\;\left.(\mu_{i}+\mu_{j})^{3}\,(2\,\mu_{i}+3\,\mu_{j})\;\text{Erfc}\left(\sqrt{(\mu_{i}+\mu_{j})/2}\;\delta\;\right)\right\\}\ ,$ which is, as expected, not symmetric in $i$ and $j$. It is, however, non- singular: $K_{ij,\,a}^{(1)}=16/(\mu_{i}+\mu_{j})^{3}$ at $\delta=0$. Its plot resembles that in Fig. 9D. The second integral is much simpler, $\displaystyle K_{ij,\,b}^{(1)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\int d^{3}r\;\left\\{\;e^{-\mu_{i}\,r^{2}_{+}/2}\;\,r_{-}^{2}\;e^{-\mu_{j}\,r_{-}^{2}/2}+e^{-\mu_{i}\,r^{2}_{-}/2}\;\,r_{+}^{2}\;e^{-\mu_{j}\,r_{+}^{2}/2}\right\\}$ (71) $\displaystyle=$ $\displaystyle\ \left[\frac{2\pi}{(\mu_{i}+\mu_{j})^{7}}\right]^{1/2}\left[\;3\,(\mu_{i}+\mu_{j})+4\,\mu_{j}^{2}\;\delta^{2}\;\right]e^{-2\,\mu_{i}\mu_{j}\,\delta^{2}/(\mu_{i}+\mu_{j})}\ ,$ which is also non-symmetric, but only because of the term proportional to $\delta^{2}$. As a function of $\delta$ it looks like Fig. 9E. Almost as complicated as $K_{ij,\,a}^{(1)}$, the third integral is $\displaystyle K_{ij,\,c}^{(1)}=\frac{1}{4\pi}\int d^{3}r\;\left\\{\;e^{-\mu_{j}\,r^{2}_{+}/2}\;\,r_{\pm}\,({\bf r}_{+}\cdot{\bf r}_{-})\;e^{-\mu_{i}\,r_{-}^{2}/2}\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\qquad+\ \left.e^{-\mu_{j}\,r^{2}_{-}/2}\;\,r_{\pm}\,({\bf r}_{+}\cdot{\bf r}_{-})\;e^{-\mu_{i}\,r_{+}^{2}/2}\right\\}$ $\displaystyle\qquad=\ \frac{1}{\mu_{i}\mu_{j}(\mu_{i}+\mu_{j})^{4}}\left\\{\;2\mu_{j}\;[\;(\mu_{i}+\mu_{j})(4\mu_{i}-\mu_{j})-4\mu_{i}^{2}\mu_{j}\;\delta^{2}\;]\;e^{-2\mu_{i}\;\delta^{2}}\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\quad+\ 2\mu_{i}\;[\;(\mu_{i}+\mu_{j})(4\mu_{j}-\mu_{i})-4\mu_{i}\mu_{j}^{2}\;\delta^{2}\;]\;e^{-2\mu_{j}\;\delta^{2}}$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\quad\left.+\ [\;(\mu_{i}+\mu_{j})(\mu_{i}^{2}-8\,\mu_{i}\mu_{j}+\mu_{j}^{2})+8\,\mu_{i}^{2}\mu_{j}^{2}\;\delta^{2}\;]\;e^{-\frac{1}{2}(\mu_{i}+\mu_{j})\;\delta^{2}}\;\right\\}$ $\displaystyle\qquad\qquad+\ \frac{1}{2\,\delta\,\mu_{i}^{2}\,\mu_{j}^{2}}\left[\frac{\pi}{2(\mu_{i}+\mu_{j})^{9}}\right]^{1/2}\times$ (72) $\displaystyle\qquad\qquad\qquad\left\\{\;2\,\mu_{j}^{2}[\;(\mu_{i}+\mu_{j})^{2}(4\mu_{i}+\mu_{j})+8\,\mu_{i}^{2}\,(\mu_{i}+\mu_{j})(2\mu_{i}-\mu_{j})\;\delta^{2}-16\,\mu_{i}^{4}\mu_{j}\;\delta^{4}\;]\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\times\;e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\;\text{Erf}\left(\sqrt{\frac{2}{\mu_{i}+\mu_{j}}}\;\mu_{i}\;\delta\;\right)$ $\displaystyle\qquad\qquad\qquad-\ 2\,\mu_{i}^{2}[\;(\mu_{i}+\mu_{j})^{2}(4\mu_{j}+\mu_{i})+8\,\mu_{j}^{2}\,(\mu_{i}+\mu_{j})(2\mu_{j}-\mu_{i})\;\delta^{2}-16\,\mu_{i}\mu_{j}^{4}\;\delta^{4}\;]$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\times\;e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\;\text{Erfc}\left(\sqrt{\frac{2}{\mu_{i}+\mu_{j}}}\;\mu_{j}\;\delta\;\right)$ $\displaystyle\qquad\qquad\qquad+\ [\;(\mu_{i}+\mu_{j})^{2}(\mu_{i}^{2}+5\,\mu_{i}\mu_{j}+\mu_{j}^{2})\;-24\,\mu_{i}^{2}\mu_{j}^{2}(\mu_{i}+\mu_{j})\;\delta^{2}+16\,\mu_{i}^{3}\mu_{j}^{3}\;\delta^{4}\;]$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\times(\mu_{i}-\mu_{j})\;e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\;\;\left[1+\text{Erf}\left(\frac{(\mu_{i}-\mu_{j})}{\sqrt{2(\mu_{i}+\mu_{j})}}\;\delta\;\right)\right]$ $\displaystyle\qquad\qquad\qquad+\ \left.(\mu_{i}+\mu_{j})^{3}\;[\,(\mu_{i}^{2}+3\,\mu_{i}\mu_{j}+\mu_{j}^{2})-2\,\mu_{i}\mu_{j}(\mu_{i}+\mu_{j})\;\delta^{2}\,]\right.$ $\displaystyle\qquad\qquad\qquad\qquad\qquad\times\left.\;\text{Erfc}\left(\sqrt{(\mu_{i}+\mu_{j})/2}\;\delta\;\right)\right\\}\ ,$ which is surprisingly both symmetric, $K_{ji,\,c}^{(1)}=K_{ij,\,c}^{(1)}$, and non-singular: $K_{ij,\,c}^{(1)}=16/(\mu_{i}+\mu_{j})^{3}$ at $\delta=0$. This integral as a function of $\delta$ looks like Fig. 9B. The fourth integral is also simple, $\displaystyle K_{ij,\,d}^{(1)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\int d^{3}r\;\left\\{\;e^{-\mu_{j}\,r^{2}_{+}/2}\;\,({\bf r}_{+}\cdot{\bf r}_{-})\;e^{-\mu_{i}\,r_{-}^{2}/2}+e^{-\mu_{j}\,r^{2}_{-}/2}\;\,({\bf r}_{+}\cdot{\bf r}_{-})\;e^{-\mu_{i}\,r_{+}^{2}/2}\right\\}$ (73) $\displaystyle=$ $\displaystyle\left[\frac{2\pi}{(\mu_{j}+\mu_{i})^{7}}\right]^{1/2}\;[\;3(\mu_{j}+\mu_{i})-4\mu_{i}\mu_{j}\;\delta^{2}\,]\;e^{-2\mu_{i}\mu_{j}\;\delta^{2}/(\mu_{i}+\mu_{j})}\ .$ Its $\delta$ dependence, Fig. 9F, shows a relatively deeper minimum than that depicted in Fig. 9B. The fifth and sixth integrals are already familiar, $\displaystyle K_{ij,\,e}^{(1)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\int d^{3}r\;\left\\{\;e^{-\mu_{i}\,r^{2}_{+}/2}\;\,r_{\pm}\;e^{-\mu_{j}\,r_{-}^{2}/2}+e^{-\mu_{i}\,r^{2}_{-}/2}\;\,r_{\pm}\;e^{-\mu_{j}\,r_{+}^{2}/2}\;\right\\}\;=\;I_{ij,\,<r_{\pm}>}^{(1)}$ (74) $\displaystyle K_{ij,\,f}^{(1)}$ $\displaystyle=$ $\displaystyle\frac{1}{4\pi}\int d^{3}r\;\left\\{\;e^{-\mu_{i}\,r^{2}_{+}/2}\;\;e^{-\mu_{j}\,r_{-}^{2}/2}+e^{-\mu_{i}\,r^{2}_{-}/2}\;\;e^{-\mu_{j}\,r_{+}^{2}/2}\;\right\\}\;=\;I_{ij,\,<1>}^{(1)}\ .$ (75) These last three integrals, $K_{ij,\,d}^{(1)}$ through $K_{ij,\,f}^{(1)}$, are all symmetric in $i$ and $j$.
arxiv-papers
2013-04-19T17:00:56
2024-09-04T02:49:44.612778
{ "license": "Public Domain", "authors": "T. Goldman and Richard R. Silbar", "submitter": "Richard R. Silbar", "url": "https://arxiv.org/abs/1304.5480" }
1304.5486
Inferring evolutionary histories of pathway regulation from transcriptional profiling data Joshua G. Schraiber1, Yulia Mostovoy2, Tiffany Y. Hsu2,3 Rachel B. Brem2,∗ 1 Department of Integrative Biology, University of California, Berkeley, CA, USA 2 Department of Molecular and Cellular Biology, University of California, Berkeley, CA, USA 3 Present Address: Graduate Program in Biological and Biomedical Sciences, Harvard Medical School, Boston, MA, USA $\ast$ E-mail: Corresponding [email protected] ## Abstract One of the outstanding challenges in comparative genomics is to interpret the evolutionary importance of regulatory variation between species. Rigorous molecular evolution-based methods to infer evidence for natural selection from expression data are at a premium in the field, and to date, phylogenetic approaches have not been well-suited to address the question in the small sets of taxa profiled in standard surveys of gene expression. We have developed a strategy to infer evolutionary histories from expression profiles by analyzing suites of genes of common function. In a manner conceptually similar to molecular evolution models in which the evolutionary rates of DNA sequence at multiple loci follow a gamma distribution, we modeled expression of the genes of an _a priori_ -defined pathway with rates drawn from an inverse gamma distribution. We then developed a fitting strategy to infer the parameters of this distribution from expression measurements, and to identify gene groups whose expression patterns were consistent with evolutionary constraint or rapid evolution in particular species. Simulations confirmed the power and accuracy of our inference method. As an experimental testbed for our approach, we generated and analyzed transcriptional profiles of four _Saccharomyces_ yeasts. The results revealed pathways with signatures of constrained and accelerated regulatory evolution in individual yeasts and across the phylogeny, highlighting the prevalence of pathway-level expression change during the divergence of yeast species. We anticipate that our pathway-based phylogenetic approach will be of broad utility in the search to understand the evolutionary relevance of regulatory change. ## Author Summary Comparative transcriptomic studies routinely identify thousands of genes differentially expressed between species. The central question in the field is whether and how such regulatory changes have been the product of natural selection. Can the signal of evolutionarily relevant expression divergence be detected amid the noise of changes resulting from genetic drift? Our work develops a theory of gene expression variation among a suite of genes that function together. We derive a formalism that relates empirical observations of expression of pathway genes in divergent species to the underlying strength of natural selection on expression output. We show that fitting this type of model to simulated data accurately recapitulates the parameters used to generate the simulation. We then make experimental measurements of gene expression in a panel of single-celled eukaryotic yeast species. To these data we apply our inference method, and identify pathways with striking evidence for accelerated or constrained regulatory evolution, in particular species and across the phylogeny. Our method provides a key advance over previous approaches in that it maximizes the power of rigorous molecular-evolution analysis of regulatory variation even when data are relatively sparse. As such, the theory and tools we have developed will likely find broad application in the field of comparative genomics. ## Introduction Comparative studies of gene expression across species routinely detect regulatory variation at thousands of loci [1]. Whether and how these expression changes are of evolutionary relevance has become a central question in the field. In landmark cases, experimental dissection of model phenotypes has revealed evidence for adaptive regulatory change at individual genes [2, 3, 4, 5]. These findings have motivated hypothesis-generating, genome-scale searches for signatures of natural selection on gene regulation. In addition to molecular-evolution analyses of regulatory sequence [6, 7, 8, 9], phylogenetic methods have been developed to infer evidence for non-neutral evolutionary change from measurements of gene expression [10, 11, 12]. Two classic models of continuous character evolution have been used for the latter purpose: Brownian motion models, which can specify lineage-specific rates of evolution on a phylogenetic tree [13, 14, 15, 16] and have been used to model the neutral evolution of gene expression [17, 11], and the Ornstein-Uhlenbeck model, which by describing lineage-specific forces of drift and stabilizing selection [13, 18, 19] can be used to test for evolutionary constraint on gene expression [11, 12]. To date, phylogenetic approaches have had relatively modest power to infer lineage-specific rates or selective optima of gene expression levels. This limitation is due in part to the sparse species coverage typical of transcriptomic surveys, in contrast to studies of organismal traits where observations in hundreds of species can be made to maximize the power of phylogenetic inference [20, 21, 22]. As a complement to model-based phylogenetic methods, more empirical approaches have also been proposed that detect expression patterns suggestive of non- neutral evolution [23, 24, 25]. We previously developed a paradigm to detect species changes in selective pressure on the regulation of a pathway, or suite of genes of common function, in the case where multiple independent variants drive expression of pathway genes in the same direction [24, 26]. Broadly, pathway-level analyses have the potential to uncover evidence for changes in selective pressure on a gene group in the aggregate, when the signal at any one gene may be too weak to emerge from genome-scale scans. However, the currently available tests for directional regulatory evolution are not well suited to cases in which some components of a pathway are activated, and others are down-regulated, in response to selection. In this work, we set out to combine the rigor of phylogenetic methods to reconstruct histories of continuous-character evolution with the power of pathway-level analyses of regulatory change. We reasoned that an integration of these two families of methods could be used to detect cases of pathway regulatory evolution from gene expression data, without assuming a directional model. To this end, we aimed to develop a phylogenetic model of pathway regulatory change that accounted for differences in evolutionary rate between the individual genes of a pathway. We sought to use this model to uncover gene groups whose regulation has undergone accelerated evolution or been subject to evolutionary constraint, over and above the degree expected by drift during species divergence as estimated from genome sequence. As an experimental testbed for our inference strategy, we used the _Saccharomyces_ yeasts. These microbial eukaryotes span an estimated 20 million years of divergence and have available well-established orthologous gene calls [27], and yeast pathways are well-annotated based on decades of characterization of the model organism _S. cerevisiae_. We generated a comparative transcriptomic data set across Saccharomycetes by RNA-seq, and we used the data to search for cases of pathway regulatory change. ## Results ### Modeling the rates of regulatory evolution across the genes of a pathway The Brownian-motion model of expression of a gene predicts a multivariate normal distribution of observed expression levels in the species at the tips of a phylogenetic tree. The variance-covariance matrix of this multivariate normal distribution reflects both the relatedness of the species and the rate of regulatory evolution along each branch of the tree. We sought to apply this model to interpret expression changes in a pre-defined set of genes of common function, which we term a pathway. Our goal was to test for accelerated or constrained regulatory variation in a pathway relative to the expectation from DNA sequence divergence, as specified by a genome tree. To avoid the potential for over-parameterization if the rate of each gene in a pathway were fit separately, we instead developed a formalism, detailed in Methods, to model regulatory evolution in the pathway using a parametric distribution of evolutionary rates across the genes. This strategy parallels well-established models of the rate of DNA sequence evolution across different sites in a locus or genome [28]. Briefly, we assumed that each gene in the pathway draws its rate of evolution from an inverse gamma distribution, and we derived the relationship between the parameters of this distribution and the likelihood of expression observations at the tips of the tree. For each gene, we modeled the contrasts of the expression level in each species relative to an arbitrary species used as a reference, to eliminate the need to estimate the ancestral expression level. A further normalization step, recentering the distribution of expression across pathway genes in each species to a mean of $0$, corrected for the effects of coherent regulatory divergence due to drift. This formalism enabled a maximum-likelihood fit of the parameters describing the pathway expression distribution, given empirical expression data, and could accommodate models of lineage-specific regulatory evolution, in which a particular subtree was described by distinct evolutionary rate parameters relative to the rest of the phylogeny. As a point of comparison, we additionally made use of an Ornstein-Uhlenbeck (OU) model [19]: here the rate of regulatory evolution of each gene in a pathway, across the entire phylogeny, was drawn from an inverse-gamma distribution, and all genes of the pathway were subject to the same degree of stabilizing selection, again across the entire tree. Our ultimate application of the method given a set of expression data was to enumerate all possible Brownian motion models in which pathway expression evolved at a distinct rate along the lineages of a subtree relative to the rest of the phylogeny, and for each such model, apply our fitting strategy and tabulate the likelihood of the data under the best-fit parameter set. To compare these likelihoods and the analogous likelihood from the best-fit OU model of universal constraint, we applied a standard Akaike information criterion (AIC) [21, 29, 30] to identify strongly supported models. ### Simulation testing of inference of pathway regulatory evolution As an initial test of our approach, we sought to assess the performance of our phylogenetic inference scheme in the ideal case in which rates of regulatory evolution of the genes of a pathway were simulated from, and thus conformed to, the models of our theoretical treatment. In keeping with our experimental application below which used a comparison of _Saccharomyces_ yeast species as a testbed, we developed a simulation scheme using a molecular clock-calibrated _Saccharomyces_ phylogeny [27] (see Figure 1a inset). We simulated the expression of a multi-gene pathway in which rates of evolution of the member genes were drawn from an inverse gamma distribution. With the simulated expression data in hand from a given generating model, we fit an OU model, an equal-rates model, and models of evolutionary rate shifts in each subtree in turn. Figure 1 shows the results of inferring the mode and rate of evolution from data simulated under a model of accelerated regulatory change on the branch leading to _S. paradoxus_ , and similar results can be seen in Figures S1 through S5 for other rate shift models. As expected, for very small gene groups, inference efforts did not achieve high power or recapitulate model parameters (Figure 1a, leftmost data point; Figure 1b, leftmost point in each cluster), reflecting the challenges of the phylogenetic approach when applied on a gene-by-gene basis to relatively sparse trees like the _Saccharomyces_ species set. By contrast, for pathways of ten genes or more, we observed strong AIC support for the true generating model in cases of lineage-specific regulatory evolution, approaching AIC weights of 100% for the correct model if a pathway contained more than 50 genes (Figure 1a, Figure S1 and panel a of Figures S2-S5). In these simulations our method also inferred the correct magnitudes of lineage-specific shifts with high confidence, for all but the smallest pathways (Figure 1b and panel b of Figures S2-S5). Likewise, when applied to simulated expression data generated under models of phylogeny-wide constraint, our method successfully identified OU as the correct model (Figure 2a), though with biased estimates of the magnitude of the constraint parameter when the latter was large (Figure 2b), likely due to a lack of identifiability with the inverse-gamma rate parameter (Figure S6). We also sought to evaluate the robustness of our method to violations of the underlying model. To explore the effect of our assumption of independence between genes, we simulated a pathway in which expression of the individual genes was coupled to one another and evolving under an equal-rates Brownian motion model, and we inferred evolutionary histories either including or eliminating the mean-centering normalization step of our analysis pipeline. With the latter step in place, our method correctly yielded little support for shifts in evolutionary rates in the simulated data except in the case of extremely tight correlation between genes, a regime unlikely to be biologically relevant (Figure S7). Additionally, to test the impact of our assumption that the genes of a pathway were all subject to similar evolutionary pressures, we simulated a heterogeneous pathway in which expression of only a fraction of the gene members was subject to a lineage- specific shift in evolutionary rate. Inferring parameters from these data revealed accurate detection of rate shifts even when a large proportion of the genes in the pathway deviated from the rate shift model (Figure S8). Taken together, our results make clear that the pathway-based phylogenetic approach is highly powered to infer evolutionary histories of gene expression change, particularly lineage-specific evolutionary rate shifts. As a contrast to the poor performance of phylogenetic inference when applied to one or a few genes, our findings underscore the utility of the multi-gene paradigm in identifying candidate cases of evolutionarily relevant expression divergence. ### Phylogenetic inference of regulatory evolution from experimental measurements of _Saccharomyces_ expression We next set out to apply our method for evolutionary reconstruction of regulatory change to experimental measurements of gene expression. The total difference in gene expression between any two species is a consequence of heritable differences that act in _cis_ on the DNA strand of a gene whose expression is measured, and of variants that act in _trans_ , through a soluble factor, to impact gene expression of distal targets. Effects of _cis_ -acting variation can be surveyed on a genomic scale using our previously reported strategy of mapping of RNA-seq reads to the individual alleles of a given gene in a diploid inter-specific hybrid [24], whereas the joint effects of _cis_ and _trans_ -acting factors can be assessed with standard transcriptional profiling approaches in cultures of purebred species. To apply these experimental paradigms we chose a system of _Saccharomyces sensu stricto_ yeasts. We cultured two biological replicates for each of a series of hybrids formed by the mating of _S. cerevisiae_ to _S. paradoxus_ , _S. mikatae_ , and _S. bayanus_ in turn, as well as homozygotes of each species. We measured total expression in the species homozygotes, and allele-specific expression in the hybrids, of each gene by RNA-seq, using established mapping and normalization procedures (see Methods). In each set of expression data, we made use of _S. cerevisiae_ as a reference: we normalized expression in the homozygote of a given species, and expression of the allele of a given species in a diploid hybrid, relative to the analogous measurement from _S. cerevisiae_. To search for evidence of evolutionary constraint and lineage-specific shifts in evolutionary rate in our yeast expression data, we considered as pathways the pre-defined sets of genes of common function from the Gene Ontology (GO) process categories. For the genes of each GO term, we used normalized expression measurements in yeast species and, separately, measurements of _cis_ -regulatory variation from interspecific hybrids, as input into our phylogenetic analysis pipeline. Thus, for each of the two classes of expression measurements, for a given GO term we fit models of a lineage- specific rate shift in regulatory evolution incorporating inverse-gamma- distributed rates across genes; an analogous model with no lineage-specific rate shift; and an OU model of universal constraint. The results revealed a range of inferred evolutionary models and AIC support across GO terms (Figure 3, Tables 1 and 2, and Tables S3 and S4), and this complete data set served as the basis for manual inspection of biologically interesting features. Among the inferences of pathway regulatory evolution from our method, we observed many cases of evolutionary interest whose best-fitting model had strong AIC support (Figure 3). For each of 15 GO terms, _cis_ -regulatory expression variation measurements yielded inference of an evolutionary model with $>$80% AIC weight (Figure 3a and Table 1). Many such GO terms represented candidate cases of polygenic regulatory evolution, in which multiple independent variants, at the unlinked genes that make up a pathway, have been maintained in some yeast species in response to a lineage-specific shift in selective pressure on expression of the pathway components. For example, in replicative cell aging genes (GO term 0001302), _cis_ -regulatory variation measured in interspecific hybrids supported a model of polygenic, accelerated evolution in _S. paradoxus_ (Figure 4a), with some pathway components upregulated and some downregulated in the latter species relative to other yeasts. The total expression levels of cell aging genes in species homozygotes were also consistent with rapid evolution in _S. paradoxus_ (Figure 4a), arguing against a model of compensation between _cis_ \- and _trans_ -acting regulatory variation, and highlighting this pathway as a particularly compelling potential case of a lineage-specific change in selective pressure. In other instances, expression measurements in species homozygotes alone supported models of lineage-specific evolution, with each such pathway representing a candidate case of accelerated or constrained evolution at _trans_ -acting regulatory factors. For a total of 41 GO terms, our method inferred models with $>$80% AIC weight from homozygote species expression data (Figure 3b and Table 2). These top-scoring pathways included a set of components of the transcription machinery (GO term 0006351), whose expression levels in _S. bayanus_ were less volatile than those of other yeasts and thus supported a model of lineage-specific constraint (Figure 4b). Additionally, expression of a number of pathways in species homozygotes conformed to the OU model of universal constraint, such as a set of genes annotated in transport (GO term 0006281), whose expression varied less across all species than would be expected from the genome tree (Figure 4c). Taken together, our findings indicate that evolutionary histories can be inferred with high confidence from experimental measurements of pathway gene expression. In our yeast data, many pathways exhibit expression signatures consistent with non-neutral regulatory evolution, in particular lineages and across the phylogeny. Another emergent trend was the prevalence, across many GO terms, of models of distinct regulatory evolution in the lineage to _S. paradoxus_ as the best fit to expression measurements in species homozygotes (Figure 3b). We noted no such recurrent model in analyses of _cis_ -regulatory variation (Figure 3a), implicating _trans_ -acting variants as the likely source of the regulatory divergence in _S. paradoxus_. To validate these patterns, we applied our phylogenetic inference method to expression measurements from all genes in the genome analyzed as a single group, rather than to each GO term in turn. When we used expression data from species homozygotes as input for this genome- scale analysis, our method assigned complete AIC support to a model in which the rate of evolution was $2.5$ times faster on the branch leading to _S. paradoxus_ (AIC weight $=1$), consistent with results from individual GO terms (Figure 3b). An analogous inference calculation using measurements of _cis_ -regulatory variation, for all genes in the genome, yielded essentially complete support for an OU model of universal constraint (AIC weight $=.99$). We conclude that constraint on the _cis_ -acting determinants of gene expression, of roughly the same degree in all yeasts, is the general rule from which changes in selective pressure on particular functions may drive deviations in individual pathways. However, for many genes, expression in the _S. paradoxus_ homozygote is distinct from that of other yeasts out of proportion to its sequence divergence, suggestive of derived, _trans_ -acting regulatory variants with pleotropic effects. ## Discussion The effort to infer evolutionary histories of gene expression change has been a central focus of modern comparative genomics. Against a backdrop of a few landmark successes [11, 12], progress in the field has been limited by the relatively weak power of phylogenetic methods when applied, on a gene-by-gene basis, to measurements from small sets of species. In this work, we have met this challenge with a method to infer evolutionary rates of any suite of independently measured continuous characters that can be analyzed together across species. We have derived the mathematical formalism for this model, and we have illustrated the power and accuracy of our approach in simulations. We have generated yeast transcriptional profiles that complement available data sets [31, 32] by measuring _cis_ -regulatory contributions to species expression differences as well as the total variation between species. With these data, we have demonstrated that our phylogenetic inference method yields robust, interpretable candidate cases of pathway regulatory evolution from experimental measurements. The defining feature of our phylogenetic inference method is that it gains power by jointly leveraging expression measurements of a group of genes, while avoiding a high-dimensional evolutionary model. Rather than requiring an estimate of the evolutionary rate at each gene, our strategy estimates the parameters of a distribution of evolutionary rates across genes. We thus apply the assumption of [10] and model expression of the individual genes of a pathway as independent draws from the same distribution, mirroring the standard assumption of independence across sites in phylogenetic analyses of DNA sequence [33]. Any observation of lineage-specific _cis_ -acting regulatory variation from our approach is of immediate evolutionary interest: a species-specific excess of variants at unlinked loci of common function would be unlikely under neutrality, and would represent a potential signature of positive selection if fixed across individuals of the species. In the study of _trans_ -acting regulatory variation, _a priori_ a case of apparent accelerated evolution of a pathway could be driven by a single mutation of large effect maintained by drift in a species, as in any phenomenological analysis of trait evolution [13, 34]. Our results indicate that for correlated gene groups, the latter issue can be largely resolved by a simple transformation in which expression of each gene is normalized against the mean of all genes in the pathway. Additional corrections could be required under more complex models of correlation among pathway genes, potentially to be incorporated with matrix-regularization techniques that highlight patterns of correlation in transcriptome data [35]. Similarly, although the assumption of independence across genes could upwardly bias the likelihoods of best-fit models in our inferences, model choice and parameter estimates will still be correct on average even with the scheme implemented here [36]. Our strategy also assumes that the genes of a pre-defined pathway are subject to similar evolutionary pressures. Simulation results indicate that this assumption does not compromise the performance of our method, as we observed robust inference to be the rule rather than the exception even in a quite heterogeneous pathway, if a proportion of the genes evolved under a rate shift model. Although we have used pathways defined by Gene Ontology in this study, our method can easily be applied to gene modules defined on the basis of protein or genetic interactions or coexpression. Any such module is likely to contain both activators and repressors, or other classes of gene function whose expression may be quantitatively tuned in response to selection by alleles with effects of opposite sign [37, 38]. The phylogenetic approach we have developed here is well-suited to detect these non-directional regulatory patterns, rather than relying on the coherence of up- or down-regulation of pathway genes [24, 25, 39, 40, 26, 41]. Ultimately, a given case of strong signal in our pathway evolution paradigm, when the best-fit model is one of lineage-specific accelerated regulatory evolution, can be explained either as a product of relaxed purifying selection or positive selection on pathway output. Our approach thus serves as a powerful strategy to identify candidates for population-genetic [26] and empirical [42, 40] tests of the adaptive importance of pathway regulatory change. We have developed an R package, PIGShift (Polygenic Inverse Gamma rateShift), to facilitate the usage of our method. The pathway-level approach is not contingent on the Gaussian models of regulatory evolution we have used here, and future work will evaluate the advantages of compound Poisson process [43, 10] or more general Lévy process [44] models of gene expression. The advent of RNA-seq has enabled expression surveys across non-model species in many taxa. Maximizing the biological value of these data requires methods that evaluate expression variation in the context of sequence divergence between species. As rigorous phylogenetic interpretation of expression data becomes possible, these measurements will take their place beside genome sequences as a rich source of hypotheses, in the search for the molecular basis of evolutionary novelty. ## Methods ### Basic model Our basic assumption, following [10], is that the average expression levels of genes in a pathway evolve as independent replicates of the same Brownian motion or Ornstein-Uhlenbeck process. However, instead of assuming that each gene in the pathway has the same rate of evolution, we allow the different genes in a pathway to draw their rate of evolution from a parametric distribution. As a point of departure, we begin by considering the likelihood of a group of genes whose expression evolves independently, each with its own rate of evolution. Throughout, we use uppercase letters to represent random variables and matrices and lowercase letters to represent nonrandom variables. Assume that we have measured expression of the genes of a pathway in $n$ species, and that we have a fixed, time-calibrated phylogeny from genome sequence data describing the relationships between those species. We let $\mathbf{X}_{i}=(X_{i,1},X_{i,2},\ldots,X_{i,n})$ be the observations of the expression level of the $i$th gene of the pathway, in each of $n$ species. Both the Brownian- motion and Ornstein-Uhlenbeck (OU) models predict that the vector $\mathbf{X}_{i}$ is a draw from a multivariate normal distribution with variance-covariance matrix $\sigma_{i}^{2}\mathbf{V}$ (where $\sigma_{i}^{2}$ is a scalar—the rate of evolution—and the elements of $\mathbf{V}$ depend on whether evolution follows the Brownian or Ornstein-Uhlenbeck model; see below). Hence, the likelihood of the data is $g(\mathbf{X})=\prod_{i}\frac{1}{\sqrt{(2\pi\sigma_{i}^{2})^{n}\det(\mathbf{V})}}e^{-\frac{1}{2\sigma_{i}^{2}}(\mathbf{x}_{i}-\mathbf{\mu}_{i})^{\prime}\mathbf{V}^{-1}(\mathbf{x}_{i}-\mathbf{\mu}_{i})}$ (1) where $\mathbf{\mu}_{i}$ is a vector representing the mean expression value at the tips of the phylogenetic tree for gene $i$. Note that $\sigma_{i}^{2}V_{j,k}=\text{Cov}(X_{i,j},X_{i,k})$ where $V_{i,j}$ is the $i,j$th element of $\mathbf{V}$. If we assume that there is no branch-specific directionality to evolution, we can avoid the need to estimate $\mu$ in either the Brownian motion model or the OU model by a renormalization of the data. We first arbitrarily choose the gene expression measurements in a single species (say species 1), and define the new random vector $\mathbf{Z}_{i}=(Z_{i,2},Z_{i,3},\ldots,Z_{i,n})$ by $Z_{i,j}=X_{i,j}-X_{i,1}.$ By our assumption that there is no branch-specific directionality, $\mathbb{E}(X_{i,j})=\mathbb{E}(X_{i,1})$ so $\mathbb{E}(Z_{i,j})=0$ for all $i$ and $j$. Because each $\mathbf{X}_{i}$ is multivariate normally distributed with dimension $n$, each $\mathbf{Z}_{i}$ will also be multivariate normally distributed with dimension $n-1$ and a slightly different covariance structure. Letting $\mathbf{W}$ be the covariance matrix corresponding to the $\mathbf{Z}_{i}$, elementary calculations taking into account variances and covariances of sums of random variables reveal that $W_{i-1,j-1}=\begin{cases}V_{i,i}+V_{1,1}-2V_{i,1}&\text{if }i=j\\\ V_{i,j}+V_{1,1}-V_{i,1}-V_{j,1}&\text{if }i\neq j.\end{cases}$ Next, we wish to incorporate into the Brownian motion and OU models a scheme in which the rates of evolution of the genes of a pathway are not specified independently but instead are drawn from an inverse-gamma distribution. In this context, the genes in a pathway share $\mathbf{W}$, the variance- covariance structure due to the tree, but the rate of evolution $\sigma_{i}^{2}$ for each gene is an independent draw from an inverse-gamma distribution. The inverse-gamma distribution has density $h(y)=\frac{\beta^{\alpha}}{\Gamma(\alpha)}y^{-(\alpha+1)}e^{-\frac{\beta}{y}},$ (2) where $\Gamma(\cdot)$ is the gamma function and $\alpha$ and $\beta$ are shape and scale parameters. The moments of this distribution are $\mathbb{E}(Y)=\frac{\beta}{\alpha-1}$ and $\text{Var}(Y)=\frac{\beta^{2}}{(\alpha-1)^{2}(\alpha-2)},$ from which it follows that the inverse-gamma distribution has no mean if $\alpha<1$ and no variance if $\alpha<2$. These properties allow for the distribution of rates of gene expression evolution in a pathway to be relatively broad; in addition, the inverse gamma density has no mass at $0$, which prevents any gene in a pathway from not evolving at all. Also, as $\alpha\rightarrow\infty$ and $\beta\rightarrow\infty$ as $\frac{\beta}{\alpha-1}=\mu$ stays fixed, the distribution converges to a point mass at $\mu$. Thus, a model where there is one rate for every gene is nested within the inverse-gamma distributed rates model. Computation of the the likelihood of the data under this model is simplified by the fact that the inverse-gamma distribution is the conjugate prior to the variance of a normal distribution. Hence, we see that the likelihood of the observed expression data $\mathbf{Z}$ is $\displaystyle L(\mathbf{Z})$ $\displaystyle=$ $\displaystyle\idotsint_{0}^{\infty}g(\mathbf{Z})h(\sigma_{1}^{2})h(\sigma_{2}^{2})\cdots h(\sigma_{n}^{2})d(\sigma_{1}^{2})d(\sigma_{2}^{2})\cdots d(\sigma_{n}^{2})$ (3) $\displaystyle=$ $\displaystyle\prod_{i}\int_{0}^{\infty}\frac{1}{\sqrt{(2\pi\sigma^{2})^{n-1}\det(\mathbf{W})}}e^{-\frac{1}{2\sigma^{2}}\mathbf{z_{i}}^{\prime}\mathbf{W}^{-1}\mathbf{z_{i}}}\frac{\beta^{\alpha}}{\Gamma(\alpha)}(\sigma^{2})^{-(\alpha+1)}e^{-\frac{\beta}{\sigma^{2}}}d(\sigma^{2})$ $\displaystyle=$ $\displaystyle\prod_{i}\frac{1}{\sqrt{(2\pi)^{n-1}\det(\mathbf{W})}}\frac{\beta^{\alpha}}{(\frac{1}{2}\mathbf{z}_{i}^{\prime}\mathbf{W}^{-1}\mathbf{z}_{i}+\beta)^{\alpha+(n-1)/2}}\frac{\Gamma(\alpha+(n-1)/2)}{\Gamma(\alpha)}.$ The second line follows recognizing that each integral is independent. Thus, the likelihood of the observations of transcriptome-wide gene expression across the pathway in $n$ taxa, normalized by the expression level in taxon $1$, is given by (3). For the application to simulated and experimental data as described below, given observations of gene expression of the species at the tips of the tree, and a model that specifies the covariance matrix $\mathbf{V}$ detailed in the next section, we optimized the log likelihood function using the L-BFGS-B optimization routine in R [45]. ### Covariance matrix In the previous section, we left the unnormalized covariance matrix $\mathbf{V}$ unspecified. Here we briefly recall the forms of $\mathbf{V}$ under Brownian motion and the Ornstein-Uhlenbeck process. Define the height of the evolutionary tree to be $T$ and and the height of the node containing the common ancestor of taxa $i$ and $j$ by $t_{ij}$. Then the covariance matrix for Brownian motion is $V_{i,j}=\begin{cases}t_{ij}&\text{if }i\neq j\\\ T&\text{if }i=j\end{cases}$ and the covariance matrix for the Ornstein-Uhlenbeck process is $V_{i,j}=\begin{cases}\frac{1}{2\theta}e^{-2\theta(T-t_{ij})}(1-e^{2\theta t_{ij}})&\text{if }i\neq j\\\ \frac{1}{2\theta}(1-e^{2\theta T})&\text{if }i=j\end{cases}$ where $\theta$ quantifies the strength of stabilizing selection, with large $\theta$ corresponding to stronger selection. To model lineage-specific shifts in the evolutionary rate of gene expression in the context of the Brownian motion model, we adopt a framework similar to that of O’Meara _et al._[15]. We assume that in a specified subtree of the total phylogeny, the rate of evolution of every gene is multiplied by a constant, compared to the rest of the tree. Under the Brownian motion model, this is equivalent to multiplying the branch lengths in that part of the tree by that same constant; hence, shifts in evolutionary rate are incorporated by multiplying the branch lengths of affected branches by the value of the rate shift. ### Comparing likelihoods among fitted models To evaluate the support for the distinct models we fit to expression data for a given pathway, we require a strategy that will be broadly applicable in cases where no _a priori_ expectation of the correct model is available, such that nested hypothesis testing schemes [15] are not applicable. Instead, given likelihoods $L$ from fitting of each model in turn to expression data from the genes of a pathway, we use the Akaike Information Criterion, $2k-2ln(L)$ [46], to report the strength of the support for each, where $k$ is the number of parameters in the model ($k=2$ for the Brownian motion model in which the rate of evolution is the same along all lineages in the phylogeny, and $k=3$ for all other models). ### Simulations For all simulations, we used a phylogenetic tree adapted from [27] by removing the branch leading to _Saccharomyces kudriavzevii_ (see inset of Figure 1a and Figures S1-S5). To simulate under models in which each gene in a pathway evolves independently, we generated expression data for one gene at a time as follows. We first drew the rate of evolution from the appropriately parameterized inverse-gamma distribution. Then, without loss of generality, we specified that the expression level at the root of the phylogeny was equal to $0$, and we simulated evolution along the branches of the yeast phylogeny according to either a Brownian motion or an Ornstein-Uhlenbeck process (with optimal expression level equal to $0$), using the terminal expression level on a branch as the initial expression level of its daughter branches. To account for lineage-specific shifts in evolutionary rate in a simulated pathway, we multiplied the rate of evolution of each gene by the rate shift parameter for evolution along the branches affected by the rate shift. For each Brownian motion-based rate shift model applicable to the tree, we simulated 100 replicate datasets for each of a range of gene group sizes, in each case setting $\alpha=3$, $\beta=2$, and the rate shift parameter as specified in Figure 1 and Figures S1-S5. For the Ornstein-Uhlenbeck model, we simulated 100 replicate datasets for each of a range of pathway sizes with $\alpha=3$, $\beta=2$, and $\theta$ as specified in Figure 2. To simulate under models in which expression of genes in a pathway was correlated with coefficient $\rho$, we first drew $(\sigma^{2}_{i},1\leq i\leq n)$, the rate of evolution for each gene, from an inverse-gamma distribution with $\alpha=3$, $\beta=2$. We then parameterized the instantaneous variance- covariance matrix of the $n$-dimensional Brownian motion by $\Sigma_{i,j}=\begin{cases}\sigma^{2}_{i}&\text{if }i=j\\\ \rho\sigma_{i}\sigma_{j}&\text{if }i\neq j\end{cases}$ so that the distribution of trait change along a lineage was multivariate normal with mean 0 and variance covariance matrix $\Sigma$. Separate simulated expression data sets were generated with $\rho$ varying from 0 (complete independence) to 1 (complete dependence) using 100 replicate simulations for each value. ### Yeast strains, growth conditions, and RNA-seq Strains used in this study are listed in Table S1. For pairwise comparisons of _S. cerevisiae_ and each of _S. paradoxus_ , _S. mikatae_ , and _S. bayanus_ , two biological replicates of each diploid parent species and each interspecific hybrid were grown at 25∘C in YPD medium [47] to log phase (between 0.65-0.75 OD at 600 nm). Total RNA was isolated by the hot acid phenol method [47] and treated with Turbo DNA-free (Ambion) according to the manufacturer’s instructions. Libraries for a strand-specific RNA-seq protocol on the Illumina sequencing platform, which delineates transcript boundaries by sequencing poly-adenylated transcript ends, were generated as in [48] with the following modifications: 1) AmpureXP beads (Beckman) were used to clean up enzymatic reactions; 2) the gel purification and size-selection step was eliminated; 3) the oligo-dT primer used for cDNA synthesis was phosphorothioated at position ten (TTTTTTTTTT*TTTTTTTTTTVN, V=A,C,G, N=A,C,G,T, *=phosphorothioate linkage, Integrated DNA Technologies); and 4) 12 PCR cycles were performed. Libraries were sequenced using 36 bp paired-end modules on an Illumina IIx Genome Analyzer (Elim Biopharmaceuticals). ### RNA-seq mapping and normalization Bioinformatic analyses were conducted in Python and R. RNA-seq reads were stripped of their putative poly-A tails by removing stretches of consecutive Ts flanking the sequenced fragment; reads without at least two such Ts were discarded, as were reads with Ts at both ends. To ensure that expression data from hybrid diploids and purebred species could be compared, for each class of expression measurement for a given pair of species we mapped reads to both species genomes from http://www.saccharomycessensustricto.org [27] using Bowtie [49] with default settings and flags -m1 -X1000. These settings allowed us to retain only those reads that were unambiguously assigned to one of the two species in each pairwise comparison. A mapped read was inferred to have originated from the plus strand of the genome if its poly-A tail corresponded to a stretch of As at the 3′ end of the fragment, and a read was assigned to the minus strand if its poly-A tail corresponded to a stretch of Ts at the 5′ end of the fragment relative to the reference genome. To filter out cases in which inferred poly-A tails originated from stretches of As or Ts encoded endogenously in the genome, we eliminated from analysis all reads whose stretch of As or Ts contained more than 50% matches to the reference genome. In order to filter out cases of potential oligo-dT mispriming during cDNA synthesis, we also eliminated from analysis all reads that contained 10 or more As in the 20 nucleotides upstream of their transcription termination site. Read mapping statistics can be found in Table S2. We controlled for read abundance biases due to differing GC content as follows. For each lane of sequencing, we grouped sets of overlapping reads and normalized abundance according to GC content of the overlapping region using full-quantile normalization as implemented in the package EDASeq [50]. Normalized abundance was divided by raw abundance to generate a weight that was assigned to every read in the group. These weights were used in place of raw read counts in all downstream analyses. All expression data are available through the Gene Expression Omnibus under identification number GSE38875. ### Transcript annotation Coordinates of orthologous open reading frames (ORFs) in each genome were taken from http://www.saccharomycessensustricto.org. These ORF boundaries in _S. cerevisiae_ differed, in some cases, from ORF definitions in the _Saccharomyces_ Genome Database [51, SGD, using the definitions from December 22, 2007]; genes for which the two sets of definitions did not overlap were discarded. For cases where the definitions overlapped but differed by more than ten base pairs at either end, we used the boundaries defined by SGD and adjusted ortholog boundaries in other species accordingly after performing local multiple alignment [52] of the orthologous regions and flanking sequences as defined by [27]. For most genomic loci, each sense transcript feature was defined as the region from 50 bp upstream to 500 bp downstream of its respective ORF. If sequence within this window for a given target ORF overlapped with the boundaries of an adjacent gene or known non-coding RNA on the same strand, the sense feature boundaries of the target were trimmed to eliminate the overlap. For tandem gene pairs, the 3′ boundary of the upstream gene sense feature was set to 500 bp past the coding stop or the coding start of the downstream gene sense feature, whichever was closer; the 5′ boundary of the downstream gene sense feature was set to 50 bp upstream of its coding start or the 3′ end of the upstream gene sense feature, whichever was closer. We tabulated the GC-normalized expression counts (see above) that mapped to each transcript feature for each RNA-seq sample. Given the full set of such counts across all features and all samples, we then applied the upper-quartile between-lane normalization method implemented in EDASeq [50]. The normalized counts from this latter step for a given species were averaged across all biological replicates to yield a final expression level for the feature, which we then $\log_{2}$ transformed and used in all analysis in this work. ### Yeast pathways We downloaded the list of genes associated with each Gene Ontology process term from the _Saccharomyces_ Genome Database and filtered for terms containing at least 10 genes. The resulting set comprised 333 terms. ### Visualizing distributions of interspecific expression variation For visual inspection of expression differences between species in Figure 4, we normalized experimentally measured data by branch lengths ascertained from genome sequence as follows. If expression evolution follows the same Gaussian- based model on all lineages of the yeast phylogeny, when the expression level of gene $j$ in taxon $i$ is compared to that in taxon $1$ used as a reference, the marginal distribution $Z_{i,j}$ (the difference in expression between taxon $i$ and taxon $1$ at gene $j$) is distributed according to a univariate analog of equation (3). In this case, dividing $Z_{i,j}$ by the absolute branch length according to DNA sequence between taxon $i$ and taxon $1$ eliminates the dependence of the distribution on the total divergence time between taxa, and the density of this normalized quantity will be the same for all species comparisons. In the case of lineage-specific shifts in evolutionary rate or universal selective constraint, one or more taxa will exhibit distinct densities of the normalized expression divergence measure. Thus, we generated each distribution in Figure 4 by tabulating the log fold- change in expression between the indicated species and _S. cerevisiae_ , and then dividing this quantity by the divergence time between the indicated species and _S. cerevisiae_ according to the genome tree. After this normalization, if a pathway has been subject to accelerated regulatory evolution in one lineage, the distribution of expression log fold-changes corresponding to the species at the tip of that lineage will be wider than expected based on the length of the branch from DNA sequence, and hence it will stand out against the other distributions when plotted as in Figure 4; likewise, constraint on expression evolution of a pathway in a particular species will manifest as a narrower distribution for that species. In the case of a pathway subject to the same degree of regulatory constraint on all branches of the yeast phylogeny, branch lengths ascertained from genome sequence will be large relative to the modest expression divergence, with the most dramatic disparity manifesting when divergent species are compared, yielding the narrowest distribution of normalized expression levels. 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Yoon OK, Brem RB (2010) Noncanonical transcript forms in yeast and their regulation during environmental stress. RNA 16: 1256–1267. * 49. Langmead B, Trapnell C, Pop M, Salzberg SL, et al. (2009) Ultrafast and memory-efficient alignment of short DNA sequences to the human genome. Genome Biology 10: R25. * 50. Risso D, Schwartz K, Sherlock G, Dudoit S (2011) GC-content normalization for RNA-seq data. BMC Bioinformatics 12: 480. * 51. Cherry JM, Adler C, Ball C, Chervitz SA, Dwight SS, et al. (1998) SGD: Saccharomyces genome database. Nucleic Acids Research 26: 73–79. * 52. Edgar RC (2004) MUSCLE: multiple sequence alignment with high accuracy and high throughput. Nucleic Acids Research 32: 1792–1797. ## Figure Legends Figure 1: Phylogenetic inference of the evolutionary history of yeast pathway regulation from data simulated under a model of a lineage-specific, accelerated evolutionary rate. Each panel reports results of the inference of evolutionary history from expression of the genes of a pathway in yeast species, simulated under a model of a shift in evolutionary rate on the branch leading to _S. paradoxus_ (dark line in inset phylogeny in (a)). (a), Each trace reports the strength of support for one evolutionary model in inferences from simulated expression in pathways of varying size. The $x$ axis reports the number of genes in the pathway and the $y$ axis reports the Akaike weight of the indicated model. Data were simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha=3$, $\beta=2$ and, for the branch leading to _S. paradoxus_ , increased by a factor of $5$. In the legend, ER denotes an equal-rates Brownian motion model in which rates of evolution were the same on each branch of the phylogeny; OU denotes an Ornstein-Uhlenbeck model of evolution; and species name abbreviations denote Brownian motion models of accelerated evolutionary rate on the subtrees leading to the respective taxa. (b), Each set of symbols reports results from expression data simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha=3$, $\beta=2$ and, for the branch leading to _S. paradoxus_ , increased by the factor indicated on the $x$ axis. In a given set of symbols, filled circles report the mean, and vertical bars report the standard deviation of the sampling distribution, of the inferred rate shift parameter in simulations of pathways containing, from left to right, 2, 10, 50, and 100 genes. Results from simulations of expression under models of evolutionary rate shifts on other branches of the yeast phylogeny, and simulations of expression in the absence of a lineage-specific evolutionary rate shift, are reported in Supplmentary Figures 1-5. Figure 2: Phylogenetic inference of the evolutionary history of yeast pathway regulation from data simulated under an Ornstein-Uhlenbeck (OU) model. (a), Data are as in Figure 1a except that expression measurements were simulated under an OU model in which the phylogeny-wide rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha=3$, $\beta=2$ and the phylogeny-wide constraint parameter had a value of 10. (b), Data are as in Figure 1b except that expression measurements were simulated under an OU model in which the phylogeny-wide rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha=3$, $\beta=2$ and the phylogeny-wide constraint parameter had the value indicated on the $x$ axis. Figure 3: Inference of regulatory evolution in yeast pathways from experimental expression measurements. Each panel reports results of phylogenetic inference of evolutionary histories of gene expression change from one set of experimental transcriptional profiling data. In a given panel, each vertical bar reports results of maximum-likelihood fits of Brownian- motion and Ornstein-Uhlenbeck models to expression of the genes of one Gene Ontology process term; the total proportion of a bar corresponding to a particular color indicates the Akaike weight of the corresponding model (legend at right, with labels as in Figure 1). Bars are sorted by the model with maximum Akaike weight. (a), Inference of _cis_ -regulatory variation from interspecies hybrids; numerical indices correspond to rows in Table S3. (b), Inference from measurements of total expression in species homozygotes; numerical indices correspond to rows in Table S4. Figure 4: Lineage-specific regulatory evolution and constraint in yeast pathways, inferred from experimental expression measurements. Each panel shows kernel density estimates of the distributions of experimental gene expression measurements among the genes of one yeast Gene Ontology process term, whose evolutionary history was inferred with strong support. In a given panel, each trace reports the expression levels of the genes of the indicated pathway, from the allele of the indicated yeast species in a hybrid or in the purebred homozygote of a species, normalized with respect to the analogous measurement in _S. cerevisiae_ and with respect to branch length. Inset cartoons represent the model inferred with AIC weight $>$80% for the indicated pathway (see Tables 1 and 2). (a) Allele-specific expression from measurements in diploid hybrids (left) and total expression measurements in species homozygotes (right) for the 38 genes of GO:0001302, replicative cell aging, supporting a model of accelerated evolution in _S. paradoxus_ ; in the inset, the number above the bolded branch reports the inferred shift in the rate of regulatory evolution along that lineage. (b) Allele-specific expression from measurements in diploid hybrids for the 462 genes of GO:0006351, transport, supporting a model of constraint in _S. bayanus_ ; in the inset, the number above the bolded branch reports the inferred shift in the rate of regulatory evolution along that lineage. (c) Total expression measured in species homozygotes for the 175 genes of GO:0006281, transcription, supporting an Ornstein-Uhlenbeck model of universal constraint; in the inset, the number above the tree reports the inferred value of the constraint parameter. Note that in (c), the width of the distribution of expression differences between a given species and _S. cerevisiae_ correlates inversely with the sequence divergence of that species, as expected if selective constraint on expression renders the estimate of evolutionary distance from genome sequence an increasing over-estimate of expression change. ## Tables Table 1: Top-scoring fitted models of _cis_ -regulatory evolution in yeast pathways from experimental expression measurements. GO term | $N$ | Model | wAIC | Constraint or shift parameter ---|---|---|---|--- 34599 | 57 | Ornstein-Uhlenbeck | 0.899405768 | 49.97745883 6355 | 433 | _S. bayanus_ shift | 0.837382338 | 0.230918849 6351 | 462 | _S. bayanus_ shift | 0.849912647 | 0.258701476 1302 | 38 | _S. paradoxus_ shift | 0.859866949 | 3.197059161 6897 | 73 | _S. paradoxus_ shift | 0.965743399 | 4.292287639 6338 | 45 | _S. cerevisiae_ shift | 0.840339574 | 0.037806902 42254 | 136 | Ornstein-Uhlenbeck | 0.924785133 | 3.733770466 6364 | 177 | Ornstein-Uhlenbeck | 0.902358815 | 3.079387696 44255 | 13 | _S. paradoxus_ shift | 0.945799302 | 11.43989834 54 | 11 | _S. paradoxus_ shift | 0.91523272 | 9.314688245 16310 | 188 | _S. bayanus_ shift | 0.902247359 | 0.188381056 8152 | 243 | _S. bayanus_ shift | 0.844716856 | 0.043114988 6629 | 136 | _S. bayanus_ shift | 0.91650274 | 0.005082617 122 | 71 | _S. bayanus_ shift | 0.819216472 | 0.040060263 30437 | 45 | _S. paradoxus_ shift | 0.931136455 | 4.060128813 Each row reports the results of phylogenetic inference of the evolutionary history of gene regulation for one yeast Gene Ontology process term, from experimental measurements of _cis_ -regulatory variation in interspecific yeast hybrids. $N$, number of genes in the indicated GO term for which expression measurements were available in all species. Model, best-fit model from among the five possible Brownian motion models of evolutionary rate shift in lineages of the _Saccharomyces_ phylogeny (see Figure 1a), the Ornstein- Uhlenbeck (OU) model of universal constraint, and the equal-rates model involving no lineage-specific differences in evolutionary rate. wAIC, Akaike Information Criterion weight of the indicated model. Constraint or shift parameter, fitted value of the strength of purifying selection or the shift in the rate of regulatory evolution on the indicated lineage, when the best-fit model was the OU model of constraint or a Brownian motion lineage-specific evolutionary rate model, respectively. Table 2: Top-scoring fitted models of species regulatory evolution in yeast pathways from experimental expression measurements. GO term | $N$ | Model | wAIC | Constraint or shift parameter ---|---|---|---|--- 6397 | 151 | _S. paradoxus_ shift | 0.965171603 | 3.028130303 8033 | 69 | _S. paradoxus_ shift | 0.969683391 | 3.714749932 71038 | 15 | _S. paradoxus_ shift | 0.89725301 | 6.751073973 480 | 29 | _S. paradoxus_ shift | 0.928296518 | 4.460579672 42274 | 25 | _S. paradoxus_ shift | 0.958076119 | 8.083546161 472 | 31 | _S. paradoxus_ shift | 0.953733629 | 4.686648741 15031 | 362 | _S. bayanus_ shift | 0.872939854 | 0.183834463 1302 | 38 | _S. paradoxus_ shift | 0.999927135 | 6.671016575 6006 | 22 | _S. paradoxus_ shift | 0.816341854 | 4.6555377 6260 | 72 | _S. paradoxus_ shift | 0.831407464 | 3.043207869 30163 | 15 | _S. paradoxus_ shift | 0.82364567 | 7.009201233 6897 | 73 | _S. paradoxus_ shift | 0.970677101 | 4.408614609 6412 | 228 | _S. paradoxus_ shift | 0.981277345 | 2.770778823 7121 | 16 | _S. paradoxus_ shift | 0.998579562 | 16.81960721 6914 | 49 | Ornstein-Uhlenbeck | 0.810293525 | 41.38598192 30488 | 18 | _S. paradoxus_ shift | 0.893282646 | 7.945094861 42254 | 163 | _S. paradoxus_ shift | 0.99999983 | 6.856141937 6200 | 34 | _S. paradoxus_ shift | 0.81144199 | 5.590943868 6468 | 120 | _S. paradoxus_ shift | 0.990399439 | 2.655209273 16567 | 71 | _S. paradoxus_ shift | 0.959694914 | 3.313920599 6364 | 177 | _S. paradoxus_ shift | 0.999995709 | 5.841035759 6754 | 18 | _S. paradoxus_ shift | 0.816303046 | 4.668929462 422 | 27 | Ornstein-Uhlenbeck | 0.877576591 | 57.08946364 463 | 20 | _S. paradoxus_ and _S. cerevisiae_ shift | 0.958484282 | 10.39289039 6414 | 23 | _S. paradoxus_ and _S. cerevisiae_ shift | 0.906687775 | 8.121469425 19236 | 29 | _S. paradoxus_ shift | 0.989881765 | 6.821984459 31505 | 72 | _S. paradoxus_ shift | 0.955855579 | 3.032267535 32259 | 65 | _S. paradoxus_ shift | 0.998665437 | 4.546902844 6506 | 29 | _S. paradoxus_ shift | 0.982054204 | 5.468542886 16310 | 188 | _S. paradoxus_ shift | 0.99652632 | 2.487101867 447 | 39 | _S. paradoxus_ shift | 0.994506418 | 5.252074336 6281 | 175 | Ornstein-Uhlenbeck | 0.882367142 | 3.410968446 71042 | 13 | _S. paradoxus_ shift | 0.804318406 | 6.030946867 6378 | 18 | _S. cerevisiae_ shift | 0.845112064 | 1.00E-04 7165 | 63 | _S. paradoxus_ shift | 0.811091269 | 4.465389345 6810 | 681 | Ornstein-Uhlenbeck | 0.859937275 | 2.618523967 6812 | 28 | _S. paradoxus_ shift | 0.898839416 | 4.312524185 8150 | 723 | _S. paradoxus_ shift | 0.999962114 | 2.871955612 6417 | 45 | _S. paradoxus_ shift | 0.925463092 | 5.339113187 6407 | 18 | _S. paradoxus_ shift | 0.988260506 | 8.792447836 462 | 55 | _S. paradoxus_ shift | 0.817627126 | 7.291083934 Data are as in Table 1 except that inferences were made from experimental measurements of expression in purebred yeast homozygotes. ## Supplementary Figure Legends Figure S1. Phylogenetic inference of the evolutionary history of yeast pathway regulation under a Brownian motion model with equal rates on each branch of the tree. Data are as in Figure 1a of the main text except that expression data were simulated under a model in which no yeast lineage was subject to a change in evolutionary rate. Figure S2. Phylogenetic inference of the evolutionary history of yeast pathway regulation under a model with a rate shift on the subtree leading to _S. paradoxus_ and _S. cerevisiae_. (a), Data are as in Figure 1a of the main text, except that expression measurements were simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha$ = 3, $\beta$ = 2 and, for the subtree leading to _S. paradoxus_ and _S. cerevisiae_ , increased by a factor of 5. (b), Data are as in Figure 1b of the main text, except that expression measurements were simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha$ = 3, $\beta$ = 2 and, for the subtree leading to _S. paradoxus_ and _S. cerevisiae_ , increased by the factor indicated on the $x$ axis. Figure S3. Phylogenetic inference of the evolutionary history of yeast pathway regulation under a model with a rate shift on the branch leading to _S. cerevisiae_. (a), Data are as in Figure 1a of the main text, except that expression measurements were simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha$ = 3, $\beta$ = 2 and, for the branch leading to _S. cerevisiae_ , increased by a factor of 5. (b), Data are as in Figure 1b of the main text, except that expression measurements were simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha$ = 3, $\beta$ = 2 and, for the branch leading to _S. cerevisiae_ , increased by the factor indicated on the $x$ axis. Figure S4. Phylogenetic inference of the evolutionary history of yeast pathway regulation under a model with a rate shift on the branch leading to _S. mikatae_. (a), Data are as in Figure 1a of the main text, except that expression measurements were simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha$ = 3, $\beta$ = 2 and, for the branch leading to _S. mikatae_ , increased by a factor of 5. (b), Data are as in Figure 1b of the main text, except that expression measurements were simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha$ = 3, $\beta$ = 2 and, for the branch leading to _S. mikatae_ , increased by the factor indicated on the $x$ axis. Figure S5. Phylogenetic inference of the evolutionary history of yeast pathway regulation under a model with a rate shift on the branch leading to _S. bayanus_. (a), Data are as in Figure 1a of the main text, except that expression measurements were simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha$ = 3, $\beta$ = 2 and, for the branch leading to _S. bayanus_ , increased by a factor of 5. (b), Data are as in Figure 1b of the main text, except that expression measurements were simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha$ = 3, $\beta$ = 2 and, for the branch leading to _S. bayanus_ , increased by the factor indicated on the $x$ axis. Figure S6. Relationship between inferred values of parameters in phylogenetic reconstruction of the evolutionary history of yeast pathway regulation, under an Ornstein-Uhlenbeck model. In the main plot, each data point reports the results of inference of the evolutionary history of regulation of a yeast pathway of size 100: expression data were simulated under an Ornstein- Uhlenbeck (OU) model in which the rates of regulatory evolution of pathway genes were drawn from an inverse-gamma distribution with $\alpha=3$ and $\beta=2$ and the OU constraint parameter $\theta$ was set to 10, after which parameter values for an OU model were optimized against the simulated expression data. For histograms at top and left, the independent variable is shared with the axis of the main plot and reports the indicated parameter value, and the dependent variable reports the proportion of simulated data sets in which the corresponding value was inferred. Note that inferences from most simulated data sets accurately estimate $\beta$ and $\theta$, but for a few data sets, large parameter values are inferred. Figure S7. Mean-centering pathway expression levels in each species corrects for spurious inference of non-neutral regulatory evolution arising from gene co-regulation. Each trace reports the results of inference of the evolutionary history of regulation of a yeast pathway of size 100, from expression data simulated under a Brownian motion model in which evolutionary rates were the same on all branches of the yeast phylogeny, and pathway genes were correlated with one another with respect to expression throughout the phylogeny. Each line style reports one scheme for normalization of simulated expression data before evolutionary inference: expression measurements were analyzed as is (Uncentered), or the distribution of expression across pathway genes for each species in turn was normalized to have a mean of $0$ (Centered). The $x$ axis reports the value of the correlation coefficient between genes in the group, and the $y$ axis reports the fraction of 500 simulations that resulted in a model other than the Brownian motion equal-rates model having an Akaike weight greater than 0.8. Figure S8. Heterogeneity in the mode of regulatory evolution across the genes of a pathway has little impact on inference of evolutionary histories from expression data. Each trace reports the results of inference of the evolutionary history of regulation of a yeast pathway of size 100, from expression data simulated under a Brownian motion model in which the rate of regulatory evolution for each gene was drawn from an inverse-gamma distribution with $\alpha=3$, $\beta=2$ and, for the branch leading to _S. paradoxus_ , increased by a factor of $5$ for a subset of pathway genes. The $x$ axis reports the fraction of genes in the group without a rate shift, and the $y$ axis reports the average Akaike weight assigned to each model. Line styles are as in Figure 1a of the main text. ## Supplementary Table Legends Table S1. Strains used in this work. Table S2. Read mapping statistics from yeast RNA-seq. Each set of rows reports the mapping statistics for reads from RNA-seq libraries used for a comparison of two yeast species. For a given set, in row headings, numerals indicate biological replicates, single species names indicate homozygotes, and species name pairs separated by a slash indicate diploid interspecies hybrids. Each row reports results from one library. Total reads, the full set of reads sequenced. Have polyT, the number of reads containing at least two consecutive Ts at only one end. Uniquely mapped, the number of reads mapping uniquely, with no mismatches, to the concatenated genomes of the two species of the set. Passed through filters, the number of reads whose poly-A tails were unlikely to have originated from oligo-dT mispriming to A-rich regions of the genome; see Methods. Table S3. Fitted models of $cis$-regulatory evolution in yeast pathways. Data are as in Table 1 of the main text except that results for all pathways are shown. Table S4. Fitted models of species regulatory evolution in yeast pathways. Data are as in Table 2 of the main text except that results for all pathways are shown.
arxiv-papers
2013-04-19T17:35:23
2024-09-04T02:49:44.621831
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Joshua G. Schraiber, Yulia Mostovoy, Tiffany Y. Hsu, Rachel B. Brem", "submitter": "Joshua Schraiber", "url": "https://arxiv.org/abs/1304.5486" }
1304.5618
# Maximal Subalgebras for Lie Superalgebras of Cartan Type Wei Bai111Supported by NSF of the Education Department of HLJP (12521158) Department of Mathematics, Harbin Institute of Technology, Harbin 150006, P. R. China School of Mathematical Sciences, Harbin Normal University, Harbin 150025, P. R. China Wende Liu222Supported by NSF of China (11171055) and NSF of HLJP (JC201004, A2010-03) Department of Mathematics, Harbin Institute of Technology, Harbin 150006, P. R. China Xuan Liu Applied Mathematics Department, The University of Western Ontario, London, N6A 5B7, Canada Hayk Melikyan333Supported by part NSF Grant # 0833184 Department of Mathematics and Computer Science, North Carolina Central University Durham, NC 27713, USA ###### Abstract The maximal graded subalgebras for four families of Lie superalgebras of Cartan type over a field of prime characteristic are studied. All maximal reducible graded subalgebras are described completely and their isomorphism classes, dimension formulas are found. The classification of maximal irreducible graded subalgebras is reduced to the classification of the maximal irreducible subalgebras for the classical Lie superalgebras $\mathfrak{gl}(m,n)$, $\mathfrak{sl}(m,n)$ and $\mathfrak{osp}(m,n)$. ###### keywords: Lie superalgebras; maximal graded subalgebras Mathematics Subject Classification 2010: 17B50, 17B05. ††journal: Journal of Algebra and its Applications. 3.6cm3.6cm2.4cm2cm ## 0 Introduction Since V. G. Kac [1] classified the finite dimensional simple Lie superalgebras over algebraically closed fields of characteristic zero, the theory of Lie superalgebras has undergone a significant development (for example [2, 3]). Over a field of finite characteristic, however, the classification problem is still open for the finite dimensional simple Lie superalgebras [4, 5]. Even recently, new simple Lie superalgebras over a field of characteristic $p=3$ were constructed [5, 6]. In general, study of the maximal subsystems of an algebraic system, such as finite groups, Lie groups, Lie (super)algebras, is an essential part of structural characterization of the system. In classical Lie theory, the classification of maximal subalgebras of simple Lie algebras over the field of complex numbers is one of the beautiful results of that theory which was due to E. Dynkin [7, 8]. In classical modular Lie theory there is a series of papers by G. Seitz and his students devoted to the study of the maximal subgroups of simple algebraic groups over fields of positive characteristic. These investigations were summarized by G. Seitz in his two publications [9, 10] which generalize E. Dynkin’s classification of the maximal subgroups of simple Lie groups over the field of complex numbers [8] to simple algebraic groups over fields of characteristic $p>7$. The study of maximal subalgebras of different classes of (super)algebras has been the focus of several researchers. The maximal subalgebras of Jordan (super)algebras were studied by M. Racine [11, 12], A. Elduque, J. Laliena and S. Sacristan [13, 14]. The maximal graded subalgebras of affine Kac-Moody algebras were classified in [15]. The fourth author of the present paper summarized his investigations on maximal subalgebras in Cartan type simple Lie algebras over the field of characteristic $p>3$ in his paper [16]. Let $L$ be a finite dimensional simple Lie superalgebras of Cartan type $W$, $S$, $H$ or $K$ with a $\mathbb{Z}$-grading $L=\oplus_{i\geq-2}L_{i}$. The present paper is devoted to characterizing the maximal graded subalgebras of $L$. To this end, we construct a series of graded subalgebras of $L$ and state the necessary and sufficient conditions for their maximality. Moreover, the number of isomorphism classes and the dimension formulas of all maximal graded subalgebras are completely determined except for maximal irreducible graded subalgebras. Note that the null of $L$ is isomorphic to a classical Lie superalgebra (see Lemma 2.1(3)). Thus the classification of the maximal irreducible graded subalgebras of $L$ is reduced to that of the maximal irreducible subalgebras of a classical Lie superalgebra. Moreover, we give necessary and sufficient conditions for the existence of maximal irreducible graded subalgebras of $L$. We should mention that the present work which partially generalizes the results of [16] is motivated by a paper by A. I. Kostrikin and I. R. Shafarevich [17] on the structure theory of modular Lie algebras. We close this introduction by establishing the following conventions: The underlying field $\mathbb{F}$ is an algebraically closed field of characteristic $p>3$. In addition to the standard notation $\mathbb{Z},$ we write $\mathbb{N}$ for the set of nonnegative integers. The field of two elements is denoted by $\mathbb{Z}_{2}=\\{\bar{0},\bar{1}\\}.$ For a proposition $P$, put $\delta_{P}=1$ if $P$ is true and $\delta_{P}=0$ otherwise. All subspaces, subalgebras and submodules are assumed to be $\mathbb{Z}_{2}$-graded and all the homomorphisms of $\mathbb{Z}$-graded superalgebras are both $\mathbb{Z}_{2}$-homogeneous and $\mathbb{Z}$-homogeneous. ## 1 Basics Fix two positive integers $m,n\in\mathbb{N}\backslash\\{1\\}.$ Put $\mathbf{I}_{0}=\overline{1,m},\ \mathbf{I}_{1}=\overline{m+1,m+n},\ \mathbf{I}=\mathbf{I}_{0}\cup\mathbf{I}_{1},$ where $\overline{k,s}=\\{k,k+1,\ldots,s\\}$ with the convention $\overline{k,s}=\emptyset$ whenever $k>s.$ Write $\mathbf{A}(m)=\\{\alpha=(\alpha_{1},\ldots,\alpha_{m})\in\mathbb{N}^{m}\mid 0\leq\alpha_{i}\leq p-1,i\in\mathbf{I}_{0}\\}.$ Let $\mathcal{O}(m)$ be the divided power algebra with $\mathbb{F}$-basis $\\{x^{(\alpha)}\mid\alpha\in\mathbf{A}(m)\\}$ and $\Lambda(n)$ be the exterior superalgebra of $n$ variables $x_{m+1},x_{m+2},\ldots,x_{m+n}$. The tensor product $\mathcal{O}(m,n)=\mathcal{O}(m)\otimes\Lambda(n)$ is an associative superalgebra with respect to the usual $\mathbb{Z}_{2}$-grading. Let $\mathbf{B}(n)=\\{\langle i_{1},i_{2},\ldots,i_{k}\rangle\mid 0\leq k\leq n;m+1\leq i_{1}<i_{2}<\cdots<i_{k}\leq m+n\\}$ be the set of $k$-tuples of strictly increasing integers in $\mathbf{I}_{1}$, $0\leq k\leq n.$ For $u=\langle i_{1},i_{2},\ldots,i_{k}\rangle\in\mathbf{B}(n)$, write $x^{u}=x_{i_{1}}x_{i_{2}}\cdots x_{i_{k}}$ ($x^{\emptyset}=1$). If $g\in\mathcal{O}(m)$ and $f\in\Lambda(n)$, we write $gf$ instead of $g\otimes f$. Then $\mathcal{O}(m,n)$ has a $\mathbb{Z}_{2}$-homogeneous $\mathbb{F}$-basis $\\{x^{(\alpha)}x^{u}\mid\alpha\in\mathbf{A}(m),u\in\mathbf{B}(n)\\}.$ For $i\in\textbf{I}_{0}$ and $\varepsilon_{i}=(\delta_{i1},\delta_{i2},\ldots,\delta_{im})$, write $x_{i}$ for $x^{(\varepsilon_{i})}.$ Let $\partial_{1},\ldots,\partial_{m+n}$ be the superderivations of the superalgebra $\mathcal{O}(m,n)$ such that $\partial_{i}(x_{j})=\delta_{i=j}.$ The parity of $\partial_{i}$ is $|\partial_{i}|=\bar{0}$ if $i\in\mathbf{I}_{0}$ and $\bar{1}$ if $i\in\mathbf{I}_{1}$. Hereafter the symbol $|x|$ implies that $x$ is a $\mathbb{Z}_{2}$-homogeneous element. Put $W(m,n)=\mathrm{span}_{\mathbb{F}}\left\\{a\partial_{i}\mid a\in\mathcal{O}(m,n),i\in\mathbf{I}\right\\},$ which is a finite dimensional simple Lie superalgebra, called Witt superalgebra. Consider the linear mapping called divergence: $\mathrm{div}:W(m,n)\longrightarrow\mathcal{O}(m,n),\quad\mathrm{div}(f\partial_{i})=(-1)^{|f||\partial_{i}|}\partial_{i}(f).$ Set $S(m,n)=[\overline{S}(m,n),\overline{S}(m,n)]$, where $\overline{S}(m,n)=\ker(\mathrm{div})$. Then we have $S(m,n)=\mathrm{span}_{\mathbb{F}}\left\\{D_{ij}(a)\mid a\in\mathcal{O}(m,n),i,j\in\mathbf{I}\right\\},$ where $D_{ij}(a)=(-1)^{|\partial_{i}||\partial_{j}|}\partial_{i}(a)\partial_{j}-(-1)^{(|\partial_{i}|+|\partial_{j}|)|a|}\partial_{j}(a)\partial_{i}\quad\mbox{for }a\in\mathcal{O}(m,n).$ $S(m,n)$ is a simple Lie superalgebra, called special superalgebra. For $j\in\\{1,\ldots,2\lfloor\frac{m}{2}\rfloor,m+1,\ldots,m+n\\}$, we put $\sigma(j)=\left\\{\begin{array}[]{ll}-1,&j\in\overline{\lfloor\frac{m}{2}\rfloor+1,2\lfloor\frac{m}{2}\rfloor};\\\ 1,&\mbox{ otherwise }\end{array}\right.\mbox{ and }\ j^{\prime}=\left\\{\begin{array}[]{lll}j+\lfloor\frac{m}{2}\rfloor,&j\in\overline{1,\lfloor\frac{m}{2}\rfloor};\\\ j-\lfloor\frac{m}{2}\rfloor,&j\in\overline{\lfloor\frac{m}{2}\rfloor+1,2\lfloor\frac{m}{2}\rfloor};\\\ j,&\mbox{ otherwise}.\end{array}\right.$ Suppose $m=2r$ is even. Define an even linear mapping $D_{H}:\mathcal{O}(m,n)\longrightarrow W(m,n)$ by $D_{H}(a)=\sum_{i\in\mathbf{I}}\sigma(i)(-1)^{|\partial_{i}||a|}\partial_{i}(a)\partial_{i^{\prime}}.$ Put $\overline{H}(m,n)=\mathrm{span}_{\mathbb{F}}\\{D_{H}(a)\mid a\in\mathcal{O}(m,n)\\}.$ Write $\bar{\mathcal{O}}(m,n)$ for the quotient superspace $\mathcal{O}(m,n)/\mathbb{F}\cdot 1$. We can view $D_{H}$ as a linear operator of $\bar{\mathcal{O}}(m,n)$ since the kernel of $D_{H}$ is $\mathbb{F}\cdot 1$. Thus we have $\overline{H}(m,n)\cong(\bar{\mathcal{O}}(m,n),[\;,\;])$, where the bracket is: $[a,b]=D_{H}\left(a\right)\left(b\right)\ \mbox{ for }a,b\in\bar{\mathcal{O}}(m,n).$ Its derived algebra ${H}(m,n)$ is simple, called Hamiltonian Lie superalgebra. Suppose $m=2r+1$ is odd. Define an even linear mapping $D_{K}:\mathcal{O}(m,n)\longrightarrow W(m,n)$ by $D_{K}(a)=D_{H}(a)+\partial_{m}(a)\mathfrak{D}+\Delta(a)\partial_{m},$ where $\mathfrak{D}=\sum_{i\in\mathbf{I}\backslash\\{m\\}}x_{i}\partial_{i}$ and $\Delta(a)=2a-\mathfrak{D}(a)$. Put $\overline{K}(m,n)=\mathrm{span}_{\mathbb{F}}\\{D_{K}(a)\mid a\in\mathcal{O}(m,n)\\}.$ Since $D_{K}$ is injective, we have $\overline{K}(m,n)\cong(\mathcal{O}(m,n),[\;,\;]),$ where the bracket is: $\begin{split}[a,b]&=D_{H}(a)b+\Delta(a)\partial_{m}(b)-\partial_{m}(a)\Delta(b)\ \mbox{ for }a,b\in{\mathcal{O}}(m,n).\end{split}$ Its derived algebra $K(m,n)$ is simple, called contact Lie superalgebra. For simplicity, hereafter, we write $X$ for $X(m,n)$, where $X=\mathcal{O}$, $\bar{\mathcal{O}}$, $W$, $\overline{S}$, $S$, $\overline{H}$, $H$, $\overline{K}$ or $K$. Let us consider the standard $\mathbb{Z}$-grading of $L$, where $L=\mathcal{O}$, $W$, $S$, $\overline{H}$, $H$ or $K$. Define the $\mathbb{Z}$-degrees of $x_{i}$ and $\partial_{i}$ to be $\mathrm{zd}(x_{i})=-\mathrm{zd}(\partial_{i})=1+\delta_{L=K}\delta_{i=m}$, $i\in\mathbf{I}$. Hereafter, the symbol $\mathrm{zd}(x)$ always implies that $x$ is a $\mathbb{Z}$-homogeneous element. Put $\xi=(m+\delta_{L=K})(p-1)+n$. Then we have: $\displaystyle\mathcal{O}=\oplus_{i=-1}^{\xi}\mathcal{O}_{i},\ \ \mathcal{O}_{i}=\mathrm{span}_{\mathbb{F}}\\{f\in\mathcal{O}\mid\mathrm{zd}(f)=i\\};$ $\displaystyle W=\oplus_{i=-1}^{\xi-1}W_{i},\ \ W_{i}=\mathrm{span}_{\mathbb{F}}\\{f\partial_{j}\mid f\in\mathcal{O}_{i+1},\ j\in\mathbf{I}\\};$ $\displaystyle S=\oplus_{i=-1}^{\xi-2}S_{i},\ \ S_{i}=\mathrm{span}_{\mathbb{F}}\\{D_{jk}(f)\in W\mid f\in\mathcal{O}_{i+2},\ j,k\in\mathbf{I}\\};$ $\displaystyle\overline{H}=\oplus_{i=-1}^{\xi-2}H_{i},\ \ H_{i}=\mathrm{span}_{\mathbb{F}}\\{f\mid f\in\mathcal{O}_{i+2}\\};\ H=\oplus_{i=-1}^{\xi-3}H_{i};$ $\displaystyle{K}=\oplus_{i=-2}^{\xi-2-\delta_{n-m-3\equiv 0\;(\mathrm{mod}\;p)}}K_{i},\ \ K_{i}=\mathrm{span}_{\mathbb{F}}\\{f\mid f\in\mathcal{O}_{i+2}\\}.$ We adopt the following conventions: * (1) $L=H$ implies that $m=2r$ is even; $L=K$ implies that $m=2r+1$ is odd. * (2) $K$ can be viewed as a $\mathbb{Z}$-graded subalgebra of $W$ when $\mathrm{zd}(x_{m})=-\mathrm{zd}(\partial_{m})=2$ for $W$. Thus, $L$ is a $\mathbb{Z}$-graded subalgebra of $W$, where $L=S$, $H$ or $K$. * (3) For $L=K$, we write $z$ for $x_{m}.$ * (4) Write $\mathrm{alg}(S)$ for the subalgebra of $L$ generated by a subset $S$. A proper subalgebra $M$ of a $\mathbb{Z}$-graded Lie superalgebra $L$ is called a maximal graded subalgebra (MGS) provided that $M$ is $\mathbb{Z}$-graded and no nontrivial $\mathbb{Z}$-graded subalgebras of $L$ strictly contains $M$. Since $L_{-1}$ is an irreducible $L_{0}$-module, it is clear that $\oplus_{i\geq 0}L_{i}$ is an MGS of $L$. Any other MGS, $M$, must satisfy exactly one of the following conditions: * $\mathrm{(I)}$ $M_{-1}=L_{-1}$ and $M_{0}=L_{0};$ * $\mathrm{(II)}$ $M_{-1}$ is a nontrivial proper subspace of $L_{-1};$ * $\mathrm{(III)}$ $M_{-1}=L_{-1}$ and $M_{0}\neq L_{0}.$ Let $\mathfrak{G}_{0}$ be a subalgebra of $L_{0}$. $\mathfrak{G}_{0}$ is called reducible (resp. irreducible) if the $\mathfrak{G}_{0}$-module $L_{-1}$ is reducible (resp. irreducible). An MGS $\mathfrak{G}=\sum_{i\geq-2}\mathfrak{G}_{i}$ of $L$ is called maximal reducible graded (resp. maximal irreducible graded) if $\mathfrak{G}_{0}$ is reducible (resp. irreducible). ## 2 Preliminary Results In order to simplify our considerations, in this section, we establish some technical lemmas. For $L=H$ or $K$, we redescribe $L$ in an appropriate form and establish a suitable automorphism of $L$ by virtue of a nondegenerate skew supersymmetric bilinear form on $L_{-1}$. As in the case of Lie superalgebras of characteristic 0 [1] or modular Lie algebras [17, 18, 19], it is easy to show the following: ###### Lemma 2.1. Let $L=W,S,H$ or $K$. * $(1)$ $L$ is transitive. * $(2)$ $L$ is generated by its local part, $L=\mathrm{alg}(L_{-1}+L_{0}+L_{1})$. * $(3)$ For the null of $L$, the following conclusions hold: $\displaystyle W(m,n)_{0}\cong\mathfrak{gl}(m,n);\ S(m,n)_{0}\cong\mathfrak{sl}(m,n);$ $\displaystyle H(2r,n)_{0}\cong\mathfrak{osp}(2r,n);\ K(2r+1,n)_{0}\cong\mathfrak{osp}(2r,n)\oplus\mathbb{F}I_{2r+n}.$ When $L=W$ or $S$, we know that $L_{-1}$ is spanned by the standard ordered $\mathbb{F}$-basis $\displaystyle\\{\partial_{i}\mid i\in\mathbf{I}\\}.$ (2.1) For a $\mathbb{Z}_{2}$-graded subspace $V=V_{\bar{0}}\oplus V_{\bar{1}}$ of $L_{-1}$, the super-dimension is denoted by $\mathrm{superdim}V=(\mathrm{dim}V_{\bar{0}},\mathrm{dim}V_{\bar{1}}).$ When $L=H$ or $K$, we redescribe $L$ in a desired form. For $i\in\mathbb{N}\backslash{\\{0\\}}$, write $A_{i}$ for an $i\times i$ matrix, and particularly, let $I_{i}$ be the $i\times i$ unit matrix. Denote by $\sqrt{a}$ a fixed solution of the equation $x^{2}=a$ in $\mathbb{F}$, where $a=-1,2$. Put $y_{i}=\left\\{\begin{array}[]{lll}{x_{i}},&i\in\mathbf{I}_{0}\cup\overline{m+2q+1,m+n};\\\ \frac{x_{i}+\sqrt{-1}x_{i+q}}{\sqrt{2}},&i\in\overline{m+1,m+q};\\\ \frac{x_{i-q}-\sqrt{-1}x_{i}}{\sqrt{2}},&i\in\overline{m+q+1,m+2q},\end{array}\right.$ where $0\leq d\leq n$, $q=\lfloor\frac{n-d}{2}\rfloor$. Then there exists an invertible matrix $A_{m+n}$ such that $(y_{1},\ldots,y_{m+n})A=(x_{1},\ldots,x_{m+n})$. Obviously, $|y_{i}|=|x_{i}|$ and $\mathrm{zd}(y_{i})=\mathrm{zd}(x_{i}),$ $i\in\mathbf{I}$. By [20, Lemma 2.5], we have: $\\{y^{(\alpha)}y^{u}\mid\alpha\in\mathbf{A}(m),\ u\in\mathbf{B}(n)\\}$ is an $\mathbb{F}$-basis of $\mathcal{O}$, where $y^{(\alpha)}=x^{(\alpha)}$ and $y^{u}=y_{i_{1}}y_{i_{2}}\cdots y_{i_{k}}$ when $u=\langle i_{1},i_{2},\ldots,i_{k}\rangle$. The basis-element $y^{(\alpha)}y^{u}$ is called a monomial. Write $(D_{1},\ldots,D_{m+n})=(\partial_{1},\ldots,\partial_{m+n})A^{t}$. Then we have $D_{i}=\left\\{\begin{array}[]{lll}\partial_{i},&i\in\mathbf{I}_{0}\cup\overline{m+2q+1,m+n};\\\ \frac{\partial_{i}-\sqrt{-1}\partial_{i+q}}{\sqrt{2}},&i\in\overline{m+1,m+q};\\\ \frac{\partial_{i-q}+\sqrt{-1}\partial_{i}}{\sqrt{2}},&i\in\overline{m+q+1,m+2q}.\end{array}\right.$ By a direct computation, we have: $D_{i}(y_{j})=\delta_{i=j},\ \ {\sum}_{i\in\mathbf{I}\backslash\\{2r+1\\}}y_{i}D_{i}=\mathfrak{D}.$ When $m=2r$, define an even linear mapping $E_{H}:\mathcal{O}\longrightarrow W$ by $E_{H}(a)={\sum}_{i\in\mathbf{I}}\sigma(i)(-1)^{|D_{i}||a|}D_{i}(a)D_{\widetilde{i}},$ where $\widetilde{i}=\left\\{\begin{array}[]{lll}i^{\prime},&i\in\mathbf{I}_{0}\cup\overline{m+2q+1,m+n};\\\ i+q,&i\in\overline{m+1,m+q};\\\ i-q,&i\in\overline{m+q+1,m+2q}.\end{array}\right.$ When $m=2r+1$, define an even linear mapping $E_{K}:\mathcal{O}\longrightarrow W$ by $\begin{split}E_{K}(a)&=E_{H}(a)+D_{m}(a)\mathfrak{D}+\Delta(a)D_{m}.\end{split}$ A direct computation shows that $D_{L}=E_{L}$. Note that $L_{-1}$ is spanned by the standard ordered $\mathbb{F}$-basis $\displaystyle\\{y_{i}\mid i\in\overline{1,2r}\cup\overline{m+1,m+n}\\}.$ (2.2) Define an even bilinear form $\beta:L_{-1}\times L_{-1}\longrightarrow\mathbb{F}$ satisfying $\beta(u,v)={\sum}_{i\in\mathbf{I}}\sigma(i)(-1)^{|D_{i}||u|}D_{i}(u)D_{\widetilde{i}}(v)\ \mbox{ for }u,v\in L_{-1}.$ Then the matrix of $\beta$ in the ordered basis (2.2) is $J=\left(\begin{tabular}[]{c|c}\begin{tabular}[]{c|c}0&$I_{r}$\\\ \hline\cr$-I_{r}$&0\\\ \end{tabular}&0\\\ \hline\cr 0&\begin{tabular}[]{c|c|c}0&$-I_{q}$&0\\\ \hline\cr$-I_{q}$&0&0\\\ \hline\cr 0&0&$-I_{n-2q}$\end{tabular}\end{tabular}\right).$ (2.3) Clearly, $\beta$ is a nondegenerate skew supersymmetric bilinear form on $L_{-1}$. An $\mathbb{F}$-basis of $L_{-1}$ in which the matrix of $\beta$ is $J$ is called generalized orthosymplectic. Let $V=V_{\bar{0}}\oplus V_{\bar{1}}$ be a subspace of $L_{-1}$. Suppose $2a$ (resp. $d$) is the rank of $\beta$ restricted to $V_{\bar{0}}$ (resp. $V_{\bar{1}}$). A $\mathbb{Z}_{2}$-homogeneous basis of $V$ $\displaystyle\\{e_{1},\ldots,e_{a},e_{r+1},\ldots,e_{r+a};e_{a+1},\ldots,e_{b}\mid e_{m+1},\ldots,e_{m+c};e_{m+n-d+1},\ldots,e_{m+n}\\}$ (2.4) is called a $\beta$-basis of $V$, if $\\{e_{1},\ldots,e_{a},e_{r+1},\ldots,e_{r+a};e_{a+1},\ldots,e_{b}\\},\ 0\leq a\leq b\leq r$ is an $\mathbb{F}$-basis of $V_{\bar{0}}$ satisfying $\beta(e_{i},e_{j})=-\beta(e_{j},e_{i})=\left\\{\begin{array}[]{ll}1,&1\leq i\leq a,j=\widetilde{i};\\\ 0,&\mbox{otherwise}\end{array}\right.$ and $\\{e_{m+1},\ldots,e_{m+c};e_{m+n-d+1},\ldots,e_{m+n}\\},\ 0\leq d\leq n,\ 0\leq c\leq\lfloor\frac{n-d}{2}\rfloor$ is an $\mathbb{F}$-basis of $V_{\bar{1}}$ satisfying $\beta(e_{i},e_{j})=\beta(e_{j},e_{i})=\left\\{\begin{array}[]{ll}-1,&m+n-d+1\leq i=j\leq m+n;\\\ 0,&\mbox{otherwise}.\end{array}\right.$ The 4-tuple $(a,b,c,d)$ is called the $\beta$-dimension of $V$, denoted by $\beta$-$\dim V=(a,b,c,d)$. $V$ is nondegenerate (with respect to $\beta$) if $a=b$ and $c=0$. $V$ is isotropic if $a=0$ and $d=0$. Clearly, for any $\mathbb{Z}_{2}$-graded subspace of $L_{-1}$, there exists a $\beta$-basis of it, which can extend to a generalized orthosymplectic basis of $L_{-1}$. Now, suppose $L=W$, $S$, $H$ or $K$. Put $\mathfrak{V}^{L}=\\{V\mid V\mbox{ is a nontrivial subspace of }L_{-1}\\}.$ $V\in\mathfrak{V}^{L}$ is called a standard element if $V$ is spanned by $\\{\partial_{1},\ldots,\partial_{k}\mid\partial_{m+1},\ldots,\partial_{m+l}\\},$ when $L=W$ or $S$, $0\leq k\leq m$, $0\leq l\leq n$; if $V$ is spanned by $\\{y_{1},\ldots,y_{a},y_{r+1},\ldots,y_{r+a};y_{a+1},\ldots,y_{b}\mid y_{m+1},\ldots,y_{m+c};y_{m+n-d+1},\ldots,y_{m+n}\\},$ when $L=H$ or $K$, $0\leq a\leq b\leq r$, $0\leq d\leq n$, $0\leq c\leq\lfloor\frac{n-d}{2}\rfloor$. Hereafter, for $V,V^{\prime}\in\mathfrak{V}^{L}$, the symbol $V\cong V^{\prime}$ always means $\mathrm{superdim}V=\mathrm{superdim}V^{\prime}$ when $L=W$ or $S$ and means $\beta$-$\dim V=\beta$-$\dim V^{\prime}$ when $L=H$ or $K$. ###### Lemma 2.2. Let $L=W,S,H$ or $K$. Suppose $V$, $V^{\prime}\in\mathfrak{V}^{L}$ satisfying $V\cong V^{\prime}$. Then there exists a $\mathbb{Z}$-homogeneous automorphism ${\Phi}_{L}$ of $L$ such that ${\Phi}_{L}(V)=V^{\prime}$. ###### Proof. Without loss of generality, we may assume that $V$ is a standard element in $\mathfrak{V}^{L}$. When $L=W$ or $S$, suppose $\mathrm{superdim}V=\mathrm{superdim}V^{\prime}=(k,l).$ Let $(E_{1},\ldots,E_{k}\mid E_{m+1},\ldots,E_{m+l})$ be a $\mathbb{Z}_{2}$-homogeneous basis of $V^{\prime}$. It extends to a $\mathbb{Z}_{2}$-homogeneous basis of $W_{-1}$: $(E_{1},\ldots,E_{m}\mid E_{m+1},\ldots,E_{m+n}),$ where $|E_{i}|=|\partial_{i}|$, $i\in\mathbf{I}$. There exists an even invertible matrix $A_{m+n}$ such that $\displaystyle(E_{1},\ldots,E_{m+n})=(\partial_{1},\ldots,\partial_{m+n})A^{t}.$ (2.5) Let $(\xi_{1},\ldots,\xi_{m+n})=(x_{1},\ldots,x_{m+n})A^{-1}$. Consider the mapping $\phi$ such that $\phi(x_{i})=\xi_{i}\quad\mbox{for all }i\in\mathbf{I}.$ Notice that $|x_{i}|=|\xi_{i}|$, since $A$ is even. By [20, Lemma 2.5], $\phi$ can extend to an endomorphism of $\mathcal{O}$, which is still written as $\phi$. Then we have: $\displaystyle(\phi^{-1}(x_{1}),\ldots,\phi^{-1}(x_{m+n}))=(x_{1},\ldots,x_{m+n})A$ (2.6) We denote by ${\Phi}$ the automorphism of $W$ which is induced by $\phi$ according to the formula ${\Phi}(D)=\phi D\phi^{-1}\ \mbox{ for }\ D\in W.$ Clearly, ${\Phi}$ is $\mathbb{Z}$-homogeneous. By (2.5) and (2.6), we have: $\displaystyle\Phi(\partial_{i})=\phi\partial_{i}\phi^{-1}=E_{i}\quad\mbox{for all }i\in\mathbf{I}.$ (2.7) Furthemore, for $D=\sum_{i\in\mathbf{I}}f_{i}\partial_{i}\in W$, one can verify that ${\Phi}(D)=\phi D\phi^{-1}={\sum}_{i,j\in\mathbf{I}}\partial_{i}(\phi^{-1}(x_{j}))\phi(f_{i})\partial_{j}.$ By virtue of (2.5) and (2.7), we have: $\mathrm{div}({\Phi}(D))=\phi(\mathrm{div}D).$ This shows that ${\Phi}({S})={S}$ since $S=[\overline{S},\overline{S}]$. Then $\Phi_{L}=\Phi\big{|}_{L}$ is desired. When $L=H$ or $K$, suppose $\beta$-$\dim V=\beta$-$\dim V^{\prime}=(a,b,c,d)$. Let $\\{e_{i}\mid i\in\overline{1,2r}\cup\overline{m+1,m+n}\\}$ be an extension of $\beta$-basis (2.4) of $V^{\prime}$ to a generalized orthosymplectic basis of $L_{-1}$. Then, there exist two even invertible matrices $\displaystyle A=\left(\begin{array}[]{c|c}A_{2r}&0\\\ \hline\cr 0&A_{n}\end{array}\right)\mbox{ and }A^{\prime}=\left(\begin{array}[]{c|c}\begin{array}[]{c|c}A_{2r}&0\\\ \hline\cr 0&I_{1}\end{array}&0\\\ \hline\cr 0&A_{n}\end{array}\right)$ satisfying $\displaystyle(e_{1},\ldots,e_{2r}\mid e_{m+1},\ldots,e_{m+n})A=(y_{1},\ldots,y_{2r}\mid y_{m+1},\ldots,y_{m+n}),$ $\displaystyle(e_{1},\ldots,e_{2r},e_{2r+1}\mid e_{m+1},\ldots,e_{m+n})A^{\prime}=(y_{1},\ldots,y_{2r},y_{2r+1}\mid y_{m+1},\ldots,y_{m+n}).$ Thus, we obtain that $\displaystyle A^{-1}J(A^{t})^{-1}=J.$ (2.10) By virtue of [20, Lemma 2.5], there exists a unique automorphism of $\mathcal{O}$ denoted by $\phi_{L}$ satisfying $\phi_{L}(y_{i})=e_{i}$, $i\in\mathbf{I}.$ As in the case $L=W$, we denote by $\overline{{\Phi}}_{L}$ the $\mathbb{Z}$-homogeneous automorphism of $W$ which is induced by $\phi_{L}$. From (2.10), we have: $\displaystyle(\overline{{\Phi}}_{H}(D_{1}),\ldots,\overline{{\Phi}}_{H}(D_{m+n}))=(D_{1},\ldots,D_{m+n})A^{t}.$ (2.11) $\displaystyle(\overline{{\Phi}}_{K}(D_{1}),\ldots,\overline{{\Phi}}_{K}(D_{m+n}))=(D_{1},\ldots,D_{m+n})A^{\prime t}.$ (2.12) For any $D=\sum_{i\in\mathbf{I}\backslash\\{2r+1\\}}f_{i}D_{i}\in W$ and $fD_{2r+1}\in W$, from (2.10)-(2.12) we have: $\displaystyle\overline{{\Phi}}_{L}(D)={\sum}_{i\in\mathbf{I}\backslash\\{2r+1\\}}\phi_{L}(f_{i})\overline{{\Phi}}_{L}(D_{i}),$ (2.13) $\displaystyle\overline{{\Phi}}_{K}(fD_{2r+1})=\phi_{K}(f)D_{2r+1}.$ (2.14) For any $f\in\mathcal{O}$, we have: $\displaystyle\overline{{\Phi}}_{K}(D_{2r+1}(f)\mathfrak{D})=D_{2r+1}(\phi_{K}(f))\mathfrak{D}.$ (2.15) $\displaystyle\overline{{\Phi}}_{K}((2-\mathfrak{D})(f)D_{2r+1})=(2-\mathfrak{D})\phi_{K}(f)D_{2r+1}.$ (2.16) By virtue of (2.10)-(2.16), we have: $\overline{{\Phi}}_{L}(E_{L}(f))=E_{L}(\phi_{L}(f))\ \mbox{ for any }f\in\mathcal{O}.$ It follows that $\overline{\Phi}_{L}({L})={L}$ since $L=[\overline{L},\overline{L}]$. Then $\Phi_{L}=\overline{\Phi}_{L}\big{|}_{L}$ is desired. ∎ For convenience, we introduce the following notations. Let $L=W$ or $S$. For any $V\in\mathfrak{V}^{L}$ with $\mathrm{superdim}V=(k,l)$, put $\displaystyle\mathbf{I}(k,l)=\overline{1,k}\cup\overline{m+1,m+l},\qquad\overline{\mathbf{I}}(k,l)=\mathbf{I}\backslash\mathbf{I}(k,l),$ If $V$ is standard, we have: $V=\mathrm{span}_{\mathbb{F}}\\{\partial_{i}\mid i\in\mathbf{I}(k,l)\\}.$ (2.17) Let $L=H$ or $K$. For any $V\in\mathfrak{V}^{L}$ with $\beta$-$\dim V=(a,b,c,d)$, put $\displaystyle I_{01}=\overline{1,a};\ \bar{I}_{01}=\overline{r+1,r+a};\ I_{02}=\overline{a+1,b};\ \bar{I}_{02}=\overline{r+a+1,r+b};$ $\displaystyle{I}_{11}=\overline{m+n-d+1,m+n};\ {I}_{12}=\overline{m+1,m+c};\ \bar{I}_{12}=\overline{m+q+1,m+q+c};$ $\displaystyle{I}_{03}=\overline{b+1,r}\cup\overline{r+b+1,m};\ {I}_{13}=\overline{m+c+1,m+q}\cup\overline{m+q+c+1,m+n-d}.$ (2.18) Obviously, $\mathbf{I}=J_{1}\cup J_{2}\cup\bar{J}_{2}\cup J_{3},$ where $\displaystyle J_{1}={I}_{01}\cup\bar{I}_{01}\cup{I}_{11},\ \ J_{2}={I}_{02}\cup{I}_{12},\ \ \bar{J}_{2}=\bar{I}_{02}\cup\bar{I}_{12}\ \mbox{ and }\ J_{3}={I}_{03}\cup{I}_{13}.$ (2.19) We call $J_{i}$ to be single (resp. twinned) if $\mathbf{I}_{0}\cap J_{i}=\emptyset$ and there exists only one element in $\mathbf{I}_{1}\cap J_{i}$ (resp. there exist two elements in $\mathbf{I}_{1}\cap J_{i})$, $i=1,3$. If $V$ is standard, we have: $V=\mathrm{span}_{\mathbb{F}}\\{y_{i}\mid i\in J_{1}\cup J_{2}\\}.$ (2.20) For any $i\in\mathbf{I}$, let us assign to each $y_{i}$ a value as follows: $\nu(y_{i})=\left\\{\begin{array}[]{llll}1&i\in J_{1};\\\ 0&i\in J_{2};\\\ \frac{1}{3}&i\in\bar{J}_{2};\\\ 2&i\in J_{3}.\end{array}\right.$ (2.21) If $a=y_{1}^{\alpha_{1}}y_{2}^{\alpha_{2}}\cdots y_{m}^{\alpha_{m}}y^{u}$, define $\nu(a)=\prod_{i\in\mathbf{I}_{0}}\nu(y_{i})^{\alpha_{i}}\prod_{i\in u}\nu(y_{i}).$ ###### Remark 2.3. Let $T$ be a torus of $L$, $L=W,S,H$ or $K$. Consider the weight space decompositions with respect to $T$: $\displaystyle L=L^{\theta}\oplus\oplus_{\gamma\in\Delta}L^{\gamma},\ \ L_{i}=L_{i}^{\theta}\oplus\oplus_{\gamma\in\Delta_{i}}L^{\gamma}_{i},$ where $\Delta_{i}\subset\Delta\subset T^{*}$ and $\theta$ is the zero weight. Notice the standard facts below. * $(1)$ For $t\in T$, suppose $x=x_{1}+x_{2}+\cdots+x_{n}\in L$ is a sum of eigenvectors of $\mathrm{ad}t$ associated with mutually distinct eigenvalues. Then all $x_{i}$’s lie in $\mathrm{alg}(\\{t,x\\})$. * $(2)$ $T=\mathrm{span}_{\mathbb{F}}\\{y_{i}y_{\widetilde{i}}\mid i\in\overline{1,r}\cup\overline{m+1,m+q}\\}$ is a torus of $L$, $L=H$ or $K$, where $0\leq d\leq n$, $q=\lfloor\frac{n-d}{2}\rfloor$. Define $\epsilon_{j}$ to be the linear function on $T$ by $\epsilon_{j}(y_{i}y_{\widetilde{i}})=\delta_{j{\widetilde{i}}}-\delta_{ji}.$ For $i,j,k\in\mathbf{I}\backslash\\{\\{2r+1\\}\cup\overline{m+2q+1,m+n}\\}$, if $\epsilon_{i}+\epsilon_{j}\in\Delta_{0}$, we have: $\dim L^{\epsilon_{i}}_{-1}=1;\ \ \dim L^{\epsilon_{i}+\epsilon_{j}}_{0}=1;\ \ L^{\epsilon_{k}}_{0}={\sum}_{l=m+2q+1}^{m+n}\mathbb{F}y_{k}y_{l}.$ ## 3 MGS of Type (I) To formulate the MGS of type $(\textrm{I})$, we introduce the following notations. For $i\geq 1$, write $L_{i}^{\prime}=\overline{S}_{i}=\\{D\in L_{i}\mid\mathrm{div}D=0\\}\quad\mbox{and}\quad L_{i}^{\prime\prime}=\\{f\mathfrak{D}\mid f\in\mathcal{O}_{i}\\},$ (3.22) where $L=W$ or $S$, $\mathfrak{D}$ is the degree derivation of $\mathcal{O}$; that is, $\mathfrak{D}=\sum_{k\in\mathbf{I}}x_{k}\partial_{k}$. Clearly, both $W_{i}^{\prime}$ and $W_{i}^{\prime\prime}$ are nontrivial subspaces of $W_{i}$. For $i\geq 0$, write $K_{ij}=\big{\\{}u\in K_{i}\mid u=fz^{j},f\in\mathcal{O}_{i+2-2j},[1,f]=0\big{\\}}.$ Clearly, $K_{ij}$ is a nontrivial subspace of $K_{i}$. ###### Theorem 3.1. All MGS of type $\mathrm{(I)}$ are characterized as follows: * $\mathrm{(1)}$ If $m-n+1\equiv 0\pmod{p}$ then $W$ has exactly one MGS of type $\mathrm{(I)}:$ $W_{-1}+W_{0}+W_{1}^{\prime}+W_{2}^{\prime}+\cdots+W_{\xi-2}^{\prime}$ with dimension $(m+n-1)2^{n}p^{m}+2$; If $m-n+1\not\equiv 0\pmod{p}$ then $W$ has exactly two MGS of type $\mathrm{(I)}:$ $W_{-1}+W_{0}+W_{1}^{\prime\prime}\quad\mbox{and}\quad W_{-1}+W_{0}+W_{1}^{\prime}+W_{2}^{\prime}+\cdots+W_{\xi-2}^{\prime}$ with dimensions $(m+n)(m+n+2)$ and $(m+n-1)2^{n}p^{m}+2$, respectively. * $\mathrm{(2)}$ If $m-n+1\equiv 0\pmod{p}$ then $S$ has exactly one MGS of type $\mathrm{(I)}:$ $S_{-1}+S_{0}+S_{1}^{\prime\prime}$ with dimension $(m+n)^{2}+2(m+n)-1$; If $m-n+1\not\equiv 0\pmod{p}$ then $S$ has exactly one MGS of type $\mathrm{(I)}:$ $S_{-1}+S_{0}$ with dimension $(m+n)^{2}+(m+n)-1$. * $\mathrm{(3)}$ $H$ has exactly one MGS of type $\mathrm{(I)}:$ $H_{-1}+H_{0}$ with dimension $(m+n)^{2}+m$. * $\mathrm{(4)}$ $K$ has exactly two MGS of type $\mathrm{(I)}:$ $K_{-2}+K_{-1}+K_{0}+{\sum}_{i=1}^{2r(p-1)+n}K_{i0}\ \mbox{ and }\ K_{-2}+K_{-1}+K_{0}+K_{11}+K_{22}$ with dimensions $2^{n}p^{2r}+1$ and $(2r+n)^{2}+4r+n+3$, respectively. We note that many preliminary results in this section are analogous to the ones of Lie algebras (see [16, 17, 18]). We will need the following formulas which are easy to verify by direct calculations. ###### Lemma 3.2. For $f\in\mathcal{O}_{s}$ and $g\in\mathcal{O}_{t},$ $\displaystyle\mathrm{div}(f\mathfrak{D})=(m-n+s)f\quad\mbox{for}~{}f\in\mathcal{O}_{s},$ $\displaystyle[f\mathfrak{D},g\mathfrak{D}]=(t-s)fg\mathfrak{D}.$ (3.23) ###### Lemma 3.3. The following statements hold. * $(1)$ $W_{s}^{\prime}$ and $W^{\prime\prime}_{s}$ are $W_{0}$-submodules of $W_{s}$. Moreover, $W_{s}^{\prime\prime}$ is irreducible. * $(2)$ If $m-n+s\not\equiv 0\pmod{p}$ then $W_{s}=W_{s}^{\prime}\oplus W_{s}^{\prime\prime}$; * $(3)$ If $m-n+s\equiv 0\pmod{p}$ then $W_{s}^{\prime\prime}\subset W_{s}^{\prime}$. ###### Proof. Note that $\mathrm{div}$ is a derivation from $W$ to $\mathcal{O}$ as $W$-module. Thus, (1), (2) and (3) hold by virtue of Lemma 3.2. ∎ Below, the $1$-component $W_{1}$ will be a focus of our attention. For convenience, we introduce two concepts, by which our arguments are largely simplified: An element $\mathscr{L}$ in $W_{1}$ is called a leader if it is of the form $\displaystyle\mathscr{L}=x_{1}^{2}\partial_{1}+{\sum}_{i=2}^{m+n}f_{i}\partial_{i}\quad\mbox{where}\;f_{i}\in\mathcal{O}_{2};$ An element in $W_{1}$ is called $1$-defective if it is of the form ${\sum}_{i=2}^{m+n}f_{i}\partial_{i}\ \mbox{ where }f_{i}\in\mathcal{O}_{2}.$ ###### Lemma 3.4. Let $D\in W_{1}$. * $(1)$ $[x_{1}\partial_{j},D]=0$ for all $j\geq 2$ if and only if $D=\lambda x_{1}\mathfrak{D}+x_{1}^{2}\sum_{j\geq 2}k_{j}\partial_{j}$ for some $\lambda,k_{j}\in\mathbb{F}.$ * $(2)$ $[x_{1}\partial_{j},D]\in W_{1}^{\prime\prime}$ for all $j\geq 2$ if and only if $D=f\mathfrak{D}+x_{1}^{2}\sum_{j\geq 2}k_{j}\partial_{j}$ for some $f\in\mathcal{O}_{1}$ and $k_{j}\in\mathbb{F}.$ ###### Proof. (1) Suppose $[x_{1}\partial_{j},D]=0$ for all $j\geq 2$ and write $D=\sum_{i}a_{i}\partial_{i}$. Then $x_{1}\partial_{j}(a_{i})-\delta_{i=j}(-1)^{|x_{1}\partial_{j}||a_{1}\partial_{1}|}a_{1}=0\quad\mbox{for all}\;j\geq 2.$ (3.24) Then $a_{1}=kx_{1}^{2}$ for some $k\in\mathbb{F}.$ If $k=0$, it follows from (3.24) that $\partial_{j}(a_{i})=0$ for all $j,i\geq 2$. That is, $a_{j}=k_{j}x_{1}^{2}$ for all $j\geq 2.$ Hence $D=x_{1}^{2}\sum_{j\geq 2}k_{j}\partial_{j}.$ If $k\neq 0$ then write $a_{1}=x_{1}^{2}.$ From (3.24) one deduces $\partial_{j}(a_{i})=\delta_{i=j}x_{1}\quad\mbox{for all}\;i,j\geq 2.$ It follows that $a_{j}=k_{j}x_{1}^{2}+x_{1}x_{j}$ for $j\geq 2$ and one direction holds. The other one is clear. (2) Write $[x_{1}\partial_{j},D]=f_{j}\mathfrak{D}$, $f_{j}\in\mathcal{O}_{1},$ $j\geq 2.$ By acting on $x_{i}$ with $i\neq 1,j,$ we have $x_{1}[\partial_{j},D](x_{i})=f_{j}x_{i}$ and then $f_{j}=k_{j}x_{1}$ for some $k_{j}\in\mathbb{F}.$ Thus $[x_{1}\partial_{j},D]=k_{j}x_{1}\mathfrak{D}\quad\mbox{for all}\;j\geq 2.$ (3.25) Since $[x_{1}\partial_{j},x_{i}\mathfrak{D}]=\delta_{i=j}x_{1}\mathfrak{D},$ from (3.25) we have $\left[x_{1}\partial_{j},D-\left(\sum_{i\geq 2}k_{i}x_{i}\right)\mathfrak{D}\right]=0$ for all $j\geq 2.$ Now the conclusion follows from (1). ∎ ###### Lemma 3.5. Let $M$ be a nonzero $W_{0}$-submodule of $W_{1}.$ * $\mathrm{(1)}$ $M$ contains a leader. * $\mathrm{(2)}$ If $M$ contains a leader which does not lie in $W_{1}^{\prime\prime}$ then $M$ contains a nonzero 1-defective element. * $\mathrm{(3)}$ If $M$ contains a nonzero $1$-defective element then $M\supset W_{1}^{\prime}$. In particular, as $W_{0}$-module, $W_{1}^{\prime}$ is generated by $x_{1}^{2}\partial_{j}$ for any fixed $j\geq 2$. * $\mathrm{(4)}$ As $W_{0}$-module, $W_{1}$ is generated by $x_{1}^{2}\partial_{1}.$ * $\mathrm{(5)}$ Any nonzero $W_{0}$-submodule of $W_{1}$ different from $W_{1}^{\prime\prime}$ must contain $W_{1}^{\prime}.$ ###### Proof. (1), (3) and (4) need only a straightforward verification. (2) Let $D=x_{1}^{2}\partial_{1}+\cdots$ be a leader in $M\setminus W_{1}^{\prime\prime}$. Then $[x_{1}\partial_{j},D]\in M$ are 1-defective for all $j\geq 2.$ If they are not all zero, we are done. Otherwise, by Lemma 3.4(1), $D=x_{1}\mathfrak{D}+x_{1}^{2}\sum_{j\geq 2}k_{j}\partial_{j}$ for some $k_{j}\in\mathbb{F}.$ Clearly, $\sum_{j\geq 2}k_{j}\partial_{j}\neq 0,$ say, $k_{2}\neq 0.$ Consequently, $x_{1}^{2}\partial_{2}=k_{2}^{-1}[x_{2}\partial_{2},D]\in M$. (5) Let $M$ be a nonzero $W_{0}$-submodule and $M\neq W_{1}^{\prime}$. Let us show that $M\supset W_{1}^{\prime}.$ By (1), (2) and (3) we may assume that all the leaders of $M$ lie in $W^{\prime\prime}$. Then $W^{\prime\prime}\subset M,$ since $W^{\prime\prime}$ as $W_{0}$-module is irreducible by Lemma 3.3(1). For $D\in M\setminus W^{\prime\prime}$, if there is some $i\geq 2$ such that $E=[x_{1}\partial_{i},D]\not\in W^{\prime\prime},$ then $[x_{1}\partial_{j},E]$ is a leader or 1-defective for any $j\geq 2$. By (3), one may assume that there is $D\in M\setminus W^{\prime\prime}$ which is pulled into $W^{\prime\prime}$ by any $x_{1}\partial_{j}$ with $j\geq 2.$ Then by Lemma 3.4(2), $M$ contains a nonzero 1-defective element and then $M\supset W^{\prime}.$ ∎ ###### Lemma 3.6. The following statements hold. * $\mathrm{(1)}$ $W_{1}^{\prime}$ is a maximal $W_{0}$-submodule of $W_{1}$. * $\mathrm{(2)}$ If $m-n+1\not\equiv 0\pmod{p}$, $W_{0}$-module $W_{1}^{\prime}$ is irreducible. In particular, $W_{1}$ has a decomposition of irreducible $W_{0}$-submodules: $W_{1}=W_{1}^{\prime}\oplus W_{1}^{\prime\prime}.$ * $\mathrm{(3)}$ If $m-n+1\equiv 0\pmod{p}$, $W_{1}$ has exactly a composition series of $W_{0}$-submodules: $0\subset W_{1}^{\prime\prime}\subset W_{1}^{\prime}\subset W_{1}.$ ###### Proof. (1) Let $M$ be a submodule of $W_{1}$ containing strictly $W_{1}^{\prime}$. Note that $\mathrm{div}:\mathrm{span}_{\mathbb{F}}\\{x_{1}x_{1}\partial_{1},x_{2}x_{1}\partial_{1},\ldots,x_{m+n}x_{1}\partial_{1}\\}\longmapsto\mathcal{O}_{1}$ is surjective. Pick any $D\in M\setminus W_{1}^{\prime}$. Then there exists $E=fx_{1}\partial_{1},$ $f\in\mathcal{O}_{1},$ such that $\mathrm{div}E=\mathrm{div}D$. That is, $E-D\in W_{1}^{\prime}\subset M$ and then $0\neq E\in M.$ If $\partial_{j}(f)=0$ for all $j\geq 2$ then $E=\partial_{1}(f)x_{1}^{2}\partial_{1}$ and hence $M=W_{1}$ by Lemma 3.5(4). Suppose $\partial_{j}(f)\neq 0$ for some $j\neq 1.$ Then $x_{j}x_{1}\partial_{1}={\partial_{j}(f)^{-1}}[x_{j}\partial_{j},E]\in M$. It follows that $x_{1}^{2}\partial_{1}-(-1)^{|\partial_{j}|}x_{j}x_{1}\partial_{j}=[x_{1}\partial_{j},x_{j}x_{1}\partial_{1}]\in M.$ Note that $\frac{1}{2}x_{1}^{2}\partial_{1}-(-1)^{|\partial_{j}|}x_{j}x_{1}\partial_{j}$ is in $W_{1}^{\prime}\subset W.$ It follows that $x_{1}^{2}\partial_{1}\in M$ and $M=W_{1}$ by Lemma 3.5(4), showing that $W_{1}^{\prime}$ is maximal. (2) and (3) are immediate consequences of Lemmas 3.3 and 3.5(5). ∎ ###### Corollary 3.7. The following statements hold. * $\mathrm{(1)}$ If $m-n+1\not\equiv 0\pmod{p}$ then $S_{1}$ is an irreducible $S_{0}$-module. * $\mathrm{(2)}$ If $m-n+1\equiv 0\pmod{p}$ then $S_{1}^{\prime\prime}$ is the unique nontrivial $S_{0}$-submodule of $S_{1}$. ###### Proof. Note that $W_{0}=S_{0}+\mathbb{F}\mathfrak{D}$ and that $W^{\prime}_{1}=S_{1}$. If $m-n+1\equiv 0\pmod{p}$ then $S_{1}^{\prime\prime}=W_{1}^{\prime\prime}$. The lemma follows directly from Lemma 3.6. ∎ ###### Lemma 3.8. $\\{D\in W_{2}\mid[W_{-1},D]\subset W_{1}^{\prime\prime}\\}=0.$ ###### Proof. Write $D=\sum_{i\in\mathbf{I}}a_{i}\partial_{i}\in W_{2}$ and suppose $D$ is pulled into $W_{1}^{\prime\prime}$ by $W_{-1}$. Then, each $a_{i}$ must be a multiple of $x_{i}^{2}$ and in particular, $a_{j}=0$ for all $j>m.$ Write $D=\sum_{i\leq m}f_{i}x_{i}^{2}\partial_{i}$, where $f_{i}\in\mathcal{O}_{1}.$ Since $[\partial_{j},D]\in W_{1}^{\prime\prime}$, one deduces that $\partial_{j}(f_{i})=0$ for $j>m$ and $i\leq m.$ Now it is clear that $D$ is not in $W_{1}^{\prime\prime}$ unless it is zero. ∎ Let $\displaystyle M^{\prime}=W_{-1}+W_{0}+W_{1}^{\prime}+W_{2}^{\prime}+\cdots+W_{\xi-2}^{\prime},$ $\displaystyle M^{\prime\prime}=W_{-1}+W_{0}+W_{1}^{\prime\prime}.$ Using (3.23) and keeping in mind that $\mathrm{div}$ is a derivation from $W$ to $\mathcal{O}$, one may verify that $M^{\prime}$ and $M^{\prime\prime}$ are subalgebras of $W$. ###### Lemma 3.9. Suppose $M$ is a proper subalgebra containing $W_{-1}\oplus W_{0}\oplus W_{1}^{\prime}.$ Then $M\subset M^{\prime}$. ###### Proof. Assume conversely that $M\not\subset M^{\prime}$. Then there exists $D\in M\cap\sum_{i\geq 1}W_{i}$ satisfying $\mathrm{div}D\not=0$. Using the formula $\mathrm{div}[\partial_{j},D]=\partial_{j}(\mathrm{div}D)$ for all $j\in\mathbf{I}$, one sees that $M\supset W_{1}$ by Lemma 3.6(1). By Lemma 2.1(2), $M=W$, a contradiction. ∎ Proof of (1) and (2) in Theorem 3.1 (1) Claim A: $M^{\prime}$ is maximal. This follows immediately from Lemma 3.9. Claim B: $M^{\prime\prime}$ is maximal if $m-n+1\not\equiv 0\pmod{p}.$ Let $M$ be a subalgebra strictly containing $M^{\prime\prime}$. By transitivity and Lemma 3.8, $M\cap W_{1}$ must strictly contain $W_{1}^{\prime\prime}$. Lemma 3.6(2) forces $M\supset W_{1}$ and therefore, $M=W$ by Lemma 2.1(2). Claim C: $M^{\prime}$ and $M^{\prime\prime}$ exhaust all the maximal subalgebras of type (I). Let $M$ be a maximal subalgebra of type (I). By transitivity, $M$ must contain a nonzero element of $W_{1}$ and therefore, $M\cap W_{1}\neq 0$ is a nonzero $W_{0}$-submodule of $W_{1}$. By Lemma 3.5(5), we have $M\cap W_{1}=W_{1}^{\prime\prime}$ or $M\cap W_{1}\supset W_{1}^{\prime}$. Case 1. Suppose $m-n+1\not\equiv 0\pmod{p}.$ If $M\cap W_{1}=W_{1}^{\prime\prime}$ then Claim B forces $M=M^{\prime\prime}.$ Suppose $M\cap W_{1}\supset W_{1}^{\prime}$. By Lemma 3.9, we have $M\subset M^{\prime}$ and then $M=M^{\prime}$ by the maximality of $M$. Case 2. Suppose $m-n+1\equiv 0\pmod{p}.$ We have $M\supset W^{\prime\prime}$. Since $W^{\prime\prime}\subsetneq W^{\prime}$ in this situation, one sees $M\supsetneq W^{\prime\prime}$. By transitivity and Lemma 3.8, $M\cap W_{1}\supsetneq W_{1}^{\prime\prime}$ and hence $M\cap W_{1}\supset W_{1}^{\prime}$ by Lemma 3.5(5). It follows from Lemma 3.9 that $M=M^{\prime}.$ This completes the proof of (1). (2) First of all, $S_{-1}+S_{0}$ and $S_{-1}+S_{0}+S_{1}^{\prime\prime}$ ($m+n-1\equiv 0\pmod{p}$) are subalgebras of $S$. Let $M$ be a maximal subalgebra of $S$ containing $S_{-1}+S_{0}$. Note that $W_{1}^{\prime\prime}=S_{1}^{\prime\prime}$ when $m-n+1\equiv 0\pmod{p}$. By the transitivity of $S$, Lemmas 2.1(2), 3.8 and Corollary 3.7, we obtain that $M=S_{-1}+S_{0}+S_{1}^{\prime\prime}$ when $m+n-1\equiv 0\pmod{p}$; $M=S_{-1}+S_{0}$ when $m+n-1\not\equiv 0\pmod{p}$. The process shows also that these two subalgebras are indeed maximal. This completes the proof of (2). ∎ ###### Remark 3.10. For $W$ and $S$, the arguments for MGS of the other types will be reduced to the case of type $\mathrm{(I)}$ MGS by the method of minimal counterexample. ###### Lemma 3.11. The following statements hold. * $\mathrm{(1)}$ $H_{1}$ is an irreducible $H_{0}$-module. * $\mathrm{(2)}$ For $i\geq 0$, $K_{i}$ is a direct sum of $K_{0}$-submodules $K_{ij}$. Moreover, $K_{10}$ and $K_{11}$ are irreducible $K_{0}$-modules. ###### Proof. Using the results in the case of modular Lie algebras [17] and by a direct computation, it is easy to show that (1) holds. Since $K_{10}\cong H_{1}$ and $K_{11}\cong H_{-1}$ as $H_{0}$-modules, by irreducibilities of $H_{-1}$ and $H_{1}$, (2) holds. ∎ Let $\displaystyle M^{\prime}=K_{-2}+K_{-1}+K_{0}+{\sum}_{i=1}^{2r(p-1)+n}K_{i0},$ $\displaystyle M^{\prime\prime}=K_{-2}+K_{-1}+K_{0}+K_{11}+K_{22}.$ By a standard and direct computation, one may verify that $M^{\prime}$ and $M^{\prime\prime}$ are subalgebras of $K$. Proof of (3) and (4) in Theorem 3.1 (3) This statement follows immediately from Lemmas 2.1(2) and 3.11(1). (4) Claim A: $M^{\prime}$ is maximal. For any $0\not=u\in K$, $u\not\in M^{\prime}$, put $\overline{M}=\mathrm{alg}(M^{\prime}+\mathbb{F}{u})$. Note that there exist $k\in\mathbb{N}$ and $v_{1},\ldots,v_{s}\in K_{-1}$ such that $0\not=u_{1}=fz+\alpha z^{2}=[v_{1},[\cdots[v_{s},(\mathrm{ad}1)^{k}u]\cdots]]\in\overline{M}\backslash M^{\prime},$ where $f\in\mathcal{O}$ satisfying $[1,f]=0$ and $\alpha\in\mathbb{F}$. Then there exists $i\in\mathbf{I}$ such that $[y_{\widetilde{i}},u_{1}]-y_{\widetilde{i}}f\not=0$. It follows that $0\not=(\sigma(\widetilde{i})(-1)^{i}D_{i}(f)+\alpha y_{\widetilde{i}})z\in\overline{M}.$ From Lemma 2.1(1), there exists a nonzero element in $\overline{M}\cap K_{11}.$ By Lemmas 2.1(2) and 3.11(2), we have $\overline{M}=K$. Thus $M^{\prime}$ is maximal. Claim B: $M^{\prime\prime}$ is maximal. For any $0\not=u\in K$, $u\not\in M^{\prime\prime}$, put $\overline{M}=\mathrm{alg}(M^{\prime\prime}+\mathbb{F}{u})$. It is sufficient to show that there exists a nonzero element in $K_{10}\cap\overline{M}$. When $\mathrm{zd}(u)>2$, by transitivity, there exist $v_{1},\ldots,v_{s}\in K_{-1}$ such that $0\not=u_{3}=u_{30}+u_{31}+u_{32}=[v_{1},[\cdots[v_{s},u]\cdots]]\in\overline{M},$ where $u_{3i}\in K_{3i}$, $i=0,1,2$. Note that $[1,u_{32}]\in K_{11}$. If $u_{31}\not=0$, then $0\not=[1,u_{31}]=[1,u_{3}-u_{30}-u_{32}]\in\overline{M}\cap K_{10}.$ If $u_{31}=0$, there exists $j\in\mathbf{I}$ such that $0\not=u_{2}=\sigma(\widetilde{j})(-1)^{j}D_{j}(u_{30})+y_{\widetilde{j}}D_{2r+1}(u_{32})\in\overline{M}\backslash{M^{\prime\prime}},$ Note that $\mathrm{zd}(u_{2})=2$. Thus, it remains to consider the case $\mathrm{zd}(u)=2$. Assume that $u=u_{20}+u_{21}$, where $u_{2i}\in K_{2i}$, $i=0,1$. If $u_{21}=0$ the conclusion follows. Notice that ${H_{0}}\cong K_{21}$ as $H_{0}$-module. If $u_{21}\not=0$, by Remark 2.3 and a direct computation, we obtain that there exists $i\in\mathbf{I}_{0}$ such that $u_{2}=u^{\prime}_{20}+y^{(2\varepsilon_{i})}z\in\overline{M}$, where $u^{\prime}_{20}\in K_{20}.$ Since $[K_{-1},u_{2}]\subset\overline{M}$, there exists $j\in\mathbf{I}$ such that $0\not=\sigma(\widetilde{j})(-1)^{j}D_{j}(u^{\prime}_{20})+y_{\widetilde{j}}y^{(2\varepsilon_{i})}\in\overline{M}\cap K_{10}.$ Thus the conclusion holds. Claim C: $M^{\prime}$ and $M^{\prime\prime}$ exhaust all the maximal graded subalgebras of type $\mathrm{(I)}$. Suppose $N$ is a maximal graded subalgebra of $K$ containing $K_{-1}+K_{0}$. By transitivity, there exists $0\not=D=D_{10}+D_{11}\in N$, where $D_{1i}\in K_{1i}$, $i=0,1$. Since $N\subsetneq K$, we claim that $D_{11}=0$ or $D_{10}=0$. Indeed, if $D_{11}\not=0$ and $D_{10}\not=0$, by the irreducibility of $K_{10}$, we have $w=y^{(2\varepsilon_{1})}y_{\widetilde{1}}+{\sum}_{i=1}^{2r+n}\alpha_{i}y_{i}z\in N,\ \alpha_{i}\in\mathbb{F}.$ We consider the following cases. Case 1. For all $i$, $\alpha_{i}=0$. Obviously, $N=K$ by the irreducibility of $K_{1i}$ and $D_{1i}\not=0$, $i=0,1.$ Case 2. There exists $k$ such that $\alpha_{k}\not=0.$ If $k\not=1,\widetilde{1}$, for $\widetilde{k}\not=j\in\mathbf{I}_{1}$, we have: $0\not=[y_{j}y_{\widetilde{k}},w]\in N\cap K_{11}.$ Similar to Case 1, we have $N=K$. If $k=1$ or $\widetilde{1}$, then $w=y^{(2\varepsilon_{1})}y_{\widetilde{1}}+\alpha_{1}y_{1}z+\alpha_{\widetilde{1}}y_{\widetilde{1}}z$. For $j\in\mathbf{I}_{1}$, we have: $y_{j}y_{1}y_{\widetilde{1}}=[[y_{j}y_{1},w],y^{(2\varepsilon_{\widetilde{1}})}]\in N\cap K_{10}.$ Similar to Case 1, we have $N=K$. Consequently, $N=M^{\prime}$ when $D_{11}=0$ and $N=M^{\prime\prime}$ when $D_{10}=0$. ∎ ## 4 MGS of Type (II) Let $L=W,S,H$ or $K$. Recall $\mathfrak{V}^{L}=\\{V\mid V\mbox{ is a nontrivial subspace of }L_{-1}\\}.$ To describe the MGS of type $(\textrm{II})$ of $L$, for any $V\in\mathfrak{V}^{L}$, we define $\mathcal{M}(V)=\oplus_{i\geq-2}\mathcal{M}_{i}(V),$ where $\displaystyle\mathcal{M}_{-1}(V)=V;\ \ \mathcal{M}_{-2}(V)=[\mathcal{M}_{-1}(V),\mathcal{M}_{-1}(V)];$ $\displaystyle\mathcal{M}_{i}(V)=\\{u\in L_{i}\mid[V,u]\subset\mathcal{M}_{i-1}(V)\\}\qquad\mbox{for}\;i\geq 0.$ (4.26) ###### Theorem 4.1. Suppose $L=W$ or $S$. All MGS of type $\mathrm{(II)}$ of $L$ are characterized as follows: * $\mathrm{(1)}$ All MGS of type $\mathrm{(II)}$ of $L$ are precisely: $\\{\mathcal{M}(V)\mid V\in\mathfrak{V}^{L}\\}.$ * $\mathrm{(2)}$ For any $V$ and $V^{\prime}$ in $\mathfrak{V}^{L}$, $\mathcal{M}(V)\stackrel{{\scriptstyle\mathrm{algebra}}}{{\cong}}\mathcal{M}(V^{\prime})\Longleftrightarrow V{\cong}V^{\prime}.$ * $\mathrm{(3)}$ $L$ has exactly $(m+1)(n+1)-2$ isomorphism classes of MGS of type $\mathrm{(II)}$. * $\mathrm{(4)}$ If $\mathrm{superdim}V=(k,l),$ then $\displaystyle\mathrm{dim}\mathcal{M}(V)=\left\\{\begin{array}[]{ll}2^{n}p^{m}(m+n)-2^{l}p^{k}(m+n-k-l),&L=W;\\\ 2^{n}p^{m}(m+n-1)+1-2^{l}p^{k}(m+n-k-l),&L=S.\end{array}\right.$ When $L=H$ or $K$, recall definitions (2.18)-(2.20) mentioned in Section 2. Put $\displaystyle\mathcal{V}^{L}=\left\\{V\in\mathfrak{V}^{L},\mbox{ satisfying }J_{3}\mbox{ is neither single nor twinned}\right\\};$ $\displaystyle\mathcal{W}^{K}=\left\\{V\in\mathfrak{V}^{K},\mbox{ satisfying }J_{3}\mbox{ is not twinned}\right\\}.$ Suppose $V\in\mathfrak{V}^{K}$ is isotropic. Put $\mathcal{M}^{K}(1,V)=\oplus_{i\geq-2}\mathcal{M}_{i}^{K}(1,V),$ where $\displaystyle\mathcal{M}^{K}_{-2}(1,V)=\mathbb{F};\ \ \mathcal{M}^{K}_{-1}(1,V)=V;$ $\displaystyle\mathcal{M}^{K}_{i}(1,V)=\\{u\in{K}_{i}\mid[V,u]\subset\mathcal{M}^{K}_{i-1}(1,V),\ [1,u]\in\mathcal{M}^{K}_{i-2}(1,V)\\},\ i\geq 0.$ ###### Theorem 4.2. All MGS of type $\mathrm{(II)}$ of $H$ and $K$ are characterized as follows: For ${H}$, * $\mathrm{(1)}$ All MGS of type $\mathrm{(II)}$ are precisely: $\left\\{\mathcal{M}(V)\mid V\in\mathcal{V}^{H}\right\\}.$ * $\mathrm{(2)}$ For any $V$ and $V^{\prime}$ in $\mathcal{V}^{H}$, $\mathcal{M}(V)\stackrel{{\scriptstyle\mathrm{algebra}}}{{\cong}}\mathcal{M}(V^{\prime})\Longleftrightarrow V{\cong}V^{\prime}.$ * $\mathrm{(3)}$ $H$ has exactly $\phi(r,n)$ isomorphism classes of MGS of type $\mathrm{(II)}$, where $\phi(r,n)=\left\\{\begin{array}[]{ll}8^{-1}(r+1)(r(n+2)^{2}+2n^{2}+6-r)-2,&n\ \mbox{ is odd};\\\ 8^{-1}(r+1)(r(n+2)^{2}+2n^{2}+8)-2,&n\ \mbox{ is even}.\end{array}\right.$ * $\mathrm{(4)}$ For $V\in\mathcal{V}^{H}$, if $\beta$-$\mathrm{dim}V=(a,b,c,d),$ then $\mathrm{dim}\mathcal{M}(V)=p^{m}2^{n}+p^{2a}2^{d}-p^{a+b}2^{c+d}(m-2b+n-d-2c+1)-2.$ For ${K}$, * $(1^{\prime})$ All MGS of type $\mathrm{(II)}$ are precisely: $\displaystyle\left\\{\mathcal{M}(V)\mid V\in\mathcal{V}^{K}\mbox{ is neither nondegenerate nor isotropic}\right\\}$ $\displaystyle\cup$ $\displaystyle\left\\{\mathcal{M}(V)\mid V\in\mathcal{W}^{K}\mbox{ is nondegenerate or isotropic}\right\\}$ $\displaystyle\cup$ $\displaystyle\left\\{\mathcal{M}^{K}(1,V)\mid V\in\mathcal{V}^{K}\mbox{ is isotropic}\right\\}.$ * $(2^{\prime})$ For all MGS of type $\mathrm{(II)}$, $\displaystyle\mathcal{M}(V)\stackrel{{\scriptstyle\mathrm{algebra}}}{{\cong}}\mathcal{M}(V^{\prime})\Longleftrightarrow V{\cong}V^{\prime},$ $\displaystyle\mathcal{M}^{K}(1,V)\stackrel{{\scriptstyle\mathrm{algebra}}}{{\cong}}\mathcal{M}^{K}(1,V^{\prime})\Longleftrightarrow V{\cong}V^{\prime}.$ * $(3^{\prime})$ $K$ has exactly $\phi{(r,n)}$ isomorphism classes of MGS of type $\mathrm{(II)}$, where $\phi(r,n)=\left\\{\begin{array}[]{ll}8^{-1}(r+1)(r(n+2)^{2}+2n^{2}+4n+2-r)+r-1,&n\ \mbox{ is odd};\\\ 8^{-1}(r+1)(r(n+2)^{2}+2n^{2}+4n+8)+r-2,&n\ \mbox{ is even}.\end{array}\right.$ * $(4^{\prime})$ Let $\delta=1$ when $n-m-3=0\pmod{p}$ and $\delta=0$, otherwise. Suppose $\beta$-$\mathrm{dim}V=(a,b,c,d).$ * (a) If $V$ is isotropic, then $\displaystyle\mathrm{dim}\mathcal{M}(V)=p^{m}2^{n}-p^{b}2^{c}(m-2b+n-2c)-\delta,\mbox{ when }\ V\in\mathcal{W}^{K};$ $\displaystyle\mathrm{dim}\mathcal{M}^{K}(1,V)=p^{m}2^{n}-p^{b+1}2^{c}(m-2b+n-2c)+p-\delta,\mbox{ when }\ V\in\mathcal{V}^{K}.$ * (b) If $V$ is not isotropic, then $\mathrm{dim}\mathcal{M}(V)=p^{m}2^{n}-(2r-2a+n-d)p^{2a+1}2^{d}-p,$ when $V\in\mathcal{W}^{K}$ is nondegenerate satisfying $J_{3}$ is single; $\mathrm{dim}\mathcal{M}(V)=p^{m}2^{n}+p^{2a+1}2^{d}-p^{a+b+1}2^{c+d}(m-2b+n-d-2c)-\delta,$ when $V\in\mathcal{W}^{K}$ is nondegenerate satisfying $J_{3}$ is not single or $V\in\mathcal{V}^{K}$ is not nondegenerate. ###### Lemma 4.3. Suppose $L=W,S,H$ or $K$. * $\mathrm{(1)}$ $\mathcal{M}(V)$ is a $\mathbb{Z}$-graded subalgebra of $L$. $\mathcal{M}^{K}(1,V)$ is a $\mathbb{Z}$-graded subalgebra of $K$. * $\mathrm{(2)}$ Suppose $\Phi$ is a $\mathbb{Z}$-homogeneous automorphism of $L$. Then $\Phi(\mathcal{M}_{i}(V))=\mathcal{M}_{i}(\Phi(V))\ \mbox{ for all }\ i\geq-2.$ Moreover, $\Phi(\mathcal{M}(V))=\mathcal{M}(\Phi(V)).$ For $K$, $\Phi(\mathcal{M}^{K}_{i}(1,V))=\mathcal{M}^{K}_{i}(1,\Phi(V))\ \mbox{ for all }\ i\geq-2.$ Moreover, $\Phi(\mathcal{M}^{K}(1,V))=\mathcal{M}^{K}(1,\Phi(V)).$ * $\mathrm{(3)}$ If $M$ is an MGS of type $\mathrm{(II)}$ of $L$, then $M=\mathcal{M}(M_{-1})$ unless $L=K$, $M_{-1}$ is isotropic and $M_{-2}\not=0$. However, in the latter case, $M=\mathcal{M}^{K}(1,M_{-1})$. ###### Proof. The approach is analogous to that used in the case of modular Lie algebras [16]. ∎ ###### Remark 4.4. Suppose $L=W,S,H$ or $K$. In view of Lemmas 2.2 and 4.3, for any $V\in\mathfrak{V}^{L}$, we may assume that $V$ is standard [see (2.17), (2.20)]. Now, we consider the case $L=W$ or $S$. Suppose $V\in\mathfrak{V}^{L}$ with $\mathrm{superdim}V=(k,l)$. For $L=W$, it is easy to verify that $\mathcal{M}_{0}(V)$ has a standard $\mathbb{F}$-basis $\mathcal{A}_{1}\cup\mathcal{A}_{2},$ where $\displaystyle\mathcal{A}_{1}=\\{x_{i}\partial_{j}\mid i,j\in\mathbf{I}(k,l)\\},$ $\displaystyle\mathcal{A}_{2}=\\{x_{i}\partial_{j}\mid i\in\overline{\mathbf{I}}(k,l),j\in\mathbf{I}\\}.$ Similarly, for $L=S$, $\mathcal{M}_{0}(V)$ has a standard $\mathbb{F}$-basis $\mathcal{C}_{1}\cup\mathcal{C}_{2}\cup\mathcal{C}_{3}$, where $\displaystyle\mathcal{C}_{1}=\\{x_{i}\partial_{j}\mid i,j\in\mathbf{I}(k,l),i\neq j\\},$ $\displaystyle\mathcal{C}_{2}=\\{x_{i}\partial_{j}\mid i\in\overline{\mathbf{I}}(k,l),j\in\mathbf{I},i\neq j\\},$ $\displaystyle\mathcal{C}_{3}=\\{x_{1}\partial_{1}-(-1)^{|\partial_{i}|}x_{i}\partial_{i}\mid i\in\mathbf{I}\backslash\\{1\\}\\}.$ Moreover, in any case of $L=W$ or $S$, $\mathcal{M}_{0}(V)$ has a standard co- basis in $W_{0}$: $\mathcal{A}_{3}=\\{x_{i}\partial_{j}\mid i\in\mathbf{I}(k,l),j\in\overline{\mathbf{I}}(k,l)\\}.$ (4.27) ###### Lemma 4.5. Suppose $U$, $V\in\mathfrak{V}^{L}$, $L=W$ or $S$. * $\mathrm{(1)}$ $\mathcal{M}_{0}(V)$ is a maximal subalgebra of $L_{0}$. * $\mathrm{(2)}$ $\mathcal{M}_{0}(U)=\mathcal{M}_{0}(V)$ if and only if $U=V.$ ###### Proof. (1) Let $\mathfrak{G}_{0}$ be a subalgebra of $L_{0}$ which strictly contains $\mathcal{M}_{0}(V)$. It is clear that $\mathfrak{G}_{0}$ contains a nonzero element of form $B=\sum_{h,t\geq 1}\alpha_{ht}x_{i_{h}}\partial_{j_{t}},$ where $0\neq\alpha_{ht}\in\mathbb{F},i_{h}\in\mathbf{I}(k,l),j_{t}\in\overline{\mathbf{I}}(k,l)$. When $L=W$, for any $i\in\mathbf{I}(k,l)$ and $j\in\overline{\mathbf{I}}(k,l),$ one has $x_{i}\partial_{i_{1}}\in\mathcal{A}_{1}$ and $x_{j_{1}}\partial_{j}\in\mathcal{A}_{2}$. Then $x_{i}\partial_{j}=\alpha_{11}^{-1}[x_{i}\partial_{i_{1}},[B,x_{j_{1}}\partial_{j}]]\in\mathfrak{G}_{0},$ showing that the co-basis $\mathcal{A}_{3}\subset\mathfrak{G}_{0}$. Hence $\mathfrak{G}_{0}=W_{0}$. When $L=S$, suppose $|\mathbf{I}(k,l)|>1$ and $|\overline{\mathbf{I}}(k,l)|>1$. Choosing $x_{j_{1}}\partial_{j}$ in $\mathcal{C}_{2}$ with $j\in\overline{\mathbf{I}}(k,l)\backslash\\{j_{1}\\}$ and $x_{i}\partial_{i_{1}}$ in $\mathcal{C}_{1}$ with $i\in\mathbf{I}(k,l)\backslash\\{i_{1}\\}$, we have $x_{i}\partial_{j}=[x_{i}\partial_{i_{1}},[B,x_{j_{1}}\partial_{j}]]\in\mathfrak{G}_{0},$ showing that the co-basis $\mathcal{A}_{3}\subset\mathfrak{G}_{0}$ and then $\mathfrak{G}_{0}=S_{0}$. For the remaining case $|\mathbf{I}(k,l)|=1$ or $|\overline{\mathbf{I}}(k,l)|=1$, the argument is similar and much easier. (2) One direction is obvious. Note that one may choose bases of $U$ and $V$ as follows: $\overbrace{E_{1},\ldots,E_{r}}^{\textrm{cobasis in}\;U},\overbrace{F_{1},\ldots,F_{s}}^{\textrm{basis of}\;U\cap V},\overbrace{G_{1},\ldots,G_{t}}^{\textrm{cobasis in}\;V}$ where $(E_{1},\ldots,E_{r},F_{1},\ldots,F_{s},G_{1},\ldots,G_{t})$ is a permutation of $\partial_{i}$’s. Keeping in mind the standard co-basis (4.27), we are done by a similar argument as in (1). ∎ ###### Proposition 4.6. $\mathcal{M}(V)$ is maximal in $L$ for any $V\in\mathfrak{V}^{L}$, $L=W$ or $S$. ###### Proof. Let $M$ be an MGS containing $\mathcal{M}(V)$. Then $\mathcal{M}_{i}(V)\subset M_{i}$ for all $i\geq-1.$ In particular, because of the maximality of $\mathcal{M}_{0}(V),$ it must be $M_{0}=\mathcal{M}_{0}(V)$ or $M_{0}=L_{0}.$ Case 1. Suppose $M_{0}=\mathcal{M}_{0}(V)$. By induction, it is routine to verify that $M_{i}=\mathcal{M}_{i}(V)$ for all $i\geq 0.$ Assume on the contrary that $M$ strictly contains $\mathcal{M}(V)$. Then $M_{-1}\supsetneq\mathcal{M}_{-1}(V)=V.$ Note that $\mathcal{M}_{0}(V)=M_{0}=\mathcal{M}_{0}(M_{-1})$ from Lemma 4.3(3). Thus, Lemma 4.5(2) forces $M_{-1}=L_{-1}$. Pick any $i\in\mathbf{I}(k,l)$, $j\in\overline{\mathbf{I}}(k,l)$ and any $h\neq i,j.$ We are able to check that $A=(-1)^{|x_{h}|}x_{i}x_{j}\partial_{j}-(-1)^{|x_{j}|}x_{i}x_{h}\partial_{h}\in S_{1}\subset W_{1}.$ Moreover, $A\in\mathcal{M}_{1}(V)=M_{1}.$ Since $M_{-1}=W_{-1}=S_{-1}$, we have $x_{i}\partial_{j}=(-1)^{(|x_{h}|+|x_{i}||x_{j}|)}[\partial_{j},A]\in M_{0}=\mathcal{M}_{0}(V).$ This contradicts the fact that $x_{i}\partial_{j}\in\mathcal{A}_{3}$ [see (4.27)]. Therefore, $M=\mathcal{M}(V).$ Case 2. Suppose $M_{0}=L_{0}$. In this case, since $L_{-1}$ is irreducible as $L_{0}$-module, we have $M_{-1}=L_{-1}.$ Hence $M$ is an MGS of type (I). By Theorem 3.1(1) and (2), $M_{1}=W_{1}^{\prime}$, $W_{1}^{\prime\prime},$ $S_{1}^{\prime\prime}$, or $\\{0\\}.$ In Case 1, we have shown that $A\in\mathcal{M}_{1}(V)$. However, it is clear that $A$ does not belong to $W_{1}^{\prime}$, $W_{1}^{\prime\prime},$ $S^{{}^{\prime\prime}}$, or $\\{0\\}.$ Hence $\mathcal{M}_{1}(V)\not\subset M_{1}.$ This contradicts the assumption that $M$ is a graded subalgebra containing $\mathcal{M}(V).$ ∎ Proof of Theorem 4.1 (1), (2) and (3) are immediate consequences of Lemmas 2.2, 4.3(3) and Proposition 4.6. It remains to show the dimension formulas. For $W$, $\mathcal{M}(V)$ has a standard $\mathbb{F}$-basis which is a disjoint union: $\displaystyle\\{x^{(\alpha)}x^{u}\partial_{i}\mid\alpha\in\mathbf{A}(m),u\in\mathbf{B}(n);\;i\in\mathbf{I}(k,l)\\}$ $\displaystyle\cup$ $\displaystyle\\{x^{(\alpha)}x^{u}\partial_{i}\mid\;i\in\overline{\mathbf{I}}(k,l)\;\mbox{and}\;\exists j\in\overline{\mathbf{I}}(k,l)\;\mbox{such that}\;\partial_{j}(x^{(\alpha)}x^{u})\neq 0\\}.$ A standard and direct computation shows that: $\mathrm{dim}\mathcal{M}(V)=2^{n}p^{m}(m+n)-2^{l}p^{k}(m+n-k-l).$ Similarly, for $S$, we have: $\mathrm{dim}\mathcal{M}(V)=2^{n}p^{m}(m+n-1)+1-2^{l}p^{k}(m+n-k-l).$ ∎ Next, we consider the case $L=H$ or $K$. In this case, we shall frequently use the standard facts mentioned in Remark 2.3 without notice. Suppose $V\in\mathfrak{V}^{L}$ with $\beta$-$\dim V=(a,b,c,d)$. In order to prove Theorem 4.2 we list the following assertions. For simplicity, we write $\lambda_{i,j}$ for a nonzero element in $\mathbb{F}$, where $i,j\in\mathbf{I}$. Recall definitions (2.18)-(2.21). Put $\displaystyle\mathcal{V}_{\mathfrak{i}}^{L}=\left\\{V\in\mathfrak{V}^{L}\mid V\mbox{ is isotropic and }J_{3}\mbox{ is not twinned}\right\\};$ $\displaystyle\mathcal{V}_{\mathfrak{n}}^{L}=\left\\{V\in\mathfrak{V}^{L}\mid V\mbox{ is nondegenerate and }J_{i}\mbox{ is not twinned, }i=1,3\right\\};$ $\displaystyle\mathcal{V}_{\mathfrak{d}}^{L}=\left\\{V\in\mathfrak{V}^{L}\mid V\mbox{ is degenerate},J_{3}\mbox{ is empty and }J_{1}\mbox{ is not twinned}\right\\}.$ (4.28) ###### Lemma 4.7. For $H$, put $A_{i}=\mathrm{span}_{\mathbb{F}}\\{u\in H_{i}\mid\nu(u)=0,1\mbox{ or }(\frac{1}{3})^{k}2^{l},\ k,l\in\mathbb{N},\ l>1\\}.$ Then * $(1)$ $A_{i}=\mathcal{M}_{i}(V)$, $i\geq-1$. * $(2)$ The subalgebra $A_{0}=\mathcal{M}_{0}(V)$ is maximal in $H_{0}$ if and only if $V\in\mathcal{V}_{\mathfrak{i}}^{H}\cup\mathcal{V}_{\mathfrak{n}}^{H}\cup\mathcal{V}_{\mathfrak{d}}^{H}.$ ###### Proof. (1) It follows by using induction on $i$, $i\geq-1$. (2) Obviously, the torus $T$ mentioned in Remark 2.3(2) is contained in $\mathcal{M}_{0}(V)$. For any $h\in H_{0}$ and $h\not\in\mathcal{M}_{0}(V)$, put $\overline{M}=\mathrm{alg}(\mathcal{M}_{0}(V)+\mathbb{F}h)$. Firstly, we show the maximality of $\mathcal{M}_{0}(V).$ It suffices to prove $H_{0}=\overline{M}$. Case 1. $V\in\mathcal{V}_{\mathfrak{i}}^{H}$. Notice that $\nu(y_{i})=\left\\{\begin{array}[]{llll}0&i\in J_{2};\\\ \frac{1}{3}&i\in\bar{J}_{2};\\\ 2&i\in J_{3}\end{array}\right.\ \ \mbox{ and }\ \ \mathcal{M}_{0}(V)=\mathrm{span}_{\mathbb{F}}\\{y_{i}y_{j}\mid(i,j)\in J_{2}\times\mathbf{I}\cup J_{3}\times J_{3}\\}.$ We may assume that $h$ is a monomial with $\nu(h)=\frac{1}{9}$ or $\frac{2}{3}$. When $h=y_{i}y_{j}$, $(i,j)\in\bar{J}_{2}\times\bar{J}_{2}$, we have: $\displaystyle y_{k}y_{l}=\lambda_{k,l}[[y_{i}y_{j},y_{\widetilde{j}}y_{k}],y_{\widetilde{i}}y_{l}]\in\overline{M}\ \mbox{ for all }\ (k,l)\in\bar{J}_{2}\times\bar{J}_{2},$ $\displaystyle y_{k}y_{s}=\lambda_{k,s}[y_{k}y_{l},y_{\widetilde{l}}y_{s}]\in\overline{M}\ \mbox{ for all }\ s\in{J}_{3}.$ Thus, $H_{0}=\overline{M}$. When $h=y_{i}y_{j}$, $(i,j)\in\bar{J}_{2}\times{J}_{3}$, if $j\in I_{03}$ or $I_{03}$ is not empty, we get $H_{0}=\overline{M}$ in an analogous way as above. Otherwise, we may assume that $I_{03}$ is empty. If $J_{3}$ is single, we have: $\displaystyle y_{k}y_{m+n-d}=\lambda_{k,m+n-d}[y_{i}y_{m+n-d},y_{\widetilde{i}}y_{k}]\in\overline{M}\ \mbox{ for all }\ k\in\bar{J}_{2},$ $\displaystyle y_{k}y_{l}=\lambda_{k,l}[y_{k}y_{m+n-d},y_{m+n-d}y_{l}]\in\overline{M}\ \mbox{ for all }\ l\in\bar{J}_{2}.$ It follows that $H_{0}=\overline{M}$. If $J_{3}$ is neither single nor twinned, for $s\in J_{13}$, $s\not=\widetilde{j}$, we have: $\displaystyle y_{k}y_{s}=\lambda_{k,s}[[y_{i}y_{j},y_{\widetilde{i}}y_{k}],y_{\widetilde{j}}y_{s}]\in\overline{M}\ \mbox{ for all }\ k\in\bar{J}_{2},$ $\displaystyle y_{k}y_{\widetilde{j}}=\lambda_{k,\widetilde{j}}[y_{k}y_{s},y_{\widetilde{s}}y_{\widetilde{j}}]\in\overline{M}\ \ s\not=j\mbox{ and }\widetilde{j},$ $\displaystyle y_{k}y_{l}=\lambda_{k,l}[y_{j}y_{k},y_{\widetilde{j}}y_{l}]\in\overline{M}\ \mbox{ for all }l\in\bar{J}_{2}.$ Thus, $H_{0}=\overline{M}$. Case 2. $V\in\mathcal{V}_{\mathfrak{n}}^{H}$. Notice that $\nu(y_{i})=\left\\{\begin{array}[]{llll}1&i\in J_{1};\\\ 2&i\in J_{3}\end{array}\right.\ \ \mbox{ and }\ \ \mathcal{M}_{0}(V)=\mathrm{span}_{\mathbb{F}}\\{y_{i}y_{j}\mid(i,j)\in J_{1}\times J_{1}\cup J_{3}\times J_{3}\\}.$ We may assume that $h$ is a linear combination of monomials with value 2. When $h=y_{i}y_{j}$, $(i,j)\in(I_{01}\cup\bar{I}_{01})\times{J}_{3}$, using the same method as in Case 1, we get $H_{0}=\overline{M}$. When $h=\sum_{i\in I_{11}}a_{i}y_{k}y_{i}$, where $k\in J_{3}$, $a_{i}\in\mathbb{F}$, $a_{j}\not=0$, we get $H_{0}=\overline{M}$ if $I_{01}$ is not empty or $J_{1}$ is single by a similar argument as in Case 1. Thus, it suffices to consider the condition that $I_{01}$ is empty and $J_{1}$ is neither single nor twinned. For distinct $l,s,j\in I_{11}$, we have $\displaystyle y_{k}y_{s}=(a_{j})^{-1}\lambda_{k,s}[y_{l}y_{s},[y_{j}y_{l},h]]\in\overline{M},$ $\displaystyle y_{e}y_{k}=\lambda_{e,k}[y_{k}y_{s},y_{s}y_{e}]\in\overline{M}\ \mbox{ for any }\ s\not=e\in I_{11}.$ For any $i\in I_{11}$, $f\in I_{03}$ and $t\in I_{13}$, we have $y_{f}y_{i}=\lambda_{f,i}[y_{k}y_{i},y_{\widetilde{k}}y_{f}]\in\overline{M}\ \mbox{ and }\ y_{t}y_{i}=\lambda_{t,i}[y_{f}y_{i},y_{\widetilde{f}}y_{t}]\in\overline{M}.$ Thus, $H_{0}=\overline{M}.$ Case 3. $V\in\mathcal{V}_{\mathfrak{d}}^{H}$. Notice that $\nu(y_{i})=\left\\{\begin{array}[]{llll}1&i\in J_{1};\\\ 0&i\in J_{2};\\\ \frac{1}{3}&i\in\bar{J}_{2}\end{array}\right.\ \ \mbox{ and }\ \ \mathcal{M}_{0}(V)=\mathrm{span}_{\mathbb{F}}\\{y_{i}y_{j}\mid(i,j)\in{J}_{2}\times\mathbf{I}\cup J_{1}\times{J}_{1}\\}.$ We have $H_{0}=\overline{M}$ by the same method as in Cases 1 and 2. Conversely, we consider the co-basis of $\mathcal{M}_{0}(V)$ in $H_{0}$: $\\{y_{i}y_{j}\mid(i,j)\in{J}_{1}\times\bar{J}_{2}\cup J_{1}\times{J}_{3}\cup\bar{J}_{2}\times\bar{J}_{2}\cup\bar{J}_{2}\times{J}_{3}\\}.$ (4.29) Notice that if $V\not\in\mathcal{V}_{\mathfrak{i}}^{H}\cup\mathcal{V}_{\mathfrak{n}}^{H}\cup\mathcal{V}_{\mathfrak{d}}^{H}$ , then $V\in\mathfrak{V}^{H}$ must satisfy one of the following conditions: (i) None of $J_{1},J_{2},J_{3}$ is empty. In this case, we choose a monomial $h$ of $H_{0}$ with $\nu(h)=2$. Then there do not exist monomials with value $\frac{1}{3}$ in $\overline{M}$. (ii) $J_{3}$ is twinned, i.e., $J_{3}=\\{j,{\widetilde{j}}\\}$, where $j\not=\widetilde{j}\in\mathbf{I}_{1}$. In this case, let $h=y_{i}y_{j}$, where $i\in\left\\{\begin{array}[]{ll}\bar{J}_{2},&J_{1}\ \mbox{ is empty};\\\ {J}_{1},&\ \mbox{ otherwise}.\end{array}\right.$ Then $y_{i}y_{\widetilde{j}}\not\in\overline{M}$. (iii) $J_{1}$ is twinned, i.e., $J_{1}=\\{m+n-1,m+n\\}$. In this case, let $h=y_{k}(y_{m+n-1}+\sqrt{-1}y_{m+n})$, where $k\in\left\\{\begin{array}[]{ll}\bar{J}_{2},&J_{3}\ \mbox{ is empty};\\\ {J}_{3},&\ \mbox{ otherwise}.\end{array}\right.$ Then $y_{k}y_{m+n}\not\in\overline{M}$. Therefore, $\overline{M}$ is a nontrivial subalgebra of $H_{0}$ strictly containing $\mathcal{M}_{0}(V)$ when (i), (ii) or (iii) holds, which implies that $\mathcal{M}_{0}(V)$ is not a maximal subalgebra of $H_{0}$. ∎ ###### Proposition 4.8. The subalgebra $\mathcal{M}(V)$ is maximal in $H$ if and only if $V\in\mathcal{V}^{H}$. ###### Proof. If $J_{3}=\\{m+n-d\\}$, from Lemma 4.7(1), we know that $\mathcal{M}_{i}(V)=\mathrm{span}_{\mathbb{F}}\\{u\in H_{i}\mid\nu(u)=1,0\\},\ i\geq-1,$ which implies that $\mathrm{alg}(\mathcal{M}(V)+\mathbb{F}y_{m+n-d})\subset\mathrm{span}_{\mathbb{F}}\\{u\in H\mid\nu(u)=1,0\\}+\mathbb{F}y_{m+n-d}.$ Thus, $y_{i},y_{j}y_{m+n-d}\not\in\mathrm{alg}(\mathcal{M}(V)+\mathbb{F}y_{m+n-d})$ if $\nu(y_{i})={\frac{1}{3}}$ or $\nu(y_{j})=1,$ which contradicts the maximality of $\mathcal{M}(V)$. If $J_{3}=\\{j,{\widetilde{j}}\\}$, where $j\not=\widetilde{j}\in\mathbf{I}_{1}$, from Lemma 4.7(1), we know that $\mathcal{M}_{i}(V)=\mathrm{span}_{\mathbb{F}}\\{u\in H_{i}\mid\nu(u)=1,0,(\frac{1}{3})^{k}4\\},\ i\geq 0.$ Then for any monomial $u\in\mathcal{M}_{i}(V)$, we have: $[y_{j},u]=0\ \ \mbox{ or }\ \ [y_{j},u]=wy_{j},$ where $0\not=w\in H_{i-1}$ with $D_{\widetilde{j}}(w)=0$, which implies that $y_{\widetilde{j}}\not\in\mathrm{alg}(\mathcal{M}(V)+\mathbb{F}y_{j}).$ This contradicts the maximality of $\mathcal{M}(V)$. Conversely, let us prove the maximality of $\mathcal{M}(V)$. By definition (4.26), it is sufficient to show that $\overline{M}=\mathrm{alg}(\mathcal{M}(V)+\mathbb{F}h)=H$, where $h=y_{i}$, $i\in\bar{J}_{2}\cup J_{3}$. Note that $\mathcal{M}_{1}(V)\not=0$ for $|\mathbf{I}_{0}|\geq 2$. From Lemmas 2.1(2) and 3.11(1), it suffices to prove $H_{-1},H_{0}\subset\overline{M}$. For $V\in\mathcal{V}^{H}$, we discuss the following cases: Case 1. $J_{2}$ is not empty. When $i\in\bar{J}_{2}$, since $y_{\widetilde{i}}\in V\ \mbox{ and }\ y_{j}=\lambda_{i,j}[y_{i},y_{\widetilde{i}}y_{j}]\in\overline{M}\ \mbox{ for }\ \widetilde{i}\not=j\in\mathbf{I},$ we have $H_{-1}\subset\overline{M}$. When $i\in{J}_{3}$, for all $j\in J_{3}$ with $j\not=i,\widetilde{i}$, we have: $y_{j}=\lambda_{i,j}[y_{i},y_{\widetilde{i}}y_{j}]\ \ \mbox{ and }\ \ y_{\widetilde{i}}=\lambda_{\widetilde{i},j}[y_{j},y_{\widetilde{i}}y_{\widetilde{j}}].$ Note that $y_{l}=\lambda_{l,i}[y_{i},[y_{\widetilde{i}},y_{i}y_{\widetilde{i}}y_{l}]]\in\overline{M}\ \mbox{ for all }\ l\in\bar{J}_{2}.$ Thus we have $H_{-1}\subset\overline{M}$. Note that for an arbitrary monomial $u\in H_{0}$, there exists $k\in\mathbf{I}$ such that $uy_{k}\not=0$ and $\nu(uy_{k})=0$. Then we have $u=\lambda_{\widetilde{k},k}[y_{\widetilde{{k}}},uy_{k}]\in\overline{M},$ which implies that $H_{0}\subset\overline{M}$. Thus, we have $\overline{M}=H$. Case 2. $J_{2}$ is empty. Obviously, $J_{1}$ and $J_{3}$ are not empty. Then we have $H_{-1},H_{0}\subset\overline{M}$ by the same method as in Case 1. ∎ To avoid confusion, we rewrite $\mathcal{M}^{L}_{i}(V)$ for $\mathcal{M}_{i}(V)$, $\mathcal{M}^{L}(V)$ for $\mathcal{M}(V)$, $L=H$ or $K$. ###### Lemma 4.9. Let $\gamma=\lfloor\frac{i+2}{2}\rfloor$ for $i>0$. Put $\widetilde{\mathcal{M}}_{j}(V)=\left\\{\begin{array}[]{ll}0,&j>\eta-2;\\\ \mathcal{M}^{H}_{j}(V),&j<\eta-2;\end{array}\right.\ \widetilde{\mathcal{M}}_{\eta-2}(V)=\left\\{\begin{array}[]{ll}0,&V\mbox{ is nondegenerate}\\\ &\mbox{and}\ J_{3}\ \mbox{is single};\\\ \mathbb{F}y^{(\pi)}y^{\omega},&\mbox{otherwise, }\end{array}\right.$ where $\pi=(p-1,\ldots,p-1)\in\mathbb{N}^{2r}$, $\eta=2r(p-1)+n$ and $\omega=\langle m+1,\ldots,m+n\rangle$. Then * $\mathrm{(1)}$ $\mathcal{M}^{K}_{0}(V)=\mathcal{M}^{H}_{0}(V)\oplus\mathbb{F}z$. * $\mathrm{(2)}$ If $V$ is not isotropic, for $i>0$, $\mathcal{M}^{K}_{i}(V)=\widetilde{\mathcal{M}}_{i}(V)\oplus\widetilde{\mathcal{M}}_{i-2}(V)z\oplus\cdots\oplus\widetilde{\mathcal{M}}_{i-2\gamma}(V)z^{\gamma}.$ * $\mathrm{(3)}$ If $V$ is isotropic, for $i>0$, $\mathcal{M}^{K}_{i}(V)=\widetilde{\mathcal{M}}_{i}(V)\oplus\overline{H}_{i-2}z\oplus\cdots\oplus\overline{H}_{i-2\gamma}z^{\gamma}.$ ###### Proof. (1) It is obvious. (2) Use induction on $i$. Clearly, $\widetilde{\mathcal{M}}_{i}(V)\subset\mathcal{M}^{K}_{i}(V)$. $``\supset"$: For $gz^{k}\in\widetilde{\mathcal{M}}_{i-2k}(V)z^{k}$, $0<k\leq\gamma$, we know that $[y_{l},gz^{k}]=[y_{l},g]z^{k}+y_{l}gz^{k-1}.$ Note that $y_{l}g\in\widetilde{\mathcal{M}}_{i-2(k-1)-1}(V)\ \mbox{ for }\nu(y_{l})=1,0.$ By induction on $\mathrm{zd}(g)$, we have: $y_{l}gz^{k-1},\ [y_{l},g]z^{k}\in\mathcal{M}^{K}_{i-1}(V).$ Thus, $gz^{k}\in\mathcal{M}^{K}_{i}(V)$. $``\subset"$: For any $u\in\mathcal{M}^{K}_{i}(V)$, by Lemma 3.11(2), we may assume that $u=u_{i}+u_{i-2}z+\cdots+u_{i-2\gamma}z^{\gamma},$ where $u_{j}\in\overline{H}_{j}$ for $i-2\gamma\leq j\leq i$. Note that $\mathcal{M}^{K}_{-2}(V)\not=0$, since $V$ is not isotropic. Then we have: $u_{i-2}+u_{i-4}z+\cdots+u_{i-2\gamma}z^{\gamma-1}=2^{-1}[1,u]\in\mathcal{M}^{K}_{i-2}(V).$ By induction, we have $u_{j}\in\widetilde{\mathcal{M}}_{j}(V)$ for $i-2\gamma\leq j\leq i-2$. Moreover, $u_{i-2}z+u_{i-4}z^{2}+\cdots+u_{i-2\gamma}z^{\gamma}\in\mathcal{M}^{K}_{i}(V).$ Consequently, $u_{i}\in\widetilde{\mathcal{M}}_{i}(V)$. (3) When $V$ is isotropic, note that $\nu(y_{k})=0$ for all $y_{k}\in V$. The remaining discussion is analogous to that of the condition (2). ∎ ###### Proposition 4.10. The subalgebra $\mathcal{M}^{K}(V)$ is maximal in $K$ if and only if $V\in\mathcal{V}^{K}$ when $V$ is neither nondegenerate nor isotropic; $V\in\mathcal{W}^{K}$, otherwise. ###### Proof. The proof of the necessity is similar to the one of Proposition 4.8. We only consider the sufficiency. For any $u\in K$, $u\not\in\mathcal{M}^{K}(V)$, put $\overline{M}=\mathrm{alg}(\mathcal{M}^{K}(V)+\mathbb{F}u)$. Then there exist $v_{1},\ldots,v_{i}\in V$ such that $0\not=h=[v_{1},[\cdots,[v_{i},u]\cdots]]\in\overline{M}\cap K_{-1}\ \mbox{ and }\ h\not\in V.$ When $J_{3}$ is neither single nor twinned, by Proposition 4.8, we have $H\subset\overline{M}.$ When $J_{3}$ is single and $V$ is isotropic, we may assume that $h=y_{i}$, $i\in\bar{J}_{2}\cup\\{m+n-d\\}$. If $i\in\bar{J}_{2}$, for any $j,k\in\bar{J}_{2}$, we obtain that $y_{m+n-d}=\lambda_{i,\widetilde{i}}[y_{\widetilde{i}},[y_{i},y_{m+n-d}z]],\ \ y_{m+n-d}y_{j}y_{k}=\lambda_{j,k}[y_{m+n-d},y_{j}y_{k}z]$ are in $\overline{M}$ from Lemma 4.9(3). Moreover, $y_{j}y_{k}=-[y_{m+n-d},y_{m+n-d}y_{j}y_{k}],\ \ y_{m+n-d}y_{k}=\lambda_{m+n-d,k}[y_{\widetilde{j}},y_{m+n-d}y_{j}y_{k}]$ are in $\overline{M}$. Keeping in mind the co-basis (4.29), we have $H_{0}\subset\overline{M}$, which also holds when $J_{3}$ is single and $V$ is nondegenerate. From the irreducibility of $K_{-1}$, $K_{10}$ and $K_{11}$, as well as Lemma 4.9, we obtain that $\mathcal{M}^{K}(V)$ is maximal in $K$. ∎ In the same way as in Proposition 4.10, one may check the following proposition. ###### Proposition 4.11. If $V$ is isotropic, the subalgebra $\mathcal{M}^{K}(1,V)$ is maximal in $K$ if and only if $V\in\mathcal{V}^{K}$. ###### Convention 4.12. For simplicity, put $\mathcal{O}_{X}=\mathrm{span}_{\mathbb{F}}\\{y_{i_{1}}\cdots y_{i_{s}}\mid i_{1},\ldots,i_{s}\in X,s\geq 1\\}$, $\mathcal{Q}_{X}=\mathrm{span}_{\mathbb{F}}\\{y_{i}\mid i\in X\\}$ and $\mathcal{Y}^{+}_{X}=\mathcal{Y}_{X}\oplus\mathbb{F}\cdot 1$, where $X$ is a subset of $\mathbf{I}$ and $\mathcal{Y}=\mathcal{O}$ or $\mathcal{Q}$. Proof of Theorem 4.2 For (1) and $(1^{\prime})$, the proofs follow from Lemma 4.3(3), Propositions 4.8, 4.10 and 4.11. For $H$, from Lemma 4.7(1) and (1), we obtain that $\dim{\mathcal{M}^{H}(V)}=\dim H-\dim(\mathcal{O}^{+}_{J_{1}}\mathcal{O}_{\bar{J}_{2}}\oplus\mathcal{O}^{+}_{J_{1}\cup\bar{J}_{2}}\mathcal{Q}_{{J}_{3}}).$ For $K$, from Lemma 4.9 and $(1^{\prime})$, we obtain that $\displaystyle\dim{\mathcal{M}^{K}(1,V)}=p(\dim\mathcal{M}^{H}(V)+2);$ $\displaystyle\dim{\mathcal{M}^{K}(V)}=\left\\{\begin{array}[]{ll}\dim\mathcal{M}^{H}(V)+1+(p-1)(\dim H+2),&V\in\mathcal{W}^{K}\mbox{ is isotropic};\\\ p(\dim\mathcal{M}^{H}(V)+2),&\mbox{ otherwise}.\end{array}\right.$ By a standard and direct computation we get the formulas (4) and $(4^{\prime})$. Noting that $\dim\mathcal{M}_{0}(V)=\dim\mathcal{M}_{0}(V^{\prime})$ if $\mathcal{M}(V)\cong$$\mathcal{M}(V^{\prime})$ and using the same method as in Theorem 4.1(2), (2) and $(2^{\prime})$ hold. From (1), $(1^{\prime})$ and (2), $(2^{\prime})$, we obtain that (3) and $(3^{\prime})$ hold.∎ ## 5 MGS of Type (III) Suppose $L=W,S,H$ or $K$. Recall that an MGS of type (III) of $L$, $M$, satisfies the condition $M_{-1}=L_{-1}\quad\mbox{and}\quad M_{0}\neq L_{0}.$ Let $\mathfrak{G}_{0}$ be a nontrivial subalgebra of $L_{0}$. Define a graded subspace of $L$ as follows: $\mathcal{M}(L_{-1},\mathfrak{G}_{0})=\oplus_{i\geq-2}\mathcal{M}_{i}(L_{-1},\mathfrak{G}_{0}),$ where $\displaystyle\mathcal{M}_{-i}(L_{-1},\mathfrak{G}_{0})=L_{-i},\ i<0;\quad\mathcal{M}_{0}(L_{-1},\mathfrak{G}_{0})=\mathfrak{G}_{0};$ $\displaystyle\mathcal{M}_{i}(L_{-1},\mathfrak{G}_{0})=\\{u\in L_{i}\mid[L_{-1},u]\subset\mathcal{M}_{i-1}(L_{-1},\mathfrak{G}_{0})\\}\ \mbox{ for }i>0.$ (5.30) It is easy to see that $\mathcal{M}(L_{-1},\mathfrak{G}_{0})$ is a graded subalgebra satisfying the condition (III). We call $\mathfrak{G}$ a maximal R-subalgebra (resp. maximal S-subalgebra) of $L$ if $\mathfrak{G}$ is maximal reducible (resp. irreducible) graded and satisfies the condition (III). All the MGS of type (III) can be split into the disjoint union of maximal R-subalgebras and maximal S-subalgebras. ###### Theorem 5.1. Suppose $L=W$ or $S$. * $\mathrm{(1)}$ All maximal R-subalgebras of $L$ are precisely: $\\{\mathcal{M}(L_{-1},\mathcal{M}_{0}(V))\mid V\in\mathfrak{V}^{L}\\}.$ * $\mathrm{(2)}$ For any $V,V^{\prime}\in\mathfrak{V}^{L}$, $\mathcal{M}(L_{-1},\mathcal{M}_{0}(V))\stackrel{{\scriptstyle\mathrm{algebra}}}{{\cong}}\mathcal{M}(L_{-1},\mathcal{M}_{0}(V^{\prime}))\Longleftrightarrow V{\cong}V^{\prime}.$ * $\mathrm{(3)}$ $L$ has exactly $(m+1)(n+1)-2$ isomorphism classes of maximal R-subalgebras. * $\mathrm{(4)}$ Suppose $V\in\mathfrak{V}^{L}$ with $\mathrm{superdim}V=(k,l),$ then $\displaystyle\mathrm{dim}\mathcal{M}(L_{-1},\mathcal{M}_{0}(V))$ $\displaystyle=$ $\displaystyle\left\\{\begin{array}[]{ll}2^{n-l}p^{m-k}(m+n-k-l)+2^{n}p^{m}(k+l),&L=W\\\ 2^{n-l}p^{m-k}(m+n)+2^{n}p^{m}(k+l-1)-k-1,&L=S.\end{array}\right.$ Let $L=H$ or $K$ and put $V^{\bot}=\\{u\in L_{-1}\mid\beta(u,V)=0\\}$ for $V\in\mathfrak{V}^{L}$. Recall definitions (2.18)–(2.20) and (4.28). ###### Theorem 5.2. All maximal R-subalgebras of $H$ and $K$ are characterized as follows: For $H$, * $(1)$ All maximal R-subalgebras of $H$ are precisely: $\left\\{\mathcal{M}(H_{-1},\mathcal{M}_{0}(V))\mid V\in\mathcal{V}_{\mathfrak{n}}^{H}\cup\mathcal{V}_{\mathfrak{i}}^{H}\right\\}.$ * $(2)$ Suppose $V,V^{\prime}\in\mathcal{V}_{\mathfrak{n}}^{H}\cup\mathcal{V}_{\mathfrak{i}}^{H}$. Then $\mathcal{M}(H_{-1},\mathcal{M}_{0}(V))\stackrel{{\scriptstyle\mathrm{algebra}}}{{\cong}}\mathcal{M}(H_{-1},\mathcal{M}_{0}(V^{\prime}))$ if and only if one of the following conditions holds. * (i) $V{\cong}V^{\prime}.$ * (ii) $V^{\bot}{\cong}V^{\prime}$ when $V$ and $V^{\prime}$ are both nondegenerate. * $(3)$ $H$ has exactly $\phi(r,n)$ isomorphism classes of maximal R-subalgebras, where $\phi(r,n)=\left\\{\begin{array}[]{ll}2^{-1}(nr+3n+2r-2)+\lfloor\frac{r}{2}\rfloor(n+1),&n\ \mbox{ is even};\\\ 2^{-1}(nr+3n+r-1)+\lfloor\frac{r}{2}\rfloor(n+1),&n\ \mbox{ is odd}.\end{array}\right.$ * $(4)$ Suppose $V\in\mathcal{V}_{\mathfrak{n}}^{H}\cup\mathcal{V}_{\mathfrak{i}}^{H}$ with $\beta$-$\mathrm{dim}V=(a,b,c,d),$ then $\dim\mathcal{M}(H_{-1},\mathcal{M}(V))=\left\\{\begin{array}[]{ll}p^{2a}2^{d}+p^{2(r-a)}2^{(n-d)}-2,&V\in\mathcal{V}_{\mathfrak{n}}^{H};\\\ p^{m-b}2^{n-c}+(b+c)p^{b}2^{c}-1,&V\in\mathcal{V}_{\mathfrak{i}}^{H}.\end{array}\right.$ For $K$, * $(1^{\prime})$ All maxima R-subalgebras of $K$ are precisely: $\left\\{\mathcal{M}(K_{-1},\mathcal{M}_{0}(V))\mid V\in\mathcal{V}_{\mathfrak{i}}^{K}\right\\}.$ * $(2^{\prime})$ Suppose $V,V^{\prime}\in\mathcal{V}_{\mathfrak{i}}^{K}$. Then $\mathcal{M}(K_{-1},\mathcal{M}_{0}(V))\stackrel{{\scriptstyle\mathrm{algebra}}}{{\cong}}\mathcal{M}(K_{-1},\mathcal{M}_{0}(V^{\prime}))\Longleftrightarrow V{\cong}V^{\prime}.$ * $(3^{\prime})$ $K$ has exactly $\phi(r,n)$ isomorphism classes of maximal R-subalgebras, where $\phi(r,n)=\left\\{\begin{array}[]{ll}2^{-1}(rn+n+2r-2),&n\ \mbox{ is even};\\\ 2^{-1}(rn+n+r-1),&n\ \mbox{ is odd}.\end{array}\right.$ * $(4^{\prime})$ Suppose $V\in\mathcal{V}_{\mathfrak{i}}^{K}$ with $\beta$-$\mathrm{dim}V=(0,b,c,0),$ then $\displaystyle\dim\mathcal{M}(K_{-1},\mathcal{M}_{0}(V))=\left\\{\begin{array}[]{ll}p^{b+1}2^{c}(b+c+1),&J_{3}\ \mbox{ is empty };\\\ p^{b}2^{c}(p^{m-2b}2^{n-2c}+b+c),&\mbox{ otherwise}.\end{array}\right.$ Unfortunately, for maximal S-subalgebras, we have not obtained a similar description as for the maximal graded subalgebras of type $(\mathrm{I})$ or $(\mathrm{II})$ as well as for the maximal R-subalgebras. However, the classification of maximal S-subalgebras of $L$ can be reduced to that of the maximal irreducible subalgebras of the classical Lie superalgebras (see Lemma 2.1(3)). ###### Theorem 5.3. Suppose $L=W,S,H$ or $K$. All maximal S-subalgebra of $L$ are characterized as follows: Every maximal S-subalgebra of $L$ is of the form $\mathcal{M}(L_{-1},\mathfrak{G}_{0}),$ where $\mathfrak{G}_{0}$ is a maximal irreducible subalgebra of $L_{0}$. Suppose $\mathfrak{G}_{0}$ is a maximal irreducible subalgebra of $L_{0}$. * $\mathrm{(a)}$ For $L=W$, $\mathcal{M}(W_{-1},\mathfrak{G}_{0})$ is maximal in $W$ if and only if $\mathrm{div}(\mathcal{M}_{1}(W_{-1},\mathfrak{G}_{0}))\neq 0.$ * $\mathrm{(b)}$ For $L=S$ or $H$, $\mathcal{M}(L_{-1},\mathfrak{G}_{0})$ is maximal in $L$ if and only if $\mathcal{M}_{1}(L_{-1},\mathfrak{G}_{0})\neq 0.$ * $\mathrm{(c)}$ For $L=K$, $\mathcal{M}(K_{-1},\mathfrak{G}_{0})$ is a maximal in $K$ if and only if there exists $u\in\mathcal{M}_{1}(K_{-1},\mathfrak{G}_{0})$ satisfying $[1,u]\not=0.$ Let $L=W,S,H$ or $K$. As in the case of modular Lie algebras [16], it is easy to show the following lemmas. ###### Lemma 5.4. Let $\mathfrak{G}_{0}$ be a nontrivial subalgebra of $L_{0}$. If $\Phi$ is a $\mathbb{Z}$-homogeneous automorphism of $L$. Then $\Phi(\mathcal{M}_{i}(L_{-1},\mathfrak{G}_{0}))=\mathcal{M}_{i}(L_{-1},\Phi(\mathfrak{G}_{0}))\ \mbox{ for all }i\geq-2.$ Moreover, $\Phi(\mathcal{M}(L_{-1},\mathfrak{G}_{0}))=\mathcal{M}(L_{-1},\Phi(\mathfrak{G}_{0})).$ ###### Lemma 5.5. Let $M=L_{-1}+M_{0}+M_{1}+M_{2}+\cdots$ be any MGS of $L$. Then $M_{0}$ is maximal in $L_{0}$ unless $M_{0}=L_{0}$. ###### Lemma 5.6. If $M$ is an MGS of type $\mathrm{(III)}$ of $L$ then $M_{0}$ is maximal in $L_{0}$ and $M=\mathcal{M}(L_{-1},M_{0})$. ###### Lemma 5.7. If $\mathfrak{G}_{0}$ is a maximal reducible subalgebra of $L_{0}$ then there exists a $V\in\mathfrak{V}^{L}$ such that $\mathfrak{G}_{0}=\mathcal{M}_{0}(V)$ and $\mathcal{M}_{i}(L_{-1},\mathfrak{G}_{0})\subset\mathcal{M}_{i}(V)$ for $i\geq 0$. Conversely, $\mathcal{M}_{0}(V)$ is a reducible maximal subalgebra of $L_{0}$ if $V\in\mathfrak{V}^{L}$ when $L=W$ or $S$; if $V\in\mathcal{V}_{\mathfrak{n}}^{L}\cup\mathcal{V}_{\mathfrak{i}}^{L}\cup\mathcal{V}_{\mathfrak{d}}^{L}$ when $L=H$ or $K$. ###### Proof. Since $\mathfrak{G}_{0}$ is reducible, $L_{-1}$ has a nontrivial $\mathfrak{G}_{0}$-submodule $V$. From definition (4.26) and the maximality of $\mathfrak{G}_{0}$, we have $\mathfrak{G}_{0}=\mathcal{M}_{0}(V)$. From definitions (4.26) and (5.30), we have $\mathcal{M}_{i}(L_{-1},\mathfrak{G}_{0})\subset\mathcal{M}_{i}(V)$ for $i\geq 0$. The second statement follows immediately from Lemmas 4.5(1) and 4.7(2). ∎ ###### Remark 5.8. In view of Lemmas 2.2, 5.4 and 5.7, if $\mathfrak{G}_{0}$ is a maximal reducible subalgebra of $L_{0}$, we may assume that $V$ is a standard element in $\mathfrak{V}^{L}$ [see (2.17), 2.20)] such that $\mathfrak{G}_{0}=\mathcal{M}_{0}(V)$. ###### Proposition 5.9. Suppose $L=W$ or $S$. $\mathcal{M}(L_{-1},\mathfrak{G}_{0})$ is a maximal R-subalgebra, if $\mathfrak{G}_{0}$ is a maximal reducible subalgebra of $L_{0}$. ###### Proof. Let us show that $M=\mathcal{M}(L_{-1},\mathfrak{G}_{0})$ is maximal. Assume that $\overline{M}$ is a maximal graded subalgebra containing $M$. Clearly, $\overline{M}_{-1}=L_{-1}$. Since $\mathfrak{G}_{0}$ is a maximal subalgebra of $L_{0}$, we have $\overline{M}_{0}=\mathfrak{G}_{0}$ or $L_{0}$. If $\overline{M}_{0}=\mathfrak{G}_{0}$ then $\overline{M}$ is an MGS of type (III). By Lemma 5.6, $\overline{M}=\mathcal{M}(L_{-1},\mathfrak{G}_{0})=M$ and we are done. Let us consider the remaining case; $\overline{M}_{0}=L_{0}$. Clearly, $\overline{M}$ is an MGS of type (I) and by Theorem 3.1, $M_{1}\subset\overline{M}_{1}=W_{1}^{\prime},W_{1}^{\prime\prime},S_{1}^{\prime\prime},\;\mbox{or}\;\\{0\\}.$ (5.31) On the other hand, by Lemma 5.7, there exists a $V\in\mathfrak{V}^{L}$ such that $\mathfrak{G}_{0}=\mathcal{M}_{0}(V)$. Assume that $V$ has a standard basis: $(\partial_{1},\ldots,\partial_{k}\mid\partial_{m+1},\ldots,\partial_{m+l}).$ Hence $\mathfrak{G}_{0}=\mathcal{M}_{0}(V)$ has a standard co-basis (4.27) in $W_{0}$: $\mathcal{A}_{3}=\\{x_{i}\partial_{j}\mid i\in\mathbf{I}(k,l),j\in\overline{\mathbf{I}}(k,l)\\}.$ To reach a contradiction, in view of (5.31), it is sufficient to find an element belonging to $M_{1}$ but not $W^{\prime},W^{\prime\prime}$ for $W$, but not $S^{\prime\prime}$ or $\\{0\\}$ for $S$. For $L=W$, $x_{j}x_{i}\partial_{i}$ with $i\in\mathbf{I}(k,l)$ and an arbitrarily chosen $j$ is a desired element. Here we have used the fact that both $|\mathbf{I}(k,l)|\geq 1$ and $|\overline{\mathbf{I}}(k,l)|\geq 1$, since $V\in\mathfrak{V}^{W}$. For $L=S$, pick distinct $i,j,r$ with $i\in\mathbf{I}(k,l)$ and with $j,r$ chosen arbitrarily. Here note that the general assumption ensures $|\mathbf{I}|\geq 4.$ Then $x_{j}x_{r}\partial_{i}\in S_{1}$ is a desired candidate for $S$. The proof is complete. ∎ Proof of Theorem 5.1 (1) This follows from Lemmas 5.5, 5.6, 5.7 and Proposition 5.9. (2) One implication is obvious. Suppose $\Phi$ is an isomorphism of $\mathcal{M}(L_{-1},\mathcal{M}_{0}(V))$ onto $\mathcal{M}(L_{-1},\mathcal{M}_{0}(V^{\prime}))$. Consequently, $\Phi(L_{-1})=L_{-1}$ and $\Phi(\mathcal{M}_{0}(V))=\mathcal{M}_{0}(V^{\prime}).$ A standard verification shows that $\Phi(\mathcal{M}_{0}(V))=\mathcal{M}_{0}(\Phi(V))$. By Lemma 4.5(2), we have $\Phi(V)=V^{\prime}$. (3) This is a direct consequence of (2). (4) Suppose $V$ is a standard element in $\mathfrak{V}^{L}$. Then $\mathcal{M}(W_{-1},\mathcal{M}_{0}(V))$ has a standard $\mathbb{F}$-basis $\displaystyle\\{x^{(\alpha)}x^{u}\partial_{i}\mid\alpha\in\mathbf{A}(m),u\in\mathbf{B}(n);\;i\in\mathbf{I}(k,l)\\}$ $\displaystyle\cup$ $\displaystyle\\{x^{(\alpha)}x^{u}\partial_{i}\mid\alpha_{1}=\cdots=\alpha_{k}=0,u\subset\overline{m+l+1,m+n};\;i\in\overline{\mathbf{I}}(k,l)\\}.$ Thus, we have: $\mathrm{dim}\mathcal{M}(W_{-1},\mathcal{M}_{0}(V))=2^{n-l}p^{m-k}(m+n-k-l)+2^{n}p^{m}(k+l).$ Note that $\overline{S}=S\oplus\sum_{i\in\mathbf{I}_{0}}x^{(\pi-(p-1)\varepsilon_{i})}x^{\omega}\partial_{i}$, where $\pi=(p-1,\ldots,p-1)\in\mathbb{N}^{m}$ and $\omega=\langle m+1,\ldots,m+n\rangle$. Then we have: $\mathrm{dim}\mathcal{M}(S_{-1},\mathcal{M}_{0}(V))=2^{n-l}p^{m-k}(m+n)+2^{n}p^{m}(k+l-1)-k-1.$ ∎ We call $\mathfrak{G}_{0}=\mathcal{M}_{0}(V)$ is degenerate if $V\in\mathcal{V}_{\mathfrak{i}}^{L}\cup\mathcal{V}_{\mathfrak{d}}^{L}$. ###### Proposition 5.10. Let $\mathfrak{G}_{0}$ be a maximal reducible subalgebra of $H_{0}$ or $K_{0}$. * $(1)$ $\mathcal{M}(H_{-1},\mathfrak{G}_{0})$ is maximal in $H$. * $(2)$ $\mathcal{M}(K_{-1},\mathfrak{G}_{0})$ is maximal in $K$ if and only if ${\mathfrak{G}_{0}}$ is degenerate. ###### Proof. For any $0\neq h\in L$, $h\not\in\mathcal{M}(L_{-1},\mathfrak{G}_{0})$, put $\overline{M}=\mathrm{alg}(\mathcal{M}(L_{-1},\mathfrak{G}_{0})+\mathbb{F}h)$. By the maximality of $\mathfrak{G}_{0}$, we have $L_{0}\subset\overline{M}$. For $H$, choose $k\in I_{0i}$ if $I_{0i}$ is not empty where $i=1,2$ or 3. It follows that $y^{3}_{k}\in\mathcal{M}_{1}(H_{-1},\mathfrak{G}_{0})$. For $K$, suppose ${\mathfrak{G}_{0}}$ is degenerate. Using the same method as for $H$, we can find $0\not=v_{i}\in\overline{M}\cap K_{1i}$, where $i=0,1$. From Lemmas 2.1(2) and 3.11, we have $\overline{M}=L$. It remains to show that ${\mathfrak{G}_{0}}$ is degenerate if $\mathcal{M}_{1}(K_{-1},\mathfrak{G}_{0})$ is maximal. Assume on the contrary that $V_{\mathfrak{G}_{0}}\in\mathcal{V}_{\mathfrak{n}}^{K}$ is a nondegenerate irreducible $\mathfrak{G}_{0}$-module. For any $u\in\mathcal{M}_{1}(K_{-1},\mathfrak{G}_{0})$, by Lemmas 4.9(2) and 5.7, we may assume that $u=f_{-1}z+f_{1},\mbox{ where }\ f_{-1}\in V_{\mathfrak{G}_{0}}\ \mbox{ and }\ f_{1}\in\widetilde{\mathcal{M}}_{1}(V_{\mathfrak{G}_{0}}).$ Note that ${f_{-1}}$ is a linear combination of monomials with value 1. Let $f_{1}=f^{1}+f^{4}+f^{8}$ where $f^{i}$ is a linear combination of monomials with value $i$, $i=1,4$ or $8$. We claim that $f_{-1}=0$. Indeed, for any $y_{i}\in K_{-1}$ with value 2, we have $\sigma(i)(-1)^{i}(D_{\widetilde{i}}(f_{1})+D_{\widetilde{i}}(f_{-1})z)+y_{i}f_{-1}=[y_{i},u]\in\mathcal{M}_{0}(V_{\mathfrak{G}_{0}})=\mathfrak{G}_{0},$ which implies that $f_{-1}=0$ when $J_{3}$ is single. Otherwise, the following equation holds: $\displaystyle\sigma(i)(-1)^{i}D_{\widetilde{i}}(f^{4})=-y_{i}f_{-1}.$ (5.32) Then there exists $g_{1}\in K_{1}$ with $D_{\widetilde{i}}(g_{1})=0$ satisfying $\displaystyle\sigma(i)(-1)^{i}f^{4}=-y_{\widetilde{i}}y_{i}f_{-1}+g_{1}.$ (5.33) By equations (5.32) and (5.33), we have $D_{i}(g_{1})=(-1)^{i}2y_{\widetilde{i}}f_{-1}$ which contradicts $D_{\widetilde{i}}(g_{1})=0$ if $f_{-1}\not=0$. Consequently, $\mathcal{M}_{1}(K_{-1},\mathfrak{G}_{0})\subset K_{10}$. Using induction on $k$ and the transitivity of $K$, we have $\mathcal{M}_{k}(K_{-1},\mathfrak{G}_{0})\subset K_{k0}$ for $k>0.$ It follows that $\mathcal{M}(K_{-1},\mathfrak{G}_{0})$ is strictly contained in $K_{-2}+K_{-1}+K_{0}+\sum_{i=1}^{2r(p-1)+n}K_{i0}$. The latter is a maximal graded subalgebra (see Theorem 3.1(4)). This contradicts the maximality of $\mathcal{M}(K_{-1},\mathfrak{G}_{0})$. The proof is complete. ∎ ###### Lemma 5.11. Suppose $L=H$ or $K$. * $(1)$ Suppose $V\in\mathcal{V}_{\mathfrak{d}}^{L}$. Then $V$ contains a subspace $V^{\prime}\in\mathcal{V}_{\mathfrak{i}}^{L}$ such that $\mathcal{M}(L_{-1},\mathcal{M}_{0}(V))=\mathcal{M}(L_{-1},\mathcal{M}_{0}(V^{\prime})).$ * $(1)$ If $V,V^{\prime}\in\mathcal{V}_{\mathfrak{n}}^{L}\cup\mathcal{V}_{\mathfrak{i}}^{L}$, then $\mathcal{M}_{0}(V)=\mathcal{M}_{0}(V^{\prime})$ if and only if one of the following conditions holds. * $(i)$ $V=V^{\prime}.$ * $(ii)$ $V^{\bot}=V^{\prime}$ when $V$ and $V^{\prime}$ are nondegenerate. ###### Proof. For (1), we may assume that $V=\mathrm{span}_{\mathbb{F}}\\{y_{i}\mid i\in J_{1}\cup J_{2}\\}$. Then $V^{\prime}=\mathrm{span}_{\mathbb{F}}\\{y_{i}\mid i\in J_{2}\\}$ is desired. For (2), by a similar argument as in Lemma 4.5(2), we get the desired conclusion. ∎ ###### Lemma 5.12. The following statements hold. * $(1)$ If $V\in\mathcal{V}_{\mathfrak{n}}^{H}$, then $\mathcal{M}(H_{-1},\mathcal{M}_{0}(V))=\mathcal{O}_{J_{1}}\oplus\mathcal{O}_{{J}_{3}}.$ * $(2)$ If $V\in\mathcal{V}_{\mathfrak{i}}^{H}$, then $\mathcal{M}(H_{-1},\mathcal{M}_{0}(V))=\mathcal{O}_{J_{2}\cup J_{3}}\oplus\mathcal{O}^{+}_{J_{2}}\mathcal{Q}_{\bar{J}_{2}}.$ ###### Proof. (1) For $V\in\mathcal{V}_{\mathfrak{n}}^{H}$, a direct computation shows that $\mathcal{M}_{i}(H_{-1},\mathcal{M}_{0}(V))=\mathrm{span}_{\mathbb{F}}\\{u\in H_{i}\mid u\ \mbox{ is a monomial with }\ \nu(u)=1,2^{i+2}\\}.$ (2) For $V\in\mathcal{V}_{\mathfrak{i}}^{H}$, using induction on $i$, we obtain that $\mathcal{M}_{i}(H_{-1},\mathcal{M}_{0}(V))$ is spanned by monomials in $H$ as follows: * $(a)$ $u_{1}u_{2}\in H_{i}$, where $u_{1}$ is a monomial with the variables of value 0 and $u_{2}$ is a monomial with the variables of value $2$. * $(b)$ $y_{j}u_{3}\in H_{i}$, where $j\in\bar{J}_{2}$ and $u_{3}$ is a monomial with the variables of value $0$. Then, the conclusions hold. ∎ For $u\in K$, put $Z(u)=i$ if $(ad1)^{i+1}u=0$ and $(ad1)^{i}u\not=0$. ###### Lemma 5.13. Suppose $V\in\mathcal{V}_{\mathfrak{i}}^{K}$. For any element $u\in K$ with $[1,u]\not=0$, $u\in\mathcal{M}(K_{-1},\mathcal{M}_{0}(V))$ if and only if $u$ is a linear combination of elements of the form $f(z+x)^{j}+g$, where $g\in\mathcal{O}^{+}_{J_{2}\cup J_{3}}\oplus\mathcal{O}^{+}_{J_{2}}\mathcal{Q}_{\bar{J}_{2}}$, $f\in\left\\{\begin{array}[]{ll}\mathcal{O}^{+}_{J_{2}}\mathcal{Q}^{+}_{\bar{J}_{2}},&V\in\mathcal{V}_{\mathfrak{i}}^{K}\mbox{ satisfying }J_{3}\ \mbox{ is empty};\\\ \mathcal{O}^{+}_{J_{2}\cup J_{3}},&V\in\mathcal{V}_{\mathfrak{i}}^{K}\mbox{ satisfying }J_{3}\ \mbox{ is not empty},\end{array}\right.$ $x=\sum_{i\in J_{2}}y_{i}y_{\widetilde{i}}$ and $0<j<p$. ###### Proof. Let $\mathfrak{G}_{0}=\mathcal{M}_{0}(V)$. Notice that $g$, $x$ and $z+x\in\mathcal{M}(K_{-1},\mathfrak{G}_{0})$. Firstly, for any $i\in\mathbf{I}$, one computes $\displaystyle[y_{i},z+x]\in\mathcal{O}^{+}_{J_{2}\cup J_{3}},$ $\displaystyle f[y_{i},z+x]\in\mathcal{O}_{J_{2}\cup J_{3}}+\mathcal{O}_{J_{2}}\mathcal{Q}_{\bar{J}_{2}},$ $\displaystyle[y_{i},f]\in\left\\{\begin{array}[]{ll}\mathcal{O}^{+}_{J_{2}}\mathcal{Q}^{+}_{\bar{J}_{2}},&V\in\mathcal{V}_{\mathfrak{i}}^{K}\mbox{ satisfying }J_{3}\ \mbox{ is empty};\\\ \mathcal{O}^{+}_{J_{2}\cup J_{3}},&V\in\mathcal{V}_{\mathfrak{i}}^{K}\mbox{ satisfying }J_{3}\ \mbox{ is not empty}.\end{array}\right.$ Using induction on $\mathrm{zd}(f)$ and $j$, respectively, we have $f(z+x),\ (z+x)^{j}\in\mathcal{M}(K_{-1},\mathfrak{G}_{0}).$ Furthermore, $f(z+x)^{j}\in\mathcal{M}(K_{-1},\mathfrak{G}_{0})$. Conversely, let us use induction on $Z(u)$. When $Z(u)=1$, we consider the following cases. Case 1. $u\in\mathcal{M}_{0}(K_{-1},\mathfrak{G}_{0}).$ By Lemmas 4.9(1) and 5.7, we may assume that $u=z+u_{0}$, where $u_{0}\in\mathfrak{G}_{0}\cap H_{0}$, which means that $u_{0}\in\mathcal{O}_{J_{2}\cup J_{3}}+\mathcal{O}_{J_{2}}\mathcal{Q}_{\bar{J}_{2}}$. Thus, $u=z+x+(u_{0}-x)$ is desired. Case 2. $u\in\mathcal{M}_{1}(K_{-1},\mathfrak{G}_{0}).$ From Remark 2.3, we may assume that $u=y_{t}z+u_{1}$, where $u_{1}\in H_{1}$ and $t\in\mathbf{I}$. Notice that, when $y_{t}(z+x)\in\mathcal{M}(K_{-1},\mathfrak{G}_{0}),$ $u_{1}-y_{t}x=u-y_{t}(z+x)\in\mathcal{M}(K_{-1},\mathfrak{G}_{0})\cap H,$ which follows that $u=y_{t}(z+x)+(y_{t}x-u_{1})$ is desired. Thus, by the necessity of this lemma, it is sufficient to consider the case of $t\in\bar{J}_{2}$ when $J_{3}$ is not empty. From Lemmas 4.9(3) and 5.7, we may assume that $u_{1}=h^{(\frac{1}{3},2,2)}+h^{(0,\frac{1}{3},\frac{1}{3})}+h^{(0,\frac{1}{3},2)}+h,$ where $h^{(\alpha,\beta,\gamma)}=\mathrm{span}_{\mathbb{F}}\\{y_{i}y_{j}y_{k}\mid\nu({y_{i}})=\alpha,\nu({y_{j}})=\beta,\nu({y_{k}})=\gamma\\},$ $h\in\mathcal{M}_{1}(K_{-1},\mathfrak{G}_{0})\cap H$. For any $y_{l}\in K_{-1}$, we have: $\sigma(l)(-1)^{l}(D_{\widetilde{l}}(y_{t})z+D_{\widetilde{l}}u_{1})+y_{l}y_{t}=[y_{l},u]\in\mathfrak{G}_{0},$ which means that $\sigma(l)(-1)^{l}D_{\widetilde{l}}u_{1}+y_{l}y_{t}\in\mathfrak{G}_{0}.$ (5.34) When $\nu(y_{l})=2$, from equation (5.34) we have: $\sigma(l)(-1)^{l}D_{\widetilde{l}}h^{(\frac{1}{3},2,2)}+y_{l}y_{t}\in\mathfrak{G}_{0},$ which is a linear combination of elements with value $\frac{2}{3}$. It follows that $\sigma(l)(-1)^{l}D_{\widetilde{l}}h^{(\frac{1}{3},2,2)}+y_{l}y_{t}=0.$ When $J_{3}$ is single, we have $y_{l}y_{t}=0$, a contradiction. When $J_{3}$ is not single, there exist distinct $k,\widetilde{k}\in J_{3}$ such that $h^{(\frac{1}{3},2,2)}=-\sigma(k)(-1)^{k}y_{\widetilde{k}}y_{k}y_{t}+h^{\prime},$ (5.35) where $D_{\widetilde{k}}h^{\prime}=0$ and $\sigma(\widetilde{k})(-1)^{k}D_{k}(h^{(\frac{1}{3},2,2)})+y_{\widetilde{k}}y_{t}=0.$ From equation (5.35), we have $D_{k}(h^{\prime})=D_{k}(h^{(\frac{1}{3},2,2)})+\sigma(k)y_{\widetilde{k}}y_{t}=2\sigma(k)y_{\widetilde{k}}y_{t},$ which contradicts $D_{\widetilde{k}}h^{\prime}=0$. Thus, an element of the form $y_{t}z+u_{1}$, $t\in\bar{J}_{2}$ is not in $\mathcal{M}_{1}(K_{-1},\mathfrak{G}_{0})$ when $J_{3}$ is not empty. Case 3. $u\in\mathcal{M}_{i}(K_{-1},\mathfrak{G}_{0})$ for $i>1$. We may assume that $u=g_{i-2}z+g_{i},\ g_{j}\in\overline{H}_{j},\ j=i-2,i.$ Note that the elements of the form $h_{2}z+h$ are not in $\mathcal{M}(K_{-1},\mathfrak{G}_{0})$, where $h_{2}$ is a linear combination of monomials with value $\frac{1}{9}$. By induction on $i$, we obtain that $g_{i-2}$ is in $\mathcal{O}_{J_{2}}\mathcal{Q}_{\bar{J}_{2}}$ if $J_{3}$ is empty; in $\mathcal{O}_{J_{2}\cup J_{3}}$, otherwise. Thus, $g_{i-2}(z+x)\in\mathcal{M}_{i}(K_{-1},\mathfrak{G}_{0})$. Moreover, $g_{i}-g_{i-2}x\in\mathcal{M}_{i}(K_{-1},\mathfrak{G}_{0})\cap\overline{H}$. Then $u=g_{i-2}(z+x)+(g_{i}-g_{i-2}x)$ is desired. When $Z(u)=k>1$, suppose $u=u_{k}z^{k}+u_{k-1}z^{k-1}+\cdots+u_{1}z+u_{0},\ u_{j}\in\overline{H},\ j=0,\ldots,k.$ Obviously, $u_{k}z+u_{k-1}=2^{(1-k)}(\mathrm{ad}1)^{k-1}(u)\in\mathcal{M}(K_{-1},\mathfrak{G}_{0}).$ Thus, $u_{k}$ is in $\mathcal{O}^{+}_{J_{2}}\mathcal{Q}^{+}_{\bar{J}_{2}}$ when $J_{3}$ is empty; in $\mathcal{O}^{+}_{J_{2}\cup J_{3}}$, otherwise. Consequently, $u_{k}(z+x)^{k}\in\mathcal{M}(K_{-1},\mathfrak{G}_{0}).$ Thus, $v=u-u_{k}(z+x)^{k}\in\mathcal{M}(K_{-1},\mathfrak{G}_{0})$ and $Z(v)<k$. By the inductive hypothesis, $v$ is a linear combination of the desired form. So is $u$. The proof is complete. ∎ Proof of Theorem 5.2. For (2) and ($2^{\prime}$), sufficiency is obvious. For necessity, suppose $\Phi$ is an isomorphism of $\mathcal{M}(L_{-1},\mathcal{M}_{0}(V))$ onto $\mathcal{M}(L_{-1},\mathcal{M}_{0}(V^{\prime}))$. Then, $\Phi(L_{-1})=L_{-1}$ and $\Phi(\mathcal{M}_{0}(V))=\mathcal{M}_{0}(V^{\prime})$, which implies that $\dim\mathcal{M}_{0}(V)=\dim\mathcal{M}_{0}(V^{\prime})$. It follows that $V$ and $V^{\prime}$ are both nondegenerate or are both isotropic. Notice that $\Phi(\mathcal{M}_{0}(V))\subset\mathcal{M}_{0}(\Phi(V))$. For the maximality of $\mathcal{M}_{0}(V^{\prime})$, we have $\mathcal{M}_{0}(V^{\prime})=\mathcal{M}_{0}(\Phi(V)).$ By virtue of Lemma 5.11(2), we have $V^{\prime}=\Phi(V)$ or $V^{\prime}=\Phi(V)^{\bot}$ when $V^{\prime}$ and $\Phi(V)$ are both nondegenerate. Thus, we have $\dim V=\dim V^{\prime}$ or $\dim V=m+n-\dim V^{\prime}$. We can obtain the desired conclusions by a direct computation. (3) and $(3^{\prime})$ are direct consequences of (2) and $(2^{\prime})$. The remaining statements hold from Lemmas 5.5, 5.6, 5.11, 5.12, 5.13 and Proposition 5.10.∎ Finally, we consider the maximal S-subalgebras of $L$, where $L=W,S,H$ or $K$. As in the case of modular Lie algebras [16], it easy to show the following: ###### Lemma 5.14. Suppose $\mathfrak{G}_{0}$ is a maximal irreducible subalgebra of $L_{0}$. The subalgebra $\mathcal{M}(L_{-1},\mathfrak{G}_{0})$ is not maximal in $L$ if $\mathcal{M}_{1}(L_{-1},\mathfrak{G}_{0})=0$. Proof of Theorem 5.3. (1) This is nothing but Lemma 5.6. (2) Let $\mathfrak{G}_{0}$ be a maximal irreducible subalgebra of $L_{0}.$ (a) Suppose $L=W$ and $\mathcal{M}(W_{-1},\mathfrak{G}_{0})$ is maximal in $W$. Assume on the contrary that $\mathrm{div}(\mathcal{M}_{1}(W_{-1},\mathfrak{G}_{0}))=0$. By induction on $i$, one has $\mathcal{M}_{i}(W_{-1},\mathfrak{G}_{0})\subset W^{\prime}_{i}$ for all $i\geq 1.$ Since $\mathfrak{G}_{0}$ is a nontrivial subalgebra of $W_{0}$, we have $\mathcal{M}(W_{-1},\mathfrak{G}_{0})\subsetneq W_{-1}+W_{0}+W^{\prime}_{1}+W^{\prime}_{2}+\cdots$ By Theorem 3.1, the latter is an MGS of $W$. This contradicts the maximality of $\mathcal{M}(W_{-1},\mathfrak{G}_{0})$. Conversely, to show the maximality of $\mathcal{M}(W_{-1},\mathfrak{G}_{0})$, assume that $M$ is an MGS strictly containing $\mathcal{M}(W_{-1},\mathfrak{G}_{0})$. By definition (5.30), it must be that $M_{0}\supsetneq\mathfrak{G}_{0}$ and therefore, $M_{0}=W_{0}$ by the maximality of $\mathfrak{G}_{0}$. Thus $M$ is an MGS of type (I) and thereby $M_{1}=W_{1}^{\prime}\;\mbox{or}\;W_{1}^{\prime\prime}.$ (5.36) Note that $W^{\prime\prime}_{1}$ is an irreducible $\mathfrak{G}_{0}$-module, which follows from the irreducibility of $\mathfrak{G}_{0}$ and a simple fact that, as $W_{0}$-modules, $W^{\prime\prime}_{1}\cong(W_{-1})^{*}.$ By our assumption, there is a $D\in\mathcal{M}_{1}(W_{-1},\mathfrak{G}_{0})\subset M_{1}$ with $\mathrm{div}D$ $\neq 0$. Assert that $D\notin W^{\prime\prime}_{1}$. Assuming on the contrary, by the irreducibility of $W^{\prime\prime}_{1}$, we have $W^{\prime\prime}_{1}\subset\mathcal{M}_{1}(W_{-1},\mathfrak{G}_{0})$ and thereby $W_{0}=\mathrm{alg}([W_{-1},W^{\prime\prime}_{1}])\subset\mathrm{alg}([W_{-1},\mathcal{M}_{1}(W_{-1},\mathfrak{G}_{0})])\subset\mathfrak{G}_{0}.$ This contradicts the assumption that $\mathfrak{G}_{0}$ is a nontrivial subalgebra of $W_{0}$ and hence the assertion holds. This proves that $D$ belongs to neither $W_{1}^{\prime}$ nor $W_{1}^{\prime\prime}$, contradicting (5.36). (b) For $S$, from Lemma 5.14, one implication is obvious. As in (a), we have $\mathcal{M}(S_{-1},\mathfrak{G}_{0})$ is maximal when $\mathcal{M}_{1}(S_{-1},\mathfrak{G}_{0})\neq 0$. For $H$, the conclusion follows from Lemmas 3.11(1) and 5.14. (c) Suppose $L=K$. Assume on the contrary that $[1,u]=0$ for every $u\in\mathcal{M}_{1}(K_{-1},\mathfrak{G}_{0})$. Then, $\mathcal{M}_{1}(K_{-1},\mathfrak{G}_{0})\subset K_{10}.$ As in the proof of Proposition 5.10(2), we have $\mathcal{M}(K_{-1},\mathfrak{G}_{0})$ is not maximal. Conversely, suppose $u=u_{0}+u_{1}$ where $u_{i}\in K_{1i}$, $i=0,1$ and $u_{1}\not=0$. We claim that $u_{0}\not=0$. Indeed, by a direct computation, $[K_{-1},K_{11}]=K_{0}$ holds. Assuming on the contrary that $u_{0}=0$, we have $u_{1}\in\mathcal{M}(K_{-1},\mathfrak{G}_{0})$. $K_{-1}$ is an irreducible $\mathfrak{G}_{0}$-module, and so is $K_{11}$. Moreover, $K_{11}\subset\mathcal{M}(K_{-1},\mathfrak{G}_{0})$. Thus, $[K_{-1},K_{11}]\subset[K_{-1},\mathcal{M}(K_{-1},\mathfrak{G}_{0})]\subset\mathfrak{G}_{0}\subsetneq K_{0},$ which contradicts $[K_{-1},K_{11}]=K_{0}$. Put $h\in K$, $h\not\in\mathcal{M}(K_{-1},\mathfrak{G}_{0})$ and $\overline{M}=\mathrm{alg}{(\mathcal{M}(K_{-1},\mathfrak{G}_{0})+\mathbb{F}h)}$. By definition (5.30) and the maximality of $\mathfrak{G}_{0}$, we have $K_{0}\subset\overline{M}$. Since the torus $T$ is in $\overline{M}$, from Remark 2.3, there exists $v=v_{0}+y_{i}z\in\mathrm{alg}{(\mathbb{F}u+T)}\subset\overline{M},\ i\in\mathbf{I},\ v_{0}\in K_{10}.$ For $K_{0}\subset\overline{M}$, without loss of generality, we may assume that $i\in\mathbf{I}_{0}.$ If $v_{0}=0$, we have $y_{i}z\in\overline{M}$. For $u_{0}\not=0$, the conclusion holds. Otherwise, we claim that there exists a nonzero element in $\overline{M}\cap K_{10}$. Indeed, it is sufficient to consider the following cases. Case 1. $D_{\widetilde{i}}(v_{0})\not=0$. Note that $0\not=[y^{(2\varepsilon_{i})},v]\in\overline{M}\cap K_{10}.$ Case 2. $D_{\widetilde{i}}(v_{0})=0$ and there exists $t\in\mathbf{I}$, $t\not=i$, $\widetilde{i}$, such that $D_{\widetilde{t}}(v_{0})\not=0$. Note that $0\not=[y_{t}y_{i},v]\in\overline{M}\cap K_{10}.$ Case 3. $D_{{t}}(v_{0})=0$, for all $t\in\mathbf{I}\backslash\\{i\\}$. Then $v_{0}=y^{(3\varepsilon_{i})}.$ Note that $y^{(3\varepsilon_{i})}=(2\sigma(\widetilde{i}))^{-1}([y_{i}y_{\widetilde{i}},v]-\sigma(\widetilde{i})v)\in\overline{M}\cap K_{10}.$ By Lemmas 2.1(2), 3.11(2) and $u_{i}\not=0$ for $i=0,1$, the conclusion follows.∎ ## References * [1] V. G. Kac. Lie superalgebras. Adv. Math. 26 (1977): 8–96. * [2] M. Scheunert. Theory of Lie Superalgebras. Lecture Notes in Math. vol. 716, Springer-Verlag, Berlin, 1979. * [3] V. G. Kac. Classification of infinite dimensional simple linearly compact Lie superalgebras. Adv. Math. 139 (1998): 1–55. * [4] Y.-Z. Zhang. Finite-dimensional Lie superalgebras of Cartan-type over fields of prime characteristic. Chinese. Sci. Bull. 42(9) (1997): 720–724. * [5] S. Bouarroudj and D. Leites. Simple Lie superalgebras and nonintegrable distributions in characteristic $p$. J. Math. Sci. 141(4) (2007): 1390–1398. * [6] A. Elduque. New simple Lie superalgebras in characteristic 3. J. Algebra 296(1) (2006): 196–233. * [7] E. B. Dynkin. Semisimple subalgebras of semisimple Lie algebras. Mat. Sb. (N. S.) 30(72) (1952): 349–462; transl. AMS Transl. 6(2) (1957): 111–244. * [8] E. B. Dynkin. Maximal subgroups of the classical groups. Trudy Moskow. Mat. Obsh. 1 (1952): 39–166. transl. AMS Transl. 6(2) (1957): 245–378. * [9] G. M. Seitz. The maximal subgroups of classical algebraic groups. Memories of the AMS 67 (1987). * [10] G. M. Seitz. Maximal subgroups of exceptional algebraic groups. Memories of the AMS 90 (1991). * [11] M. Racine. On maximal subalgebras. J. Algebra 30(1) (1974): 155–180. * [12] M. Racine. Maximal subalgebras of exceptional Jordan algebras. J. Algebra 46 (1977): 12–21. * [13] A. Elduque, J. Laliena, and S. Sacristan. Maximal subalgebras of associative superalgebras. J. Algebra 275(1) (2004): 40–58. * [14] A. Elduque J. Laliena, and S. Sacristan. The Kac Jordan superalgebra: Automorphisms amd maximal subalgebras. Proc. AMS 135(12) (2007): 3805–3813. * [15] Y. Barnea, A. Shalev and E. I. Zelmanov. Graded subalgebras of affine Kac-Moody algebras. Israel J. Math. 104 (1998): 321–334. * [16] H. Melikyan. Maximal subalgebras of simple modular Lie algebras. J. Algebra 284 (2005): 824–856. * [17] A. I. Kostrikin, I. R. Shafarevich. Graded Lie algebras of finite characteristic. Izv. Akad. Nauk. SSSR Ser. Mat. 33 (1969): 251–322 (in Russian); transl. Math. USSR Izv. 3 (1969): 237–304. * [18] H. Strade. Simple Lie Algebras over Fields of Positive Characteristic I. Structure Theory. de Gruyter Exp. Math., vol. 38, Walter de Gruyter, Berlin, 2004. * [19] H. Strade and R. Farnsteiner. Modular Lie Algebras and Their Representations. Monographys and Textbooks in Pure Appl. Math. vol 116, Marcel Dekker, New York, 1988. * [20] W.-D. Liu and Y.-Z. Zhang. Automorphism groups of restricted Cartan-type Lie superalgebras. Comm. Algebra 34(10) (2006): 1–18.
arxiv-papers
2013-04-20T09:39:34
2024-09-04T02:49:44.633759
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Wei Bai, Wende Liu, Xuan Liu, Hayk Melikyan", "submitter": "Wende Liu Professor", "url": "https://arxiv.org/abs/1304.5618" }
1304.5637
# Tucker Tensor Regression and Neuroimaging Analysis Xiaoshan Li, Hua Zhou and Lexin Li North Carolina State University ###### Abstract Large-scale neuroimaging studies have been collecting brain images of study individuals, which take the form of two-dimensional, three-dimensional, or higher dimensional arrays, also known as tensors. Addressing scientific questions arising from such data demands new regression models that take multidimensional arrays as covariates. Simply turning an image array into a long vector causes extremely high dimensionality that compromises classical regression methods, and, more seriously, destroys the inherent spatial structure of array data that possesses wealth of information. In this article, we propose a family of generalized linear tensor regression models based upon the Tucker decomposition of regression coefficient arrays. Effectively exploiting the low rank structure of tensor covariates brings the ultrahigh dimensionality to a manageable level that leads to efficient estimation. We demonstrate, both numerically that the new model could provide a sound recovery of even high rank signals, and asymptotically that the model is consistently estimating the best Tucker structure approximation to the full array model in the sense of Kullback-Liebler distance. The new model is also compared to a recently proposed tensor regression model that relies upon an alternative CANDECOMP/PARAFAC (CP) decomposition. 11footnotetext: Address for correspondence: Lexin Li, Department of Statistics, North Carolina State University, Box 8203, Raleigh, NC 27695-8203. Email: [email protected]. Key Words: CP decomposition; magnetic resonance image; tensor; Tucker decomposition. ## 1 Introduction Advancing technologies are constantly producing large scale scientific data with complex structures. An important class arises from medical imaging, where the data takes the form of multidimensional array, also known as _tensor_. Notable examples include electroencephalography (EEG, 2D matrix), anatomical magnetic resonance images (MRI, 3D array), functional magnetic resonance images (fMRI, 4D array), among other image modalities. In medical imaging data analysis, a primary goal is to better understand associations between brains and clinical outcomes. Applications include using brain images to diagnose neurodegenerative disorders, to predict onset of neuropsychiatric diseases, and to identify disease relevant brain regions or activity patterns. This family of problems can collectively be formulated as a regression with clinical outcome as response, and image, or tensor, as predictor. However, the sheer size and complex structure of image covariate pose unusual challenges, which motivate us to develop a new class of regression models with image covariate. Most classical regression models take vector as covariate. Naively turning an image array into a vector is evidently unsatisfactory. For instance, a typical MRI image of size 128-by-128-by-128 implicitly requires $128^{3}=2,097,152$ regression parameters. Both computability and theoretical guarantee of the classical regression models are severely compromised by this ultra-high dimensionality. More seriously, vectorizing an array destroys the inherent spatial structure of the image array that usually possesses abundant information. A typical solution in the literature first employs the subject knowledge to extract a vector of features from images, and then feeds the feature vector into a classical regression model (Mckeown et al.,, 1998; Blankertz et al.,, 2001; Haxby et al.,, 2001; Kontos et al.,, 2003; Mitchell et al.,, 2004; LaConte et al.,, 2005; Shinkareva et al.,, 2006). Alternatively one first applies unsupervised dimension reduction, often some variant of principal components analysis, to the image array, and then fits a regression model in the reduced dimensional vector space (Caffo et al.,, 2010). Both solutions are intuitive and popular, and have enjoyed varying degrees of success. At heart, both transform the problem to a classical vector covariate regression. However, there is no consensus on what choice best summarizes a brain image even for a single modality, whereas unsupervised dimension reduction like principal components could result in information loss in a regression setup. In contrast to constructing an image feature vector, the functional approach views image as a function and then employs functional regression models (Ramsay and Silverman,, 2005). Reiss and Ogden, (2010) notably applied this idea to regression with 2D image predictor. Extending their method to 3D and higher dimensional images, however, is far from trivial and requires substantial research, due to the large number of parameters and multi-collinearity among imaging measures. In a recent work, Zhou et al., (2013) proposed a class of generalized linear _tensor_ regression models. Specifically, for a response variable $Y$, a vector predictor ${\bm{Z}}\in\mathrm{I\\!R}\mathit{{}^{p_{0}}}$ and a $D$-dimensional tensor predictor ${\bm{X}}\in\mathrm{I\\!R}\mathit{{}^{p_{1}\times\ldots\times p_{D}}}$, the response is assumed to belong to an exponential family where the linear systematic part is of the form, $\displaystyle g(\mu)=\mbox{\boldmath$\gamma$}^{\mbox{\tiny{\sf T}}}{\bm{Z}}+\langle{\bm{B}},{\bm{X}}\rangle.$ (1) Here $g(\cdot)$ is a strictly increasing link function, $\mu=E(Y|{\bm{X}},{\bm{Z}})$, $\mbox{\boldmath$\gamma$}\in\mathrm{I\\!R}\mathit{{}^{p_{0}}}$ is the regular regression coefficient vector, ${\bm{B}}\in\mathrm{I\\!R}\mathit{{}^{p_{1}\times\cdots\times p_{D}}}$ is the coefficient array that captures the effects of tensor covariate ${\bm{X}}$, and the inner product between two arrays is defined as $\langle{\bm{B}},{\bm{X}}\rangle=\langle\mathrm{vec}{\bm{B}},\mathrm{vec}{\bm{X}}\rangle=\sum_{i_{1},\ldots,i_{D}}\beta_{i_{1}\ldots i_{D}}x_{i_{1}\ldots i_{D}}$. This model, if with no further simplification, is prohibitive given its gigantic dimensionality: $p_{0}+\prod_{d=1}^{D}p_{d}$. Motivated by a commonly used tensor decomposition, Zhou et al., (2013) introduced a low rank structure on the coefficient array ${\bm{B}}$. That is, ${\bm{B}}$ is assumed to follow a rank-$R$ CANDECOMP/PARAFAC (CP) decomposition (Kolda and Bader,, 2009), $\displaystyle{\bm{B}}=\sum_{r=1}^{R}\mbox{\boldmath$\beta$}_{1}^{(r)}\circ\cdots\circ\mbox{\boldmath$\beta$}_{D}^{(r)},$ (2) where $\mbox{\boldmath$\beta$}_{d}^{(r)}\in\mathrm{I\\!R}\mathit{{}^{p_{d}}}$ are all column vectors, $d=1,\ldots,D,r=1,\ldots,R$, and $\circ$ denotes an outer product among vectors. Here the outer product ${\bm{b}}_{1}\circ{\bm{b}}_{2}\circ\cdots\circ{\bm{b}}_{D}$ of $D$ vectors ${\bm{b}}_{d}\in\mathrm{I\\!R}\mathit{{}^{p_{d}}}$, $d=1,\ldots,D$, is defined as the $p_{1}\times\cdots\times p_{D}$ array with entries $({\bm{b}}_{1}\circ{\bm{b}}_{2}\circ\cdots\circ{\bm{b}}_{D})_{i_{1}\cdots i_{D}}=\prod_{d=1}^{D}b_{di_{d}}$. For convenience, this CP decomposition is often represented by a shorthand ${\bm{B}}=\llbracket{\bm{B}}_{1},\ldots,{\bm{B}}_{D}\rrbracket$, where ${\bm{B}}_{d}=[\mbox{\boldmath$\beta$}_{d}^{(1)},\ldots,\mbox{\boldmath$\beta$}_{d}^{(R)}]\in\mathrm{I\\!R}\mathit{{}^{p_{d}\times R}}$, $d=1,\ldots,D$. Combining (1) and (2) yields generalized linear tensor regression models of Zhou et al., (2013), where the dimensionality decreases to the scale of $p_{0}+R\times\sum_{d=1}^{D}p_{d}$. Under this setup, ultrahigh dimensionality of (1) is reduced to a manageable level, which in turn results in efficient estimation and prediction. For instance, for a regression with 128-by-128-by-128 MRI image and 5 usual covariates, the dimensionality is reduced from the order of $2,097,157=5+128^{3}$ to $389=5+128\times 3$ for a rank-1 model, and to $1,157=5+3\times 128\times 3$ for a rank-3 model. Zhou et al., (2013) showed that this low rank tensor model could provide a sound recovery of even high rank signals. In the tensor literature, there has been an important development parallel to CP decomposition, which is called Tucker decomposition, or higher-order singular value decomposition (HOSVD) (Kolda and Bader,, 2009). In this article, we propose a class of _Tucker tensor regression models_. To differentiate, we call the models of Zhou et al., (2013) _CP tensor regression models_. Specifically, we continue to adopt the model (1), but assume that the coefficient array ${\bm{B}}$ follows a Tucker decomposition, $\displaystyle{\bm{B}}=\sum_{r_{1}=1}^{R_{1}}\cdots\sum_{r_{D}=1}^{R_{D}}g_{r_{1},\ldots,r_{D}}\mbox{\boldmath$\beta$}_{1}^{(r_{1})}\circ\cdots\circ\mbox{\boldmath$\beta$}_{D}^{(r_{D})},$ (3) where $\mbox{\boldmath$\beta$}_{d}^{(r_{d})}\in\mathrm{I\\!R}\mathit{{}^{p_{d}}}$ are all column vectors, $d=1,\ldots,D,r_{d}=1,\ldots,R_{d}$, and $g_{r_{1},\ldots,r_{D}}$ are constants. It is often abbreviated as ${\bm{B}}=\llbracket{\bm{G}};{\bm{B}}_{1},\ldots,{\bm{B}}_{D}\rrbracket$, where ${\bm{G}}\in\mathrm{I\\!R}\mathit{{}^{R_{1}\times\cdots\times R_{D}}}$ is a $D$-dimensional _core tensor_ with entries $({\bm{G}})_{r_{1}\ldots r_{D}}=g_{r_{1},\ldots,r_{D}}$, and ${\bm{B}}_{d}\in\mathrm{I\\!R}\mathit{{}^{p_{d}\times R_{d}}}$ are the factor matrices. ${\bm{B}}_{d}$’s are usually orthogonal and can be thought of as the _principal components_ in each dimension (and thus the name, HOSVD). The number of parameters of a Tucker tensor model is in the order of $p_{0}+\sum_{d=1}^{D}R_{d}\times p_{d}$. Comparing the two decompositions (2) and (3), the key difference is that CP fixes the number of basis vectors $R$ along each dimension of ${\bm{B}}$ so that all ${\bm{B}}_{d}$’s have the _same_ number of columns (ranks). In contrast, Tucker allows the number $R_{d}$ to differ along different dimensions and ${\bm{B}}_{d}$’s could have _different_ ranks. This difference between the two decompositions seems minor; however, in the context of tensor regression modeling and neuroimging analysis, it has profound implications, and such implications motivate this article. On one hand, the Tucker tensor regression model shares the advantages of the CP tensor regression model, in that it effectively exploits the special structure of the tensor data, it substantially reduces the dimensionality to enable efficient model estimation, and it provides a sound low rank approximation to a potentially high rank signal. On the other hand, Tucker tensor regression offers a much more _flexible_ modeling framework than CP regression, as it allows distinct order along each dimension. When the orders are all identical, it includes the CP model as a special case. This flexibility leads to several improvements that are particularly useful for neuroimaging analysis. First, a Tucker model could be more parsimonious than a CP model thanks to the flexibility of different orders. For instance, suppose a 3D signal ${\bm{B}}\in\mathrm{I\\!R}\mathit{{}^{16\times 16\times 16}}$ admits a Tucker decomposition (3) with $R_{1}=R_{2}=2$ and $R_{3}=5$. It can only be recovered by a CP decomposition with $R=5$, costing 230 parameters. In contrast, the Tucker model is more parsimonious with only 131 parameters. This reduction of free parameters is valuable for medical imaging studies, as the number of subjects is often limited. Second, the freedom in the choice of different orders is useful when the tensor data is skewed in dimensions, which is common in neuroimaging data. For instance, in EEG, the two dimensions consist of electrodes (channels) and time, and the number of sampling time points usually far exceeds the number of channels. Third, even when all tensor modes have comparable sizes, the Tucker formulation explicitly models the interactions between factor matrices ${\bm{B}}_{d}$’s, and as such allows a finer grid search within a larger model space, which in turn may explain more trait variance. Finally, as we will show in Section 2.3, there exists a duality regarding the Tucker tensor model. Thanks to this duality, a Tucker tensor decomposition naturally lends itself to a principled way of imaging data downsizing, which, given the often limited sample size, again plays a practically very useful role in neuroimaging analysis. For these reasons, we feel it important to develop a complete methodology of Tucker tensor regression and its associated theory. The resulting Tucker tensor model carries a number of useful features. It performs dimension reduction through low rank tensor decomposition but in a supervised fashion, and as such avoids potential information loss in regression. It works for general array-valued image modalities and/or any combination of them, and for various types of responses, including continuous, binary, and count data. Besides, an efficient and highly scalable algorithm has been developed for the associated maximum likelihood estimation. This scalability is important considering the massive scale of imaging data. In addition, regularization has been studied in conjunction with the proposed model, yielding a collection of regularized Tucker tensor models, and particularly one that encourages sparsity of the core tensor to facilitate model selection among the defined Tucker model space. Recently there have been some increasing interests in matrix/tensor decomposition and their applications in brain imaging studies (Crainiceanu et al.,, 2011; Allen et al.,, 2011; Hoff,, 2011; Aston and Kirch,, 2012). Nevertheless, this article is distinct in that we concentrate on a regression framework with scalar response and tensor valued covariates. In contrast, Crainiceanu et al., (2011) and Allen et al., (2011) studied unsupervised decomposition, Hoff, (2011) considered model-based decomposition, whereas Aston and Kirch, (2012) focused on change point distribution estimation. The most closely related work to this article is Zhou et al., (2013); however, we feel our work is _not_ a simple extension of theirs. First of all, considering the complex nature of tensor, the development of the Tucker model estimation as well as its asymptotics is far from a trivial extension of the CP model of Zhou et al., (2013). Moreover, we offer a detailed comparison, both analytically (in Section 2.4) and numerically (in Sections 6.3 and 6.4), of the CP and Tucker decompositions in the context of regression with imaging/tensor covariates. We believe this comparison is crucial for an adequate comprehension of tensor regression models and supervised tensor decomposition in general. The rest of the article is organized as follows. Section 2 begins with a brief review of some preliminaries on tensor, and then presents the Tucker tensor regression model. Section 3 develops an efficient algorithm for maximum likelihood estimation. Section 4 derives inferential tools such as score, Fisher information, identifiability, consistency, and asymptotic normality. Section 5 investigates regularization method for the Tucker regression. Section 6 presents extensive numerical results. Section 7 concludes with some discussions and points to future extensions. All technical proofs are delegated to the Appendix. ## 2 Model ### 2.1 Preliminaries We start with a brief review of some matrix/array operations and results. Extensive references can be found in the survey paper (Kolda and Bader,, 2009). A _tensor_ is a multidimensional array. _Fibers_ of a tensor are the higher order analogue of matrix rows and columns. A fiber is defined by fixing every index but one. A matrix column is a mode-1 fiber and a matrix row is a mode-2 fiber. Third-order tensors have column, row, and tube fibers, respectively. We next review some important operators that transform a tensor into a vector/matrix. The _vec operator_ stacks the entries of a $D$-dimensional tensor ${\bm{B}}\in\mathrm{I\\!R}\mathit{{}^{p_{1}\times\cdots\times p_{D}}}$ into a column vector. Specifically, an entry $b_{i_{1}\ldots i_{D}}$ maps to the $j$-th entry of $\mathrm{vec}\,{\bm{B}}$ where $j=1+\sum_{d=1}^{D}(i_{d}-1)\prod_{d^{\prime}=1}^{d-1}p_{d^{\prime}}$. For instance, when $D=2$, the matrix entry at cell $(i_{1},i_{2})$ maps to position $j=1+i_{1}-1+(i_{2}-1)p_{1}=i_{1}+(i_{2}-1)p_{1}$, which is consistent with the more familiar $\mathrm{vec}$ operator on a matrix. The _mode- $d$ matricization_, ${\bm{B}}_{(d)}$, maps a tensor ${\bm{B}}$ into a $p_{d}\times\prod_{d^{\prime}\neq d}p_{d^{\prime}}$ matrix such that the $(i_{1},\ldots,i_{D})$ element of the array ${\bm{B}}$ maps to the $(i_{d},j)$ element of the matrix ${\bm{B}}_{(d)}$, where $j=1+\sum_{d^{\prime}\neq d}(i_{d^{\prime}}-1)\prod_{d^{\prime\prime}<d^{\prime},d^{\prime\prime}\neq d}p_{d^{\prime\prime}}$. When $D=1$, we observe that $\mathrm{vec}\,{\bm{B}}$ is the same as vectorizing the mode-1 matricization ${\bm{B}}_{(1)}$. The _mode-( $d,d^{\prime}$) matricization_ ${\bm{B}}_{(dd^{\prime})}\in\mathrm{I\\!R}\mathit{{}^{p_{d}p_{d^{\prime}}\times\prod_{d^{\prime\prime}\neq d,d^{\prime}}p_{d^{\prime\prime}}}}$ is defined in a similar fashion. We then define the _mode- $d$ multiplication_ of the tensor ${\bm{B}}$ with a matrix ${\bm{U}}\in\mathrm{I\\!R}\mathit{{}^{p_{d}\times q}}$, denoted by ${\bm{B}}\times_{d}{\bm{U}}\in\mathrm{I\\!R}\mathit{{}^{p_{1}\times\cdots\times q\times\cdots\times p_{D}}}$, as the multiplication of the mode-$d$ fibers of ${\bm{B}}$ by ${\bm{U}}$. In other words, the mode-$d$ matricization of ${\bm{B}}\times_{d}{\bm{U}}$ is ${\bm{U}}{\bm{B}}_{(d)}$. We also review two properties of a tensor ${\bm{B}}$ that admits a Tucker decomposition (3). The mode-$d$ matricization of ${\bm{B}}$ can be expresses as $\displaystyle{\bm{B}}_{(d)}={\bm{B}}_{d}{\bm{G}}_{(d)}({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{d+1}\otimes{\bm{B}}_{d-1}\otimes\cdots\otimes{\bm{B}}_{1})^{\mbox{\tiny{\sf T}}},$ where $\otimes$ denotes the Kronecker product of matrices. If applying the $\mathrm{vec}$ operator to ${\bm{B}}$, then $\displaystyle\mathrm{vec}{\bm{B}}=\mathrm{vec}{\bm{B}}_{(1)}=\mathrm{vec}({\bm{B}}_{1}{\bm{G}}_{(1)}({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{2})^{\mbox{\tiny{\sf T}}})=({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1})\mathrm{vec}{\bm{G}}.$ These two properties are useful for our subsequent Tucker regression development. ### 2.2 Tucker Regression Model We elaborate on the Tucker tensor regression model introduced in Section 1. We assume that $Y$ belongs to an exponential family with probability mass function or density (McCullagh and Nelder,, 1983), $\displaystyle p(y_{i}|\theta_{i},\phi)=\exp\left\\{\frac{y_{i}\theta_{i}-b(\theta_{i})}{a(\phi)}+c(y_{i},\phi)\right\\}$ with the first two moments $E(Y_{i})=\mu_{i}=b^{\prime}(\theta_{i})$ and $\mathrm{Var}(Y_{i})=\sigma_{i}^{2}=b^{\prime\prime}(\theta_{i})a_{i}(\phi)$. $\theta$ and $\phi>0$ are, respectively, called the natural and dispersion parameters. We assume the systematic part of GLM is of the form $\displaystyle g(\mu)=\eta=\mbox{\boldmath$\gamma$}^{\mbox{\tiny{\sf T}}}{\bm{Z}}+\langle\sum_{r_{1}=1}^{R_{1}}\cdots\sum_{r_{D}=1}^{R_{D}}g_{r_{1},\ldots,r_{D}}\mbox{\boldmath$\beta$}_{1}^{(r_{1})}\circ\cdots\circ\mbox{\boldmath$\beta$}_{D}^{(r_{D})},{\bm{X}}\rangle.$ (4) That is, we impose a Tucker structure on the array coefficient ${\bm{B}}$. We make a few remarks. First, in this article, we consider the problem of estimating the core tensor ${\bm{G}}$ and factor matrices ${\bm{B}}_{d}$ simultaneously given the response $Y$ and covariates ${\bm{X}}$ and ${\bm{Z}}$. This can be viewed as a _supervised_ version of the classical unsupervised Tucker decomposition. It is also a supervised version of principal components analysis for higher-order multidimensional array. Unlike a two-stage solution that first performs principal components analysis and then fits a regression model, the basis (principal components) ${\bm{B}}_{d}$ in our models are estimated under the guidance (supervision) of the response variable. Second, the CP model of Zhou et al., (2013) corresponds to a special case of the Tucker model (4) with $g_{r_{1},\ldots,r_{D}}=1_{\\{r_{1}=\cdots=r_{D}\\}}$ and $R_{1}=\ldots=R_{D}=R$. In other words, the CP model is a specific Tucker model with a super-diagonal core tensor ${\bm{G}}$. The CP model has a rank at most $R$ while the general Tucker model can have a rank as high as $R^{D}$. We will further compare the two model sizes in Section 2.4. ### 2.3 Duality and Tensor Basis Pursuit Next we investigate a duality regarding the inner product between a general tensor and a tensor that admits a Tucker decomposition. ###### Lemma 1 (Duality). Suppose a tensor ${\bm{B}}\in\mathrm{I\\!R}\mathit{{}^{p_{1}\times\cdots\times p_{D}}}$ admits Tucker decomposition ${\bm{B}}=\llbracket{\bm{G}};{\bm{B}}_{1},\ldots,{\bm{B}}_{D}\rrbracket$. Then, for any tensor ${\bm{X}}\in\mathrm{I\\!R}\mathit{{}^{p_{1}\times\cdots\times p_{D}}}$, $\langle{\bm{B}},{\bm{X}}\rangle=\langle{\bm{G}},\tilde{\bm{X}}\rangle$, where $\tilde{\bm{X}}$ admits a Tucker decomposition $\tilde{\bm{X}}=\llbracket{\bm{X}};{\bm{B}}_{1}^{\mbox{\tiny{\sf T}}},\ldots,{\bm{B}}_{D}^{\mbox{\tiny{\sf T}}}\rrbracket$. This duality gives some important insights to the Tucker tensor regression model. First, if we consider ${\bm{B}}_{d}\in\mathrm{I\\!R}\mathit{{}^{p_{d}\times R_{d}}}$ as fixed and known basis matrices, then Lemma 1 says fitting the Tucker tensor regression model (4) is equivalent to fitting a tensor regression model in ${\bm{G}}$ with the _transformed_ data $\tilde{\bm{X}}=\llbracket{\bm{X}};{\bm{B}}_{1}^{\mbox{\tiny{\sf T}}},\ldots,{\bm{B}}_{D}^{\mbox{\tiny{\sf T}}}\rrbracket\in\mathrm{I\\!R}\mathit{{}^{R_{1}\times\cdots\times R_{D}}}$. When $R_{d}\ll p_{d}$, the transformed data $\tilde{\bm{X}}$ effectively _downsize_ the original data. We will further illustrate this downsizing feature in the real data analysis in Section 6.4. Second, in applications where the numbers of basis vectors $R_{d}$ are unknown, we can utilize possibly over-complete basis matrices ${\bm{B}}_{d}$ such that $R_{d}\geq p_{d}$, and then estimate ${\bm{G}}$ with sparsity regularizations. This leads to a tensor version of the classical basis pursuit problem (Chen et al.,, 2001). Take fMRI data as an example. We can adopt the wavelet basis for the three image dimensions and the Fourier basis for the time dimension. Regularization on ${\bm{G}}$ can be achieved by either imposing a low rank decomposition (CP or Tucker) on ${\bm{G}}$ (hard thresholding) or penalized regression (soft thresholding). We will investigate Tucker regression regularization in details in Section 5. ### 2.4 Model Size: Tucker vs CP In this section we investigate the size of the Tucker tensor model. Comparison with the size of the CP tensor model helps gain better understanding of both models. In addition, it provides a base for data adaptive selection of appropriate orders in a Tucker model. First we quickly review the number of free parameters $p_{\text{C}}$ for a CP model ${\bm{B}}=\llbracket{\bm{B}}_{1},\ldots,{\bm{B}}_{d}\rrbracket$, with ${\bm{B}}_{d}\in\mathrm{I\\!R}\mathit{{}^{p_{d}\times R}}$. For $D=2$, $p_{\text{C}}=R(p_{1}+p_{2})-R^{2}$, and for $D>2$, $p_{\text{C}}=R(\sum_{d=1}^{D}p_{d}-D+1)$. For $D=2$, the term $-R^{2}$ adjusts for the nonsingular transformation indeterminacy for model identifiability; for $D>2$, the term $R(-D+1)$ adjusts for the scaling indeterminacy in the CP decomposition. See Zhou et al., (2013) for more details. Following similar arguments, we obtain that the number of free parameters $p_{\text{T}}$ in a Tucker model ${\bm{B}}=\llbracket{\bm{G}};{\bm{B}}_{1},\ldots,{\bm{B}}_{d}\rrbracket$, with ${\bm{G}}\in\mathrm{I\\!R}\mathit{{}^{R_{1}\times\cdots\times R_{d}}}$ and ${\bm{B}}_{d}\in\mathrm{I\\!R}\mathit{{}^{p_{d}\times R_{d}}}$, is $\displaystyle p_{\text{T}}=\sum_{d=1}^{D}p_{d}R_{d}+\prod_{d=1}^{D}R_{d}-\sum_{d=1}^{D}R_{d}^{2},$ for any $D$. Here the term -$\sum_{d=1}^{D}R_{d}^{2}$ adjusts for the non- singular transformation indeterminancy in the Tucker decomposition. We summarize these results in Table 1. Next we compare the two model sizes (degrees of freedom) under an additional assumption that $R_{1}=\cdots=R_{d}=R$. The difference becomes: $\displaystyle p_{\text{T}}-p_{\text{C}}=\begin{cases}0&\textrm{ when }D=2,\\\ R(R-1)(R-2)&\textrm{ when }D=3,\\\ R(R^{3}-4R+3)&\textrm{ when }D=4,\\\ R(R^{D-1}-DR+D-1)&\textrm{ when }D>4.\end{cases}$ Based on this formula, when $D=2$, the Tucker model is essentially the same as the CP model. When $D=3$, Tucker has the same number of parameters as CP for $R=1$ or $R=2$, but costs $R(R-1)(R-2)$ more parameters for $R>2$. When $D>3$, Tucker and CP are the same for $R=1$, but Tucker costs substantially more parameters than CP for $R>2$. For instance, when $D=4$ and $R=3$, Tucker model takes 54 more parameters than the CP model. However, one should bear in mind that the above discussion assumes $R_{1}=\cdots=R_{d}=R$. In reality, Tucker could require _less_ free parameters than CP, as shown in the illustrative example given in Section 1, since Tucker is more flexible and allows different order $R_{d}$ along each dimension. Table 1: Number of free parameters in Tucker and CP models. | CP | Tucker ---|---|--- $D=2$ | $R(p_{1}+p_{2})-R^{2}$ | $p_{1}R_{1}+p_{2}R_{2}+R_{1}R_{2}-R_{1}^{2}-R_{2}^{2}$ $D>2$ | $R(\sum_{d}p_{d}-D+1)$ | $\sum_{d}p_{d}R_{d}+\prod_{d}R_{d}-\sum_{d}R_{d}^{2}$ Figure 1 shows an example with $D=3$ dimensional array covariates. Half of the true signal (brain activity map) ${\bm{B}}$ is displayed in the left panel, which is by no means a low rank signal. Suppose 3D images ${\bm{X}}_{i}$ are taken on $n=1,000$ subjects. We simulate image traits ${\bm{X}}_{i}$ from independent standard normals and quantitative traits $Y_{i}$ from independent normals with mean $\langle{\bm{X}}_{i},{\bm{B}}\rangle$ and unit variance. Given the limited sample size, the hope is to infer a reasonable low rank approximation to the activity map from the 3D image covariates. The right panel displays the model deviance versus the degrees of freedom of a series of CP and Tucker model estimates. The CP model is estimated at ranks $R=1,\ldots,5$. The Tucker model is fitted at orders $(R_{1},R_{2},R_{3})=(1,1,1)$, $(2,2,2)$, $(3,3,3)$, $(4,4,3)$, $(4,4,4)$, $(5,4,4)$, $(5,5,4)$, and $(5,5,5)$. We see from the plot that, under the same number of free parameters, the Tucker model could generally achieve a better model fit with a smaller deviance. (Note that the deviance is in the log scale, so a small discrepancy between the two lines translates to a large value of difference in deviance.) $\begin{array}[]{cc}\includegraphics[width=166.2212pt]{fig_skull_half}&\includegraphics[width=166.2212pt]{fig_skull_dev_vs_dof}\end{array}$ Figure 1: Left: half of the true signal array ${\bm{B}}$. Right: Deviances of CP regression estimates at $R=1,\ldots,5$, and Tucker regression estimates at orders $(R_{1},R_{2},R_{3})=(1,1,1)$, $(2,2,2)$, $(3,3,3)$, $(4,4,3)$, $(4,4,4)$, $(5,4,4)$, $(5,5,4)$, and $(5,5,5)$. The sample size is $n=1000$. The explicit model size formula of the Tucker model is also useful for choosing appropriate orders $R_{d}$’s along each direction given data. This can be treated as a model selection problem, and we can employ a typical model selection criterion, e.g., Bayesian information criterion (BIC). It is of the form: $-2\log\ell+\log(n)p_{e}$, where $\ell$ is the log-likelihood, and $p_{e}=p_{\text{T}}$ is the effective number of parameters of the Tucker model as given in Table 1. We will illustrate this BIC criterion in the numerical Section 6.1, and will discuss some heuristic guidelines of selecting orders in Section 6.4. ## 3 Estimation We pursue the maximum likelihood estimation (MLE) for the Tucker tensor regression model and develop a scalable estimation algorithm in this section. The key observation is that, although the systematic part (4) is not linear in ${\bm{G}}$ and ${\bm{B}}_{d}$ _jointly_ , it is linear in them _separately_. This naturally suggests a block relaxation algorithm, which updates each factor matrix ${\bm{B}}_{d}$ and the core tensor ${\bm{G}}$ _alternately_. The algorithm consists of two core steps. First, when updating ${\bm{B}}_{d}\in\mathrm{I\\!R}\mathit{{}^{p_{d}\times R_{d}}}$ with the rest ${\bm{B}}_{d^{\prime}}$’s and ${\bm{G}}$ fixed , we rewrite the array inner product in (4) as $\displaystyle\langle{\bm{B}},{\bm{X}}\rangle$ $\displaystyle=$ $\displaystyle\langle{\bm{B}}_{(d)},{\bm{X}}_{(d)}\rangle$ $\displaystyle=$ $\displaystyle\langle{\bm{B}}_{d}{\bm{G}}_{(d)}({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{d+1}\otimes{\bm{B}}_{d-1}\otimes\cdots\otimes{\bm{B}}_{1})^{\mbox{\tiny{\sf T}}},{\bm{X}}_{(d)}\rangle$ $\displaystyle=$ $\displaystyle\langle{\bm{B}}_{d},{\bm{X}}_{(d)}({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{d+1}\otimes{\bm{B}}_{d-1}\otimes\cdots\otimes{\bm{B}}_{1}){\bm{G}}_{(d)}^{\mbox{\tiny{\sf T}}}\rangle.$ Then the problem turns into a GLM regression with ${\bm{B}}_{d}$ as the “parameter” and the term ${\bm{X}}_{(d)}({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{d+1}\otimes{\bm{B}}_{d-1}\otimes\cdots\otimes{\bm{B}}_{1}){\bm{G}}_{(d)}^{\mbox{\tiny{\sf T}}}$ as the “predictor”. It is a low dimensional GLM with only $p_{d}R_{d}$ parameters and thus is easy to solve. Second, when updating ${\bm{G}}\in\mathrm{I\\!R}\mathit{{}^{R_{1}\times\cdots\times R_{D}}}$ with all ${\bm{B}}_{d}$’s fixed, $\displaystyle\langle{\bm{B}},{\bm{X}}\rangle$ $\displaystyle=$ $\displaystyle\langle\mathrm{vec}{\bm{B}},\mathrm{vec}{\bm{X}}\rangle$ $\displaystyle=$ $\displaystyle\langle({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1})\mathrm{vec}{\bm{G}},\mathrm{vec}{\bm{X}}\rangle$ $\displaystyle=$ $\displaystyle\langle\mathrm{vec}{\bm{G}},({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1})^{\mbox{\tiny{\sf T}}}\mathrm{vec}{\bm{X}}\rangle.$ This implies a GLM regression with $\mathrm{vec}{\bm{G}}$ as the “parameter” and the term $({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1})^{\mbox{\tiny{\sf T}}}\mathrm{vec}{\bm{X}}$ as the ”predictor”. Again this is a low dimensional regression problem with $\prod_{d}R_{d}$ parameters. For completeness, we summarize the above alternating estimation procedure in Algorithm 1. The orthogonality between the columns of factor matrices ${\bm{B}}_{d}$ is not enforced as in unsupervised HOSVD, because our primary goal is approximating tensor signal instead of finding the principal components along each mode. Initialize: $\mbox{\boldmath$\gamma$}^{(0)}=\mbox{argmax}_{\mbox{\boldmath$\gamma$}}\,\ell(\mbox{\boldmath$\gamma$},{\bf 0},\ldots,{\bf 0})$, ${\bm{B}}_{d}^{(0)}\in$ $\mathrm{I\\!R}\mathit{{}^{p_{d}\times R_{d}}}$ a random matrix for $d=1,\ldots,D$, and ${\bm{G}}^{(0)}\in\mathrm{I\\!R}\mathit{{}^{R_{1}\times\cdots\times R_{D}}}$ a random matrix. repeat for $d=1,\ldots,D$ do ${\bm{B}}_{d}^{(t+1)}=\mbox{argmax}_{{\bm{B}}_{d}}\,\ell(\mbox{\boldmath$\gamma$}^{(t)},{\bm{B}}_{1}^{(t+1)},\ldots,{\bm{B}}_{d-1}^{(t+1)},{\bm{B}}_{d},{\bm{B}}_{d+1}^{(t)},\ldots,{\bm{B}}_{D}^{(t)},{\bm{G}}^{(t)})$ end for ${\bm{G}}^{(t+1)}=\mbox{argmax}_{{\bm{G}}}\,\ell(\mbox{\boldmath$\gamma$}^{(t)},{\bm{B}}_{1}^{(t+1)},\ldots,{\bm{B}}_{D}^{(t+1)},{\bm{G}})$ $\mbox{\boldmath$\gamma$}^{(t+1)}=\mbox{argmax}_{\mbox{\boldmath$\gamma$}}\,\ell(\mbox{\boldmath$\gamma$},{\bm{B}}_{1}^{(t+1)},\ldots,{\bm{B}}_{D}^{(t+1)},{\bm{G}}^{(t+1)})$ until $\ell(\mbox{\boldmath$\theta$}^{(t+1)})-\ell(\mbox{\boldmath$\theta$}^{(t)})<\epsilon$ Algorithm 1 Block relaxation algorithm for fitting the Tucker tensor regression. Next we study the convergence properties of the proposed algorithm. As the block relaxation algorithm monotonically increases the objective value, the stopping criterion is well-defined and the convergence properties of iterates follow from the standard theory for monotone algorithms (de Leeuw,, 1994; Lange,, 2010). The proof of next result is given in the Appendix. ###### Proposition 1. Assume (i) the log-likelihood function $\ell$ is continuous, coercive, i.e., the set $\\{\mbox{\boldmath$\theta$}:\ell(\mbox{\boldmath$\theta$})\geq\ell(\mbox{\boldmath$\theta$}^{(0)})\\}$ is compact, and bounded above, (ii) the objective function in each block update of Algorithm 1 is strictly concave, and (iii) the set of stationary points (modulo nonsingular transformation indeterminacy) of $\ell(\mbox{\boldmath$\gamma$},{\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})$ are isolated. We have the following results. 1. 1. (Global Convergence) The sequence $\mbox{\boldmath$\theta$}^{(t)}=(\mbox{\boldmath$\gamma$}^{(t)},{\bm{G}}^{(t)},{\bm{B}}_{1}^{(t)},\ldots,{\bm{B}}_{D}^{(t)})$ generated by Algorithm 1 converges to a stationary point of $\ell(\mbox{\boldmath$\gamma$},{\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})$. 2. 2. (Local Convergence) Let $\mbox{\boldmath$\theta$}^{(\infty)}=(\mbox{\boldmath$\gamma$}^{(\infty)},{\bm{G}}^{(\infty)},{\bm{B}}_{1}^{(\infty)},\ldots,{\bm{B}}_{D}^{(\infty)})$ be a strict local maximum of $\ell$. The iterates generated by Algorithm 1 are locally attracted to $\mbox{\boldmath$\theta$}^{(\infty)}$ for $\mbox{\boldmath$\theta$}^{(0)}$ sufficiently close to $\mbox{\boldmath$\theta$}^{(\infty)}$. ## 4 Statistical Theory In this section we study the usual large $n$ asymptotics of the proposed Tucker tensor regression. Regularization is treated in the next section for the small or moderate $n$ cases. For simplicity, we drop the classical covariate ${\bm{Z}}$ in this section, but all the results can be straightforwardly extended to include ${\bm{Z}}$. We also remark that, although the usually limited sample size of neuroimging studies makes the large $n$ asymptotics seem irrelevant, we still believe such an asymptotic investigation important, for several reasons. First, when the sample size $n$ is considerably larger than the effective number of parameters $p_{\text{T}}$, the asymptotic study tells us that the model is consistently estimating the best Tucker structure approximation to the full array model in the sense of Kullback-Liebler distance. Second, the explicit formula for score and information are not only useful for asymptotic theory but also for computation, while the identifiability issue has to be properly dealt with for the given model. Finally, the regular asymptotics can be of practical relevance, for instance, can be useful in a likelihood ratio type test in a replication study. ### 4.1 Score and Information We first derive the score and information for the tensor regression model, which are essential for statistical estimation and inference. The following standard calculus notations are used. For a scalar function $f$, $\nabla f$ is the (column) gradient vector, $df=[\nabla f]^{\mbox{\tiny{\sf T}}}$ is the differential, and $d^{2}f$ is the Hessian matrix. For a multivariate function $g:\mathrm{I\\!R}\mathit{{}^{p}}\mapsto\mathrm{I\\!R}\mathit{{}^{q}}$, $Dg\in\mathrm{I\\!R}\mathit{{}^{p\times q}}$ denotes the Jacobian matrix holding partial derivatives $\frac{\partial g_{j}}{\partial x_{i}}$. We start from the Jacobian and Hessian of the systematic part $\eta\equiv g(\mu)$ in (4). ###### Lemma 2. 1. 1. The gradient $\nabla\eta({\bm{B}}_{1},\ldots,{\bm{B}}_{D})\in\mathrm{I\\!R}\mathit{{}^{\prod_{d}R_{d}+\sum_{d=1}^{D}p_{d}R_{d}}}$ is $\displaystyle\nabla\eta({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})=[{\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1}\,\,{\bm{J}}_{1}\,\,{\bm{J}}_{2}\,\,\cdots\,\,{\bm{J}}_{D}]^{\mbox{\tiny{\sf T}}}(\mathrm{vec}{\bm{X}}),$ where ${\bm{J}}_{d}\in\mathrm{I\\!R}\mathit{{}^{\prod_{d=1}^{D}p_{d}\times p_{d}R_{d}}}$ is the Jacobian $\displaystyle{\bm{J}}_{d}=D{\bm{B}}({\bm{B}}_{d})=\mbox{\boldmath$\Pi$}_{d}\\{[({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{d+1}\otimes{\bm{B}}_{d-1}\otimes\cdots\otimes{\bm{B}}_{1}){\bm{G}}_{(d)}^{\mbox{\tiny{\sf T}}}]\otimes{\bm{I}}_{p_{d}}\\}$ (5) and $\mbox{\boldmath$\Pi$}_{d}$ is the $(\prod_{d=1}^{D}p_{d})$-by-$(\prod_{d=1}^{D}p_{d})$ permutation matrix that reorders $\mathrm{vec}{\bm{B}}_{(d)}$ to obtain $\mathrm{vec}{\bm{B}}$, i.e., $\mathrm{vec}{\bm{B}}=\mbox{\boldmath$\Pi$}_{d}\,\mathrm{vec}{\bm{B}}_{(d)}.$ 2. 2. Let the Hessian $d^{2}\eta({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})\in\mathrm{I\\!R}\mathit{{}^{(\prod_{d}R_{d}+\sum_{d}p_{d}R_{d})\times(\prod_{d}R_{d}+\sum_{d}p_{d}R_{d})}}$ be partitioned into four blocks ${\bm{H}}_{{\bm{G}},{\bm{G}}}\in\mathrm{I\\!R}\mathit{{}^{\prod_{d}R_{d}\times\prod_{d}R_{d}}}$, ${\bm{H}}_{{\bm{G}},{\bm{B}}}={\bm{H}}_{{\bm{B}},{\bm{G}}}^{\mbox{\tiny{\sf T}}}\in\mathrm{I\\!R}\mathit{{}^{\prod_{d}R_{d}\times\sum_{d}p_{d}R_{d}}}$ and ${\bm{H}}_{{\bm{B}},{\bm{B}}}\in\mathrm{I\\!R}\mathit{{}^{\sum_{d}p_{d}R_{d}\times\sum_{d}p_{d}R_{d}}}$. Then ${\bm{H}}_{{\bm{G}},{\bm{G}}}={\bf 0}$, ${\bm{H}}_{{\bm{G}},{\bm{B}}}$ has entries $\displaystyle h_{(r_{1},\ldots,r_{D}),(i_{d},s_{d})}$ $\displaystyle=$ $\displaystyle 1_{\\{r_{d}=s_{d}\\}}\sum_{j_{d}=i_{d}}x_{j_{1},\ldots,j_{D}}\prod_{d^{\prime}\neq d}\beta_{j_{d^{\prime}}}^{(r_{d^{\prime}})},$ and ${\bm{H}}_{{\bm{B}},{\bm{B}}}$ has entries $\displaystyle h_{(i_{d},r_{d}),(i_{d^{\prime}},r_{d^{\prime}})}=1_{\\{d\neq d^{\prime}\\}}\sum_{j_{d}=i_{d},j_{d^{\prime}}=i_{d^{\prime}}}x_{j_{1},\ldots,j_{D}}\sum_{s_{d}=r_{d},s_{d^{\prime}}=r_{d^{\prime}}}g_{s_{1},\ldots,s_{D}}\prod_{d^{\prime\prime}\neq d,d^{\prime}}\beta_{j_{d^{\prime\prime}}}^{(s_{d^{\prime\prime}})}.$ Furthermore, ${\bm{H}}_{{\bm{B}},{\bm{B}}}$ can be partitioned in $D^{2}$ sub- blocks as $\displaystyle\left(\begin{array}[]{cccc}{\bf 0}&*&*&*\\\ {\bm{H}}_{21}&{\bf 0}&*&*\\\ \vdots&\vdots&\ddots&*\\\ {\bm{H}}_{D1}&{\bm{H}}_{D2}&\cdots&{\bf 0}\end{array}\right).$ The elements of sub-block ${\bm{H}}_{dd^{\prime}}\in\mathrm{I\\!R}\mathit{{}^{p_{d}R_{d}\times p_{d^{\prime}}R_{d^{\prime}}}}$ can be retrieved from the matrix ${\bm{X}}_{(dd^{\prime})}({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{d+1}\otimes{\bm{B}}_{d-1}\otimes\cdots\otimes{\bm{B}}_{d^{\prime}+1}\otimes{\bm{B}}_{d^{\prime}-1}\otimes\cdots\otimes{\bm{B}}_{1}){\bm{G}}_{(dd^{\prime})}^{\mbox{\tiny{\sf T}}}.$ ${\bm{H}}_{{\bm{G}},{\bm{B}}}$ can be partitioned into $D$ sub-blocks as $({\bm{H}}_{1},\ldots,{\bm{H}}_{D})$. The sub-block ${\bm{H}}_{d}\in\mathrm{I\\!R}\mathit{{}^{\prod_{d}R_{d}\times p_{d}R_{d}}}$ has at most $p_{d}\prod_{d}R_{d}$ nonzero entries which can be retrieved from the matrix $\displaystyle{\bm{X}}_{(d)}({\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{d+1}\otimes{\bm{B}}_{d-1}\otimes\cdots\otimes{\bm{B}}_{1}).$ Let $\ell({\bm{B}}_{1},\ldots,{\bm{B}}_{D}|y,{\bm{x}})=\ln p(y|{\bm{x}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})$ be the log-density of GLM. Next result derives the score function, Hessian, and Fisher information of the Tucker tensor regression model. ###### Proposition 2. Consider the tensor regression model defined by (2.2) and (4). 1. 1. The score function (or score vector) is $\displaystyle\nabla\ell({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})=\frac{(y-\mu)\mu^{\prime}(\eta)}{\sigma^{2}}\nabla\eta({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})$ (7) with $\nabla\eta({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})$ given in Lemma 2. 2. 2. The Hessian of the log-density $\ell$ is $\displaystyle H({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})$ (8) $\displaystyle=$ $\displaystyle-\left[\frac{[\mu^{\prime}(\eta)]^{2}}{\sigma^{2}}-\frac{(y-\mu)\theta^{\prime\prime}(\eta)}{\sigma^{2}}\right]\nabla\eta({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})d\eta({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})$ $\displaystyle+\frac{(y-\mu)\theta^{\prime}(\eta)}{\sigma^{2}}d^{2}\eta({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D}),$ with $d^{2}\eta$ defined in Lemma 2. 3. 3. The Fisher information matrix is $\displaystyle{\bm{I}}({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})$ (9) $\displaystyle=$ $\displaystyle E[-H({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})]$ $\displaystyle=$ $\displaystyle\mathrm{Var}[\nabla\ell({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})d\ell({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})]$ $\displaystyle=$ $\displaystyle\frac{[\mu^{\prime}(\eta)]^{2}}{\sigma^{2}}[{\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1}\,\,{\bm{J}}_{1}\ldots{\bm{J}}_{D}]^{\mbox{\tiny{\sf T}}}(\mathrm{vec}{\bm{X}})(\mathrm{vec}{\bm{X}})^{\mbox{\tiny{\sf T}}}[{\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1}\,\,{\bm{J}}_{1}\ldots{\bm{J}}_{D}].$ Remark 2.1: For canonical link, $\theta=\eta$, $\theta^{\prime}(\eta)=1$, $\theta^{\prime\prime}(\eta)=0$, and the second term of Hessian vanishes. For the classical GLM with linear systematic part ($D=1$), $d^{2}\eta({\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})$ is zero and thus the third term of Hessian vanishes. For the classical GLM ($D=1$) with canonical link, both second and third terms of the Hessian vanish and thus the Hessian is non-stochastic, coinciding with the information matrix. ### 4.2 Identifiability The Tucker decomposition (3) is unidentifiable due to the nonsingular transformation indeterminacy. That is $\displaystyle\llbracket{\bm{G}};{\bm{B}}_{1},\ldots,{\bm{B}}_{D}\rrbracket=\llbracket{\bm{G}}\times_{1}{\bm{O}}_{1}^{-1}\times\cdots\times_{D}{\bm{O}}_{D}^{-1};{\bm{B}}_{1}{\bm{O}}_{1},\ldots,{\bm{B}}_{D}{\bm{O}}_{D}\rrbracket$ for any nonsingular matrices ${\bm{O}}_{d}\in\mathrm{I\\!R}\mathit{{}^{R_{d}\times R_{d}}}$. This implies that the number of free parameters for a Tucker model is $\sum_{d}p_{d}R_{d}+\prod_{d}R_{d}-\sum_{d}R_{d}^{2}$, with the last term adjusting for nonsingular indeterminacy. Therefore the Tucker model is identifiable only in terms of the equivalency classes. For asymptotic consistency and normality, it is necessary to adopt a specific constrained parameterization. It is common to impose the orthonormality constraint on the factor matrices ${\bm{B}}_{d}^{\mbox{\tiny{\sf T}}}{\bm{B}}_{d}={\bm{I}}_{R_{d}}$, $d=1,\ldots,D$. However the resulting parameter space is a manifold and much harder to deal with. We adopt an alternative parameterization that fixes the entries of the first $R_{d}$ rows of ${\bm{B}}_{d}$ to be ones $\displaystyle{\cal{\bm{B}}}=\\{\llbracket{\bm{G}};{\bm{B}}_{1},\ldots,{\bm{B}}_{D}\rrbracket:\beta_{i_{d}}^{(r)}=1,i_{d}=1,\ldots,R_{d},d=1,\ldots,D\\}.$ The formulae for score, Hessian and information in Proposition 2 require changes accordingly. The entries in the first $R_{d}$ rows of ${\bm{B}}_{d}$ are fixed at ones and their corresponding entries, rows and columns in score, Hessian and information need to be deleted. Choice of the restricted space $\mathcal{{\bm{B}}}$ is obviously arbitrary, and excludes arrays with any entries in the first rows of ${\bm{B}}_{d}$ equal to zeros. However the set of such exceptional arrays has Lebesgue measure zero. In specific applications, subject knowledge may suggest alternative restrictions on the parameters. Given a finite sample size, conditions for global identifiability of parameters are in general hard to obtain except in the linear case ($D=1$). Local identifiability essentially requires linear independence between the “collapsed” vectors $[{\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1}\,\,{\bm{J}}_{1}\ldots{\bm{J}}_{D}]^{\mbox{\tiny{\sf T}}}\mathrm{vec}{\bm{x}}_{i}\in\mathrm{I\\!R}\mathit{{}^{\sum_{d}p_{d}R_{d}+\prod_{d}R_{d}-\sum_{d}R_{d}^{2}}}$. ###### Proposition 3 (Identifiability). Given iid data points $\\{(y_{i},{\bm{x}}_{i}),i=1,\ldots,n\\}$ from the Tucker tensor regression model. Let ${\bm{B}}_{0}\in\mathcal{{\bm{B}}}$ be a parameter point and assume there exists an open neighborhood of ${\bm{B}}_{0}$ in which the information matrix has a constant rank. Then ${\bm{B}}_{0}$ is locally identifiable if and only if $\displaystyle I({\bm{B}}_{0})=[{\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1}\,\,{\bm{J}}_{1}\ldots{\bm{J}}_{D}]^{\mbox{\tiny{\sf T}}}\left[\sum_{i=1}^{n}\frac{\mu^{\prime}(\eta_{i})^{2}}{\sigma_{i}^{2}}(\mathrm{vec}\,{\bm{x}}_{i})(\mathrm{vec}\,{\bm{x}}_{i})^{\mbox{\tiny{\sf T}}}\right][{\bm{B}}_{D}\otimes\cdots\otimes{\bm{B}}_{1}\,\,{\bm{J}}_{1}\ldots{\bm{J}}_{D}]$ is nonsingular. ### 4.3 Asymptotics The asymptotics for tensor regression follow from those for MLE or M-estimation. The key observation is that the nonlinear part of tensor model (4) is a degree-$D$ polynomial of parameters and the collection of polynomials $\\{\langle{\bm{B}},{\bm{X}}\rangle,{\bm{B}}\in\mathcal{{\bm{B}}}\\}$ form a Vapnik-C̆ervonenkis (VC) class. Then the classical uniform convergence theory applies (van der Vaart,, 1998). For asymptotic normality, we need to establish that the log-likelihood function of tensor regression model is quadratic mean differentiable (Lehmann and Romano,, 2005). A sketch of the proof is given in the Appendix. ###### Theorem 1. Assume ${\bm{B}}_{0}\in\mathcal{{\bm{B}}}$ is (globally) identifiable up to permutation and the array covariates ${\bm{X}}_{i}$ are iid from a bounded underlying distribution. 1. 1. (Consistency) The MLE is consistent, i.e., $\hat{\bm{B}}_{n}$ converges to ${\bm{B}}_{0}$ in probability, in following models. (1) Normal tensor regression with a compact parameter space $\mathcal{{\bm{B}}}_{0}\subset\mathcal{{\bm{B}}}$. (2) Binary tensor regression. (3) Poisson tensor regression with a compact parameter space $\mathcal{{\bm{B}}}_{0}\subset\mathcal{{\bm{B}}}$. 2. 2. (Asymptotic Normality) For an interior point ${\bm{B}}_{0}\in\mathcal{{\bm{B}}}$ with nonsingular information matrix ${\bm{I}}({\bm{B}}_{0})$ (9) and $\hat{\bm{B}}_{n}$ is consistent, $\sqrt{n}(\mathrm{vec}\hat{\bm{B}}_{n}-\mathrm{vec}{\bm{B}}_{0})$ converges in distribution to a normal with mean zero and covariance matrix ${\bm{I}}^{-1}({\bm{B}}_{0})$. In practice it is rare that the true regression coefficient ${\bm{B}}_{\text{true}}\in\mathrm{I\\!R}\mathit{{}^{p_{1}\times\cdots\times p_{D}}}$ is exactly a low rank tensor. However the MLE of the rank-$R$ tensor model converges to the maximizer of function $M({\bm{B}})=\mathbb{P}_{{\bm{B}}_{\text{true}}}\ln p_{{\bm{B}}}$ or equivalently $\mathbb{P}_{{\bm{B}}_{\text{true}}}\ln(p_{{\bm{B}}}/p_{{\bm{B}}_{\text{true}}})$. In other words, the MLE consistently estimates the best approximation (among models in ${\cal{\bm{B}}}$) of ${\bm{B}}_{\text{true}}$ in the sense of Kullback-Leibler distance. ## 5 Regularized Estimation Regularization plays a crucial role in neuroimaging analysis for several reasons. First, even after substantial dimension reduction by imposing a Tucker structure, the number of parameters $p_{\text{T}}$ can still exceed the number of observations $n$. Second, even when $n>p_{\text{T}}$, regularization could potentially be useful for stabilizing the estimates and improving the risk property. Finally, regularization is an effective way to incorporate prior scientific knowledge about brain structures. For instance, it may sometimes be reasonable to impose symmetry on the parameters along the coronal plane for MRI images. In our context of Tucker regularized regression, there are two possible types of regularizations, one on the core tensor ${\bm{G}}$ _only_ , and the other on both ${\bm{G}}$ and ${\bm{B}}_{d}$ _simultaneously_. Which regularization to use depends on the practical purpose of a scientific study. In this section, we illustrate the regularization on the core tensor, which simultaneously achieves sparsity in the number of outer products in Tucker decomposition (3) and shrinkage. Toward that purpose, we propose to maximize the regularized log-likelihood $\displaystyle\ell(\mbox{\boldmath$\gamma$},{\bm{G}},{\bm{B}}_{1},\ldots,{\bm{B}}_{D})-\sum_{r_{1},\ldots,r_{D}}P_{\eta}(|g_{r_{1},\ldots,r_{D}}|,\lambda),$ where $P_{\eta}(|x|,\lambda)$ is a scalar penalty function, $\lambda$ is the penalty tuning parameter, and $\eta$ is an index for the penalty family. Note that the penalty term above only involves elements of the core tensor, and thus regularization on ${\bm{G}}$ only. This formulation includes a large class of penalty functions, including power family (Frank and Friedman,, 1993), where $P_{\eta}(|x|,\lambda)=\lambda|x|^{\eta}$, $\eta\in(0,2]$, and in particular lasso (Tibshirani,, 1996) ($\eta=1$) and ridge ($\eta=2$); elastic net (Zou and Hastie,, 2005), where $P_{\eta}(|x|,\lambda)=\lambda[(\eta-1)x^{2}/2+(2-\eta)|x|]$, $\eta\in[1,2]$; SCAD (Fan and Li,, 2001), where $\partial/\partial|x|P_{\eta}(|x|,\lambda)=\lambda\left\\{1_{\\{|x|\leq\lambda\\}}+(\eta\lambda-|x|)_{+}/(\eta-1)\lambda 1_{\\{|x|>\lambda\\}}\right\\}$, $\eta>2$; and MC+ penalty (Zhang,, 2010), where $P_{\eta}(|x|,\lambda)=\left\\{\lambda|x|-x^{2}/(2\eta)\right\\}1_{\\{|x|<\eta\lambda\\}}+0.5\lambda^{2}\eta 1_{\\{|x|\geq\eta\lambda\\}}$, among many others. Two aspects of the proposed regularized Tucker regression, parameter estimation and tuning, deserve some discussion. For regularized estimation, it incurs only slight changes in Algorithm 1. That is, when updating ${\bm{G}}$, we simply fit a penalized GLM regression problem, $\displaystyle{\bm{G}}^{(t+1)}=\mbox{argmax}_{{\bm{G}}}\,\ell(\mbox{\boldmath$\gamma$}^{(t)},{\bm{B}}_{1}^{(t+1)},\ldots,{\bm{B}}_{D}^{(t+1)},{\bm{G}})-\sum_{r_{1},\ldots,r_{D}}P_{\eta}(|g_{r_{1},\ldots,r_{D}}|,\lambda),$ for which many software packages exist. Our implementation utilizes an efficient Matlab toolbox for sparse regression (Zhou et al.,, 2011). Other steps of Algorithm 1 remain unchanged. For the regularization to remain legitimate, we constrain the column norms of ${\bm{B}}_{d}$ to be one when updating factor matrices ${\bm{B}}_{d}$. For parameter tuning, one can either use the general cross validation approach, or employ Bayesian information criterion to tune the penalty parameter $\lambda$. ## 6 Numerical Study We have carried out intensive numerical experiments to study the finite sample performance of the Tucker regression. Our simulations focus on three aspects: first, we demonstrate the capacity of the Tucker regression in identifying various shapes of signals; second, we study the consistency property of the method by gradually increasing the sample size; third, we compare the performance of the Tucker regression with the CP regression of Zhou et al., (2013). We also examine a real MRI imaging data to illustrate the Tucker downsizing and to further compare the two tensor models. ### 6.1 Identification of Various Shapes of Signals In our first example, we demonstrate that the proposed Tucker regression model, though with substantial reduction in dimension, can manage to identify a range of two dimensional signal shapes with varying ranks. In Figure 2, we list the 2D signals ${\bm{B}}\in\mathrm{I\\!R}\mathit{{}^{64\times 64}}$ in the first row, along with the estimates by Tucker tensor models in the second to fourth rows with orders $(1,1),(2,2)$ and $(3,3)$, respectively. Note that, since the orders along both dimensions are made equal, the Tucker model is to perform essentially the same as a CP model in this example, and the results are presented here for completeness. We will examine differences of the two models in later examples. The regular covariate vector ${\bm{Z}}\in\mathrm{I\\!R}\mathit{{}^{5}}$ and image covariate ${\bm{X}}\in\mathrm{I\\!R}\mathit{{}^{64\times 64}}$ are randomly generated with all elements being independent standard normals. The response $Y$ is generated from a normal model with mean $\mu=\mbox{\boldmath$\gamma$}^{\mbox{\tiny{\sf T}}}{\bm{Z}}+\langle{\bm{B}},{\bm{X}}\rangle$ and variance $\textrm{var}(\mu)/10$. The vector coefficient $\mbox{\boldmath$\gamma$}={\bf 1}_{5}$, and the coefficient array ${\bm{B}}$ is binary, with the signal region equal to one and the rest zero. Note that this problem differs from the usual edge detection or object recognition in imaging processing (Qiu,, 2005, 2007). In our setup, all elements of the image ${\bm{X}}$ follow the same distribution. The signal region is defined through the coefficient matrix ${\bm{B}}$ and needs to be inferred from the relation between $Y$ and ${\bm{X}}$ after adjusting for ${\bm{Z}}$. It is clearly see in Figure 2 that, the Tucker model yields a sound recovery of the true signals, even for those of high rank or natural shape, e.g., “disk” and “butterfly”. We also illustrate in the plot the BIC criterion in Section 2.4. --- Figure 2: True and recovered image signals by Tucker regression. The matrix variate has size 64 by 64 with entries generated as independent standard normals. The regression coefficient for each entry is either 0 (white) or 1 (black). The sample size is 1000. TR$(r)$ means estimate from the Tucker regression with an $r$-by-$r$ core tensor. ### 6.2 Performance with Increasing Sample Size In our second example, we continue to employ a similar model as in Figure 2 but with a three dimensional image covariate. The dimension of ${\bm{X}}$ is set as $p_{1}\times p_{2}\times p_{3}$, with $p_{1}=p_{2}=p_{3}=16$ and $32$, respectively. The signal array ${\bm{B}}$ is generated from a Tucker structure, with the elements of core tensor ${\bm{G}}$ and the factor matrices ${\bm{B}}$’s all coming from independent standard normals. The dimension of the core tensor ${\bm{G}}$ is set as $R_{1}\times R_{2}\times R_{3}$, with $R_{1}=R_{2}=R_{3}=2,5$, and $8$, respectively. We gradually increase the sample size, starting with an $n$ that is in hundred and no smaller than the degrees of freedom of the generating model. We aim to achieve two purposes with this example: first, we verify the consistency property of the proposed estimator, and second, we gain some practical knowledge about the estimation accuracy with different values of the sample size. Figure 3 summarizes the results. It is clearly seen that the estimation improves with the increasing sample size. Meanwhile, we observe that, unless the core tensor dimension is small, one would require a relatively large sample size to achieve a good estimation accuracy. This is not surprising though, considering the number of parameters of the model and that regularization is not employed here. The proposed tensor regression approach has been primarily designed for imaging studies with a reasonably large number of subjects. Recently, a number of such large-scale brain imaging studies are emerging. For instance, the Attention Deficit Hyperactivity Disorder Sample Initiative (ADHD,, 2013) consists of over 900 participants from eight imaging centers with both MRI and fMRI images, as well as their clinical information. Another example is the Alzheimer’s Disease Neuroimaging Initiative (ADNI,, 2013) database, which accumulates over 3,000 participants with MRI, fMRI and genomics data. In addition, regularization discussed in Section 5 and the Tucker downsizing in Section 2.3 can both help improve estimation given a limited sample size. $p_{1}=p_{2}=p_{3}=16$ | $p_{1}=p_{2}=p_{3}=32$ ---|--- | | | Figure 3: Root mean squared error (RMSE) of the tensor parameter estimate versus the sample size. Reported are the average and standard deviation of RMSE based on 100 data replications. Top: $R_{1}=R_{2}=R_{3}=2$; Middle: $R_{1}=R_{2}=R_{3}=5$; Bottom: $R_{1}=R_{2}=R_{3}=8$. ### 6.3 Comparison of the Tucker and CP Models In our third example, we focus on comparison between the Tucker tensor model with the CP tensor model of Zhou et al., (2013). We generate a normal response, and the 3D signal array ${\bm{B}}$ with dimensions $p_{1},p_{2},p_{3}$ and the $d$-ranks $r_{1},r_{2},r_{3}$. Here, the $d$-rank is defined as the column rank of the mode-$d$ matricization ${\bm{B}}_{(d)}$ of ${\bm{B}}$. We set $p_{1}=p_{2}=p_{3}=16$ and $32$, and $(r_{1},r_{2},r_{3})=(5,3,3),(8,4,4)$ and $(10,5,5)$, respectively. The sample size is 2000. We fit a Tucker model with $R_{d}=r_{d}$, and a CP model with $R=\max r_{d}$, $d=1,2,3$. We report in Table 2 the degrees of freedom of the two models under different setup, as well as the root mean squared error (RMSE) out of 100 data replications. It is seen that the Tucker model requires a smaller number of free parameters, while it achieves a more accurate estimation compared to the CP model. Such advantages come from the flexibility of the Tucker decomposition that permits different orders $R_{d}$ along directions. Table 2: Comparison of the Tucker and CP models. Reported are the average and standard deviation (in the parenthesis) of the root mean squared error, all based on 100 data replications. Dimension | Criterion | Model | $(5,3,3)$ | $(8,4,4)$ | $(10,5,5)$ ---|---|---|---|---|--- $16\times 16\times 16$ | Df | Tucker | 178 | 288 | 420 | | CP | 230 | 368 | 460 | RMSE | Tucker | 0.202 (0.013) | 0.379 (0.017) | 0.728 (0.030) | | CP | 0.287 (0.033) | 1.030 (0.081) | 2.858 (0.133) $32\times 32\times 32$ | Df | Tucker | 354 | 544 | 740 | | CP | 470 | 752 | 940 | RMSE | Tucker | 0.288 (0.013) | 0.570 (0.023) | 1.236 (0.045) | | CP | 0.392 (0.046) | 1.927 (0.172) | 16.238 (3.867) ### 6.4 Attention Deficit Hyperactivity Disorder Data Analysis We analyze the attention deficit hyperactivity disorder (ADHD) data from the ADHD-200 Sample Initiative (ADHD,, 2013) to illustrate our proposed method as well as the Tucker downsizing. ADHD is a common childhood disorder and can continue through adolescence and adulthood. Symptoms include difficulty in staying focused and paying attention, difficulty in controlling behavior, and over-activity. The data set that we analyzed is part of the ADHD-200 Global Competition data sets. It was pre-partitioned into a training data of 770 subjects and a testing data of 197 subjects. We removed those subjects with missing observations or poor image quality, resulting in 762 training subjects and 169 testing subjects. In the training set, there were 280 combined ADHD subjects, 482 normal controls, and the case-control ratio is about 3:5. In the testing set, there were 76 combined ADHD subjects, 93 normal controls, and the case-control ratio is about 4:5. T1-weighted images were acquired for each subject, and were preprocessed by standard steps. The data we used is obtained from the Neuro Bureau after preprocessing (the Burner data, http://neurobureau.projects.nitrc.org/ADHD200/Data.html). In addition to the MRI image predictor, we also include the subjects’ age and handiness as regular covariates. The response is the binary diagnosis status. The original image size was $p_{1}\times p_{2}\times p_{3}=121\times 145\times 121$. We employ the Tucker downsizing in Section 2.3. More specifically, we first choose a wavelet basis for ${\bm{B}}_{d}\in\mathrm{I\\!R}\mathit{{}^{p_{d}\times\tilde{p}_{d}}}$, then transform the image predictor from ${\bm{X}}$ to $\tilde{\bm{X}}=\llbracket{\bm{X}};{\bm{B}}_{1}^{\mbox{\tiny{\sf T}}},\ldots,{\bm{B}}_{D}^{\mbox{\tiny{\sf T}}}\rrbracket$. We pre-specify the values of $\tilde{p}_{d}$’s that are about tenth of the original dimensions $p_{d}$, and equivalently, we fit a Tucker tensor regression with the image predictor dimension downsized to $\tilde{p}_{1}\times\tilde{p}_{2}\times\tilde{p}_{3}$. In our example, we have experimented with a set of values of $\tilde{p}_{d}$’s, and the results are qualitatively similar. We report two sets, $\tilde{p}_{1}=12$, $\tilde{p}_{2}=14$, $\tilde{p}_{3}=12$, and $\tilde{p}_{1}=10$, $\tilde{p}_{2}=12$, $\tilde{p}_{3}=10$. We have also experimented with the Haar wavelet basis (Daubechies D2) and the Daubechies D4 wavelet basis, which again show similar qualitative patterns. For $\tilde{p}_{1}=12,\tilde{p}_{2}=14,\tilde{p}_{3}=12$, we fit a Tucker tensor model with $R_{1}=R_{2}=R_{3}=3$, resulting in 114 free parameters, and fit a CP tensor model with $R=4$, resulting in 144 free parameters. For $\tilde{p}_{1}=10,\tilde{p}_{2}=12,\tilde{p}_{3}=10$, we fit a Tucker tensor model with $R_{1}=R_{2}=2$ and $R_{3}=3$, resulting in 71 free parameters, and fit a CP tensor model with $R=4$, resulting in 120 free parameters. We have chosen those orders based on the following considerations. First, the number of free parameters of the Tucker and CP models are comparable. Second, at each step of GLM model fit, we ensure that the ratio between the sample size $n$ and the number of parameters under estimation in that step $\tilde{p}_{d}\times R_{d}$ satisfies a heuristic rule of greater than two in normal models and greater than five in logistic models. In the Tucker model, we also ensure the ratio between $n$ and the number of parameters in the core tensor estimation $\prod_{d}R_{d}$ satisfies this rule. We note that this selection of Tucker orders is heuristic; however, it seems to be a useful guideline especially when the data is noisy. We also fit a regularized Tucker model and a regularized CP model with the same orders, while the penalty parameter is tuned based on 5-fold cross validation of the training data. We evaluate each model by comparing the misclassification error rate on the independent testing set. The results are shown in Table 3. We see from the table that, the regularized Tucker model performs the best, which echoes the findings in our simulations above. We also remark that, considering the fact that the ratio of case-control is about 4:5 in the testing data, the misclassification rate from 0.32 to 0.36 achieved by the regularized Tucker model indicates a fairly sound classification accuracy. On the other hand, we note that, a key advantage of our proposed approach is its capability of suggesting a useful model rather than the classification accuracy per se. This is different from black-box type machine learning based imaging classifiers. Table 3: ADHD testing data misclassification error. Basis | Reduced dimension | Reg-Tucker | Reg-CP | Tucker | CP ---|---|---|---|---|--- Haar (D2) | $12\times 14\times 12$ | 0.361 | 0.367 | 0.379 | 0.438 | $10\times 12\times 10$ | 0.343 | 0.390 | 0.379 | 0.408 Daubechies (D4) | $12\times 14\times 12$ | 0.337 | 0.385 | 0.385 | 0.414 | $10\times 12\times 10$ | 0.320 | 0.396 | 0.367 | 0.373 It is also of interest to compare the run times of the two tensor model fittings. We record the run times of fitting the Tucker and CP models with the ADHD training data in Table 4. They are comparable. Table 4: ADHD model fitting run time (in seconds). Basis | Reduced dimension | Reg-Tucker | Reg-CP | Tucker | CP ---|---|---|---|---|--- Haar (D2) | $12\times 14\times 12$ | 3.68 | 4.39 | 31.25 | 22.43 | $10\times 12\times 10$ | 1.36 | 2.79 | 9.08 | 25.10 Daubechies (D4) | $12\times 14\times 12$ | 3.30 | 2.18 | 16.87 | 26.34 | $10\times 12\times 10$ | 1.92 | 1.90 | 9.96 | 17.10 ## 7 Discussion We have proposed a tensor regression model based on the Tucker decomposition. Including the CP tensor regression (Zhou et al.,, 2013) as a special case, Tucker model provides a more flexible framework for regression with imaging covariates. We develop a fast estimation algorithm, a general regularization procedure, and the associated asymptotic properties. In addition, we provide a detailed comparison, both analytically and numerically, of the Tucker and CP tensor models. In real imaging analysis, the signal hardly has an exact low rank. On the other hand, given the limited sample size, a low rank estimate often provides a reasonable approximation to the true signal. This is why the low rank models such as the Tucker and CP could offer a sound recovery of even a complex signal. The tensor regression framework established in this article is general enough to encompass a large number of potential extensions, including but not limited to imaging multi-modality analysis, imaging classification, and longitudinal imaging analysis. These extensions consist of our future research. ## References * ADHD, (2013) ADHD (2013). The ADHD-200 sample. http://fcon_1000.projects.nitrc.org/indi/adhd200/. [Online; accessed 03-2013]. * ADNI, (2013) ADNI (2013). Alzheimer’’s disease neuroimaging initiative. http://adni.loni.ucla.edu. [Online; accessed 03-2013]. * Allen et al., (2011) Allen, G., Grosenick, L., and Taylor, J. (2011). A generalized least squares matrix decomposition. 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arxiv-papers
2013-04-20T15:04:08
2024-09-04T02:49:44.644032
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Xiaoshan Li and Hua Zhou and Lexin Li", "submitter": "Hua Zhou", "url": "https://arxiv.org/abs/1304.5637" }
1304.5743
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Copyright 2013 ACM 978-1-4503-1889-1…$10.00. # Genericity versus expressivity - an exercise in semantic interoperable research information systems for Web Science Christophe Guéret Tamy Chambers Linda Reijnhoudt Frank van der Most Andrea Scharnhorst Data Archiving and Networked Services (DANS) Den Haag, The Netherlands [email protected] School of Library & Information Sciences Indiana University, USA [email protected] Data Archiving and Networked Services (DANS) Den Haag, The Netherlands [email protected] Data Archiving and Networked Services (DANS) Den Haag, The Netherlands [email protected] Data Archiving and Networked Services (DANS) Den Haag, The Netherlands [email protected] ###### Abstract The web does not only enable new forms of science, it also creates new possibilities to study science and new digital scholarship. This paper brings together multiple perspectives: from individual researchers seeking the best options to display their activities and market their skills on the academic job market; to academic institutions, national funding agencies, and countries needing to monitor the science system and account for public money spending. We also address the research interests aimed at better understanding the self- organising and complex nature of the science system through researcher tracing, the identification of the emergence of new fields, and knowledge discovery using large-data mining and non-linear dynamics. In particular this paper draws attention to the need for standardisation and data interoperability in the area of research information as an indispensable pre- condition for any science modelling. We discuss which levels of complexity are needed to provide a globally, interoperable, and expressive data infrastructure for research information. With possible dynamic science model applications in mind, we introduce the need for a “middle-range” level of complexity for data representation and propose a conceptual model for research data based on a core international ontology with national and local extensions. ###### keywords: Ontology; VIVO; NARCIS; CERIF; CRIS; Linked Data ###### category: I.2.4 Knowledge Representation Formalisms and Methods ## 1 Introduction The science of the 21st century, to a large extent is team science [10], operating globally, often cross disciplinary, and fully entangled with the web. The study of science as a specific, complex, and social system has been addressed by many research disciplines for quite some time. The availability of digital traces of scholarly activities at unknown scale and variety, together with the urgent need to monitor and control this growing system, is at heart of knowledge economies and has brought the question how best to measure, model, and forecast science back on to the research agenda [32]. When reviewing the current models of science, it is clear there is no consistent framework of science models yet [7]. Existing models are often driven by the available data. For example, interdisciplinary bibliographic databases (such as the Web of Science or SCOPUS) use the principle of citation indexing [17] from the field of scientometrics to analyse the science system based on formal scholarly communication. Typical output indicators are counts of publications, citations, and patents. They form the heart of the current “measurement of science” and have been taken up as data by network science [5] and Web Science [23]. This specific kind of output is, however, only a tiny fraction of information on science dynamics. Traditionally, the measurement of science encompasses input indicators (human capital, expenditure), output indicators, and. where possible, process information [18]. Research Information Systems, around since WWII in Europe, are marking the shift to “big science” [29]. However, the input side to science dynamics, in particular researchers, has been underrepresented in quantitative science studies for quite some time. This is partly due to the lack of databases and the problem of author ambiguity in the existing database [33, 30]. Information on researchers has been mainly collected, documented, and curated locally at individual scientific institutions - and in nation-wide research information systems, at least in European countries. The emergence of the web has transformed this situation completely. The web has become an important, if not the most important, information source for researchers and a platform for collaboration [6]. The extent and diversity of the traces scholars leave on the web has called for alt metrics [39]. It has also triggered the development of standards and ontologies capable of automatically harvesting this wealth of information, beyond existing traditional bibliographic reference. The wealth of information provided on the web about researcher activities and their relations carries the potential for new insights into the global research landscape. But we are not yet at the point where this data can be both expressive enough to be useful and easy enough to consume. To illustrate the current situation we display the conceptual space of communities dealing with research information in form of four mind maps (c.f. Figure 1). In the upper left corner we brought together concepts, which are relevant from the perspective of scientific career research and often conducted qualitatively, with rich factual evidence, which is hardly interoperable or scalable. For this mind node we drew on current discussions and first results [37] in a FP7 framework programme ACUMEN, Academic Careers understood by Measurements and Norms (see http://research-acumen.eu/), where sociologists and scientometricians work together. In the right lower corner we display the main classes of an ontology for research information (VIVO111http://www.vivoweg.org) developed in the US. In the upper right corner, the main tables of a Dutch Research Information Database (NOD-NARCIS) are displayed, and in the lower left corner is a selection of information and concepts which can be retrieved using different fields in one of the leading cross-disciplinary bibliographic databases - the Web of Knowledge. Although, the mind map sketches are different in nature, from formal schemes to collection of aspects, this illustration shows their difference in size, granularity, scope, and expression or semantics. Figure 1: Conceptual space of four different communities dealing with research information. The variation among these mind maps illustrates the difference in size, granularity, scope, and expression of the different information systems with which they are associated. In this work we argue for the need of a scalable, interoperable, and multi- layered data representation model for research information system (RIS). Science of science and modeling of science dynamics raise and fall with a consistent measurement system for the sciences. The contributions of this paper are as follows: * • A highlight of information loss happening when expressing data with generic ontologies; * • The introductions of the notion of levels of semantic agreement for expressing research data; * • A multi-layered ontology based on the above definition. The remainder of the paper describes the landscape of research data publication before diving into the details of a specific Dutch case. We thereafter introduce our proposed multi-layer conceptual model for a research ontology and conclude in its potential for documenting research. ## 2 Current landscape of RIS ### 2.1 Publishing research data In order to publish re-usable research data, one has to think in terms of standards and publication media. While the web imposes itself as the publication platform, the question of standards remains open and has been long investigated. First efforts in standardisation have been undertaken from the traditional research information communities. One example is the “CERIF” standard developed by EuroCRIS222http://www.eurocris.org. This standard defines a set of generic classes and properties used to describe research data. The serialisation format used for the data is XML, although an RDF version is being considered333http://spi-fm.uca.es/neologism/cerif. The content management system (CMS) “METIS”, popular in the Netherlands, uses this standard to store and expose research data. This standard has also been used for the Dutch portal “NARCIS”444http://www.narcis.nl/. The Web of Linked Data is a way of combining the publication platform and the standards. More recent efforts have been made in this direction via a number of ontologies and publication platforms. The initiative LinkedUniversities555http://linkeduniversities.org/lu/ provides a reference towards these systems and highlights their practical use. VIVO a United States based open source semantic web application is another such a system. The application both describes and publishes data, using RDF to encode the data and OWL for the logical structure.In addition to its own classes and properties, the VIVO ontology incorpates other standard ontolgies thus increasing its interoperability [8]. However, the ontology relies heavly on the US academic model which limits its ability to accurately represent researchers in other systems. VIVO and CERIF based CMS have been successfully put in use at many institutions. Still, the landscape of research information is very scattered and far from being connected. One of the reasons for this is a lack of agreement upon semantics for the data. Efforts have been made to align VIVO and CERIF [25] but the main problem remains that data publishers essentially have to choose between using a globally agreed upon representation, which is less expressive as a result of covering a vast amount of heterogeneous information (CERIF), or a very expressive and specialised ontology (VIVO), which is difficult to map to other ontologies of similar complexity. ### 2.2 The Dutch case In the Netherlands, we find the following situation. All 13 universities (14 with the Open University) use a system called METIS to register and document their research information [14]. In practice, information is usually entered in METIS centrally by a person in the administration although, sometimes individual accounts to METIS are created. Aside from those unconnected local implementations of one system, higher education in the Netherlands embraced the Open Access Movement with a project called DARE. This lead to an open repository for scientific publications. Moreover, a web portal to Dutch research information exists - NARCIS - which harvests publications from open repositories, but also entails a very well curated (and still manually edited) research information database (NOD) with information about the scientific staff of about 400 university and outside university research institutions [13, 31]. As Oskam and other Dutch researchers already pointed out in 2006, “the researcher is key” [27]. Outside of institutional RIS this idea is prolific in Web 2.0. platforms such as Mendeley and Academia.edu. They have been designed around the needs of scholars. General social network sites such as LinkedIn - which is very popular for professionals in the Netherlands - and Facebook also profile themselves as outlets for individual researchers. This leads to a situation where user-content driven systems compete for the limited time and resources of an individual researcher and where, as a result, snippets of the oeuvre and academic journey of a researcher can be found at different places, recorded in different standards, and with different accuracy. The question raised in the 2006 paper: “How can we make the CRIS666CRIS stands for “Current Research Information System” a valuable and attractive (career) tool for the researcher?” [27, p. 168] is still waiting to be answered in a standardized way. The purpose of documentation of science (and of careers of researchers) has grown far beyond the effective information exchange. Research evaluation relies heavily on indicators computed (semi) automatically from databases and the web. Currently, individual careers of researchers are very much influenced by indicators which are built on activities for which large amounts of standardised data are available. Prominent examples are journal impact factor or the H index. But, a researcher is not just a “paper publication machine”. Grant acquisition is another important “currency” in the academic market - for individuals on the job market, as well as, for institutions competing for funding. Teaching is an area which is monitored locally and institutionally, but for which no cross-institutional databases exist. Moreover, researchers are no longer loyal to one institution, one country, or one discipline for their whole life. There is an increasing need for cross-discipline and cross- institutional mapping of whole careers. ### 2.3 Tracing scientific careers Projects such as ACUMEN look into current practices of evaluation and peer review to empower the individual researcher and develop guidelines for how best to present your academic profile to the outside world. “ACUMEN” is the acronym for Academic Careers Understood through MEasurements and Norms. In this project, we analyse the use of a wide range of indicators - ranging from traditional bibliometrics to alt-metrics and metrics based on Web 2.0 - for the evaluation of the work of individual academics. One of the author of the present work, Frank van der Most, also conducted interviews to investigate the impact or influence of evaluations on individual careers. For his work the following events are of interesting in tracking an academic career: * • Birth of the academic; * • Acquisition of diploma’s and titles, in particular MA diplomas (and equivalents), PhD/Dr. diplomas, habilitiation, professorships of sorts and levels; * • Jobs, in universities and academic research institutes, but also in non- academic organisations. The latter is interesting because people move in, out, and sometimes back into academia; * • Particular functions within or as part of the job(s): director of studies (teaching), research-coordinator, head of department, dean, vice dean (for research, education, or other), vice-chancellor/rector, board member of faculty/school/university/institute; * • Launch of start-ups/spin-outs or people’s own companies. It could simply be a form of employment, but start-ups or own companies may indicate economic or other societal value of academic work; * • Prizes; * • Retirement and decease. For the study of the impact, or influence, of evaluations an overview of someone’s career is necessary to “locate” influential evaluations. This “location” has multiple dimensions. One is the calendar time, i.e. on which date or in which year did an influential evaluation take place. Based on time, geographic, and institutional location the context of a particular evaluation event can be reconstructed. Scientific careers follow patterns which are influenced by current regimes of science dynamics (including evaluations). Another important dimension concerns the location of an evaluation (or any event) within someone’s career. If two academics apply for the same job, the location in time and place is the same, but if one is an early-career researcher and the other is halfway through his/her career, this clearly makes a large difference to how their applications are being evaluated and how the evaluation results are likely to impact their respective careers. A rejection may have a bigger impact on the early-career researcher than on the mid-career researcher. Another ACUMEN sub-project investigates gender effects of evaluations and includes an analysis of performance indicators on research careers. This is planned to be a statistical analysis which would require some form of career descriptions. One of ACUMEN’s central aims is to identify and investigate bibliometric indicators that can be used in the evaluation of the work of individual researchers. A major point discussed in the ACUMEN workshops is the realisation that researchers have a career or a life-cycle which contextualises the values of bibliometric indicators. Although the events listed above are interesting for ACUMEN, these events, or a sub-set or extension thereof, is likely to be interesting to many career studies. For example, productivity-studies would relate academic production of texts [11, 15, 24], courses taught, and other outputs to someone’s career stage or career paths. An academic’s epistemic development (their research agenda) could be studied in relation to career stages [22] or mobility. To be able to trace the co-evolution of individual career paths and the social process of science for larger part of science, one would need a different kind of information depending on the study being undertaken. ## 3 Towards a core research vocabulary The challenge when designing a standard for sharing data is to make it generic enough so that aggregation makes sense, while being specific enough so institutions can express the data they need. As it is highlighted by the two most popular search tools, consuming data exposed via VIVO from a number of external sources777See http://nrn.cns.iu.edu/ and http://beta.vivosearch.org/ at the international level, only the most general concepts such as “People” make sense. On the opposite, the search features offered by a national portal such as NARCIS proposes a number of refined search criteria. These two extremes of the data mash-up scale show that depending on the study being done, different levels of semantics agreement are likely to be put into use. In contrary to XML schemas, Semantic Web technologies make it possible to express data using an highly specified model while also making it available using a more general model. The technology of particular importance here is “reasoning”, that is the entailment of other factual valid information from the facts already contained in the knowledge base. For instance, if an RDF knowledge base contains a fact assessing that “A is a researcher” and another stating that “Every researcher is a person”, the system will infer that “A is a person”. Leveraging this, it is possible to extend ontologies by refining the definition of classes and properties. The most refined versions of the concepts will inherit from their parents. We argue that for research information systems, three levels are necessary (see Figure 2). First, an international level containing a set of core concepts that can be used to build data mash-up on an international scale. Then, a national level extending the previous core level with concepts commonly agreed upon nation wide (e.g. positions). Last, an institutional level where every institution is free to further refine the previous level with its own concepts and properties that matter to its network. Figure 2: The proposed model of multi-layer ontology and its trade-off between scope and expressivity. At the lowest level, institutionaly defined semantics have the highest expressivity but the lowest scope. As a feasibility assessment and to propose a first model, we hereafter introduce a core ontology and two national extensions. This proposal is based on related work, existing ontologies, and our personal experience but stands more as a first iteration of work in progress rather than a definitive model. ### 3.1 Conceptual models Conceptual models allows for the representation of classes and properties of a knowledge base, along with their relations, in an abstracted way. The proposed conceptual models that we hereafter introduce are not dependent on the technical solution implementing them. There is however, as highlighted previously, an advantage in using Semantic Web technologies for this. This point is discussed in details in the following, after the introduction and the description of the three proposed conceptual models. #### 3.1.1 Core model The model depicted in Figure 3 is a proposal for a core research ontology based on the work being done on CERIF, the VIVO ontology, the Core vocabularies [4], and the data needs of ACUMEN. As part of its goal to study the scientific career through the research data made available, ACUMEN needs a number of information related to individuals, such as but not limited to: * • Grants/project applications - both applied and granted. This in relation to persons (applicants of various sorts) and organisations (applying/receiving institutes, main and sub-contractors, funding institutes); * • Skills. For instance, “Leadership” or “Artificial Intelligence”. There is no limit to the definition and several thesaurus could be implied; * • Networks or network relations. Relation between persons and organisations, but also between persons and results are of particular importance; * • Memberships of scientific associations or academies; * • Conferences visited or organised. The model contains classes to define individuals, projects, scientific output, positions and tasks. A generic “Relation” can be established between authors and papers, or teachers and courses taught. The exact meaning of the relation is to be defined either by sub-classes of it or by using the property “role”. Figure 3: Conceptual model of the core ontology. This model describes the minimum set of classes, relationships, and properties needed to describe a natural person and trace his scientific career. These classes can be further extended by national and local ontologies to account for specificity. As an example, the coloured classes are extended in two national ontologies in Figure 4 #### 3.1.2 National extensions The second level of semantic agreement is that of national extensions. Based on the core concepts, these extensions allows for the modeling of concepts actually used in the country - using the language and terminology of that country. When building such an extension, the main assumption made is that there is a level of agreement that can be reached on a national basis. An example of national extension is given in Figure 4. This extension extends the core “Position” and “Organization” classes to define the type of positions and organisation commonly found in the Netherlands (Figure 4(a)) and the US (Figure 4(b)). The classes depicted in the Dutch extension are those found in NARCIS, and as such represent the union set of all the specific classes used within the research institutions in the Netherlands888We must note here that this classes are not defined by an authority but are rather crowd-sourced. A more accurate, authoritative, list would have to be defined by an national entity.. (a) Conceptual model of the extension for the Netherlands (b) Conceptual model of the extension for the US Figure 4: Example of two national extensions of the core model. These extensions allow for expressing the particularities found in the national system while grounding their semantic on the more generic concepts. It can be observed that the Dutch extensions shows a high level of variety, with some classes that could be replaced with other model mechanisms, such as the “part time Hoogleraar” class which is actually a “Hoogleraar” contracted with less hours. We also note from Figure 4(b) that the national level has to be kept generic in the US because of the variation observed locally. In the US, many titles and/or positions are essentially at the discretion of the individual institutions (with some direction from the American Association of University Professors (AAUP)), thus a very detailed national ontology is not appropriate. However, for countries with a more centralised model and using title and positions officially described, more detail can be added at this level thus increasing semantic understanding. The national level allows for this grey area adaption instead of the current two level “very general” to “very specific” model. #### 3.1.3 Local extensions Local extensions are the most specific level of specification we propose for this approach. These can be used to specify concepts and relations that are understood within a given sub community inside a country. For instance, in the Netherlands, the research institution KNAW defines an additional position “AkademieHoogleraar” for “Hoogleraar” which are appointed to universities but directly affiliated to KNAW. This additional position is only used by some institutions and for this academy - here, the “Akademie” in “AkademieHoogleraar” implicitly refers to KNAW. ### 3.2 Implementation Prior to its concrete use, the proposed conceptual models have to be turned into an RDF based vocabulary. This vocabulary also has to be hosted under a domain name. #### 3.2.1 Vocabulary terms There are a large number of vocabularies published on the Web. The proposed models can effectively leverage most of their properties and classes from one of these existing sources of terms, having fewer new terms to introduce. In particular, the following vocabularies are to be considered: * • FOAF999http://xmlns.com/foaf/spec/, for the description of the persons; * • BIBO101010http://bibliontology.com/, for the publications; * • LODE111111http://linkedevents.org/ontology/, for the description of events; * • SKOS121212http://www.w3.org/2004/02/skos/, for the description of thesaurus terms such as those used to describe researchers’ skills; * • PROV-O131313http://www.w3.org/TR/prov-o/, to add additional provenance information to the data being served. We also note that, by design, there is a significant overlap between the conceptual model of Figure 3 and that defined in the Core Vocabularies for Person, Location and registered Organisations in [4, page 10]. This allows for the proposed core vocabulary for research to be defined based on these other core vocabularies defined by JoinUp and formalised by the W3C in the context of the Working Group on Governmental Linked Data (GLD) 141414http://www.w3.org/2011/gld/wiki/Main_Page. #### 3.2.2 Ontology hosting The domain name at which an ontology is being served is, as for the data itself, often seen as indication of the person, or entity, in charge of supporting the ontology. To account for this, we envision the hosting of the core ontology and its extensions done at institutions matching the scope of the level of agreement. That is, an international organisation for the international layer, a national organisation for the national layer, and the institutions themselves for the local extensions. More concretely, such an hosting plan could be materialised as having: the core ontology being served by the W3C, the Dutch national ontology by the VSNU151515the association in charge of the collective labour agreement for Dutch universities and other cross-institution regulations on salaries and positions, and the local extension from the KNAW by the KNAW. ## 4 Conclusion This paper operates at different levels. At the core it proposes a model to semantically describe data in Research Information Systems in a way which allows to aggregate but also to deconstruct if needed. It does so based on experiences with standards and data representation in the past and looking into very concrete practices - taking a VIVO implementation exercise in the Netherlands as point of reference and departure. A next shell of considerations around those specific mappings is added when we incorporate research outside of the traditional area of scientific information and documentation. Science and technology studies, science of science, and scientometrics have produced over decades of insights in the structure and dynamics of the science system. A wealth of information is available in this area, most of it case-based evidence. We include the aims and achievements of an on-going EU FP7 funded project (ACUMEN) which, in itself tries to combine bibliometric and indicator-based research with interviews, survey, and literature studies. The target subject of this project is the researcher. It is also the researcher which is targeted by Research Information Systems, and it is the researcher which is the innovative driver for science dynamics. Bibliometric indicators are heavily based on standards, part of them shared with RIS. What makes the ACUMEN project and the perspective of scientific career research so interesting for the design of future research information systems is the identification of factors relevant for career development which are not yet covered by current standards, databases, or ontologies. The last and most visionary shell in this paper is to design research information systems which can be used for science modeling. In the general framework developed by Borner et al. science models can be developed at different scales of the science system, from the individual research up to the global science system; they can differ in geographic coverage, as well as, in scales of time. In any case, the ideal would be having one data representation which can be scaled up and down along those different dimensions, and not singular data samples in incomparable measurement units not relatable for particular areas of the dynamics of science. Our main argument is to provide a data representation which is retraceable - if needed - towards its specific roots and at the same time can be aggregated. In such a “measurement system” we would find a middle layer of data granularity on which basis complex, non- linear models can be validated and implemented, to better monitor and understand the science system. ## 5 Acknowledgments This work has been supported by the ACUMEN project FP7 framework. We would like to think our colleagues Ying Ding, Katy Borner, and Chris Baars for their comments and support during this work. ## References * [1] VIVO Web. http://vivoweb.org. * [2] e-Government Core Vocabularies: The SEMIC.EU approach, 2011. Retrieved from European Commission: http://joinup.ec.europa.eu/sites/default/files/egovernment-core-vocabularies.pdf. * [3] Cerif – 1.3 Semantics: Research vocabulary, 2012. 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VIVO: A Semantic Approach to Scholarly Networking and Discovery. Synthesis Lectures on the Semantic Web: Theory and Technology. Morgan and Claypool, 2012. * [9] Börner, K., Conlon, M., Corson-Rikert, J., and Ding, Y. Vivo: A semantic approach to scholarly networking and discovery. Synthesis Lectures on The Semantic Web: Theory and Technology 7, 1 (2012), 1–178. * [10] Börner, K., Contractor, N., Falk-Krzesinski, H., Fiore, S., Hall, K., Keyton, J., Spring, B., Stokols, D., Trochim, W., and Uzzi, B. A multi-level systems perspective for the science of team science. Science Translational Medicine 2, 49 (2010), 49cm24. * [11] Carayol, N., and Matt, M. Individual and collective determinants of academic scientists’ productivity. Information Economics and Policy (2006). * [12] Conlon, M. VIVO: Enabling national networking of scientists. http://plaza.ufl.edu/mconlon/VIVO%20Overview%20OSTP%2020091112.pdf, Accessed February 1, 2013. * [13] Dijk, E. 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Towards a standard upper ontology. In Proceedings of the 2nd International Conference on Formal Ontology in Information Systems (FOIS) (2001). http://www.ontologyportal.org/. * [27] Oskam, M., Simons, H., and Mijnhardt, W. Harvex: Integrating multiple academic information resources into a researcher’s profiling tool. In Enabling Interaction and Quality: Beyond the Hanseatic League (8th International Conference on Current Research Information Systems), A. G. S. S. E. J. Asserson, Ed., Leuven University Press (2006), 167–177. * [28] Powell, A., Nilsson, M., Naeve, A., and Johnston, P. Dublin core metadata initiative - abstract model, 2005. White Paper. * [29] Price, D. d. S. Little Science, Big Science. New York: Columbia University Press, 1963. * [30] Reijnhoudt, L., Costas, R., Noyons, E., Boerner, K., and Scharnhorst, A. ”Seed+Expand”: A validated methodology for creating high quality publication oeuvres of individual researchers. ArXiv e-prints (Jan. 2013). * [31] Reijnhoudt, L., Stamper, M. J., Börner, Katy; Baars, C., and Scharnhorst, A. Narcis: Network of experts and knowledge organizations in the netherlands, 2012. http://cns.iu.edu/research/2012_NARCIS.pdf, Accessed January 26, 2013. * [32] Scharnhorst, A., Börner, K., and Besselaar, P., Eds. Models of Science Dynamics. Understanding Complex Systems. Springer Berlin Heidelberg, Berlin, Heidelberg, 2012. * [33] Scharnhorst, A., and Garfield, E. Tracing scientific influence. International Journal - Dynamics of Socio-Economic Systems 2, 1 (2010), 1–33. * [34] Scharnhorst, A., and Wouters, P. Webindicators: a new generation of S&T indicators. Cybermetrics 10 (2006), http://cybermetrics.cindoc.csic.es/articles/v10i1p6.html. * [35] Sheppard, N. Learning how to play nicely: Repositories and cris, 2010. http://www.ariadne.ac.uk/issue64/wrn-repos-2010-05-rpt/ ,Accessed January 25, 2013. * [36] Shvaiko, P., and Euzenat, J. Ontology matching: State of the art and future challenges. IEEE Trans. Knowl. Data Eng. 25, 1 (2013), 158–176. * [37] Van der Most, F. The role of evaluations in the development of researchers’ careers. a conceptual frame and research strategy for a comparative study. Poster presented at the conference ‘How to track researchers’ careers.’, Luxembourg, 9-10 February 2012. (unpublished, contact author), 2012\. * [38] Wouters, P. Academic careers understood through measurements and norms. http://research-acumen.eu/, Accessed January 26, 2013. * [39] Wouters, P., and Costas, R. Users, narcissism and control - tracking the impact of scholarly publications in the 21 st century. http://www.surffoundation.nl/nl/publicaties/Documents/Users%20narcissism%20and%20control.pdf, Accessed January 25, 2013.
arxiv-papers
2013-04-21T14:41:23
2024-09-04T02:49:44.652869
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Christophe Gu\\'eret, Tamy Chambers, Linda Reijnhoudt, Frank van der\n Most, Andrea Scharnhorst", "submitter": "Andrea Scharnhorst", "url": "https://arxiv.org/abs/1304.5743" }
1304.5772
# Singular 2-webs and Polar Curves Fernando Etayo111Departamento de Matemáticas, Estadística y Computación. Facultad de Ciencias. Universidad de Cantabria. Avda. de los Castros, s/n, 39071 Santander, SPAIN. e-mail: [email protected] ###### Abstract A 2-web in the plane is given by two everywhere transverse 1-foliations. In this paper we introduce the study of singular 2-webs, given by any two foliations, which may be tangent in some points. We show that such two foliations are tangent along a curve, which will be called the polar curve of the 2-web, and we study the relationship between the contact order of leaves of both foliations and the singularities of the polar curve. AMS Classification: 53A60, 53C15. Keywords: Singular 2-web, Foliations, Pfaffian forms, Paracomplex structure. ## 1 Introduction A 2-web in the real plane is given by two everywhere transverse 1-dimensional foliations, i.e., two families of curves such that in any point the curves passing through it have different tangent lines. These 2-webs are always locally diffeomorphic to that of vertical and horizontal lines, and then they have no local invariants. The case of 3-webs is completely different because of the curvature of the Blaschke-Chern connection, which measures how far the web is to be hexagonal [2, 6]. A 2-web can be defined by a (1,1) tensor field $F$ of maximum rank such that $F^{2}=I$, where $I$ denotes the identity tensor field. The eigenspaces associated to the eigenvalues $\pm 1$ define two distributions, which are involutive in the case of the real plane. $F$ is said to be a paracomplex structure. One could think that 2-webs have no interest. Nevertheless, we want to go into an unknown landscape, which has not been explored yet, as far as the author knows. Let us consider two different 1-dimensional foliations in the plane. What can you say about the set of points in which both foliations are tangent? If this set is non-empty, we shall say that both foliations define a _singular 2-web_ and the set will be called the _polar curve_ of the singular 2-web. We use this terminology following a similar idea [3] developed in the context of a holomorphic foliation in $\mathbb{C}^{2}$, where the polar curve is defined from the foliation and a direction in the plane, i.e., it is defined from 2-web defined by the holomorphic foliation and the foliation of lines parallel to the direction. Polar curves should not be confused with polar foliations. A polar foliation [1] is a singular foliation in a complete Riemannian manifold such that for each regular point $p$, there is an immersed submanifold $\Sigma_{p}$, called section, that passes through $p$ and that meets all the leaves and always perpendicularly. In the previous paper [4] we have shown some explicit examples. In the present one we state some results about the polar curve. The following example is introduced as a motivating case. ###### Example 1 Let us consider the punctured plane $\mathbb{R}^{2}-\\{(0,0)\\}$ and the foliations given by * • ${\cal F}_{1}$ is the set of circles with center $(0,0)$. * • ${\cal F}_{2}$ is the set of vertical lines. Obviously, this is a singular 2-web having the horizontal axis as polar curve. We can prove it by using different techniques: analyzing the associated distributions, the paracomplex structure and the Pfaffian forms. As is well known 1-dimensional distributions are always integrable, and then we can work interchangeably with distributions and foliations. We shall show carefully these three techniques, because we should choose the best one in order to ahead more complex situations. * • Associated distributions: The tangent vector of the foliation ${\cal F}_{1}$ at the point $(x,y)$ is $X=-y\frac{\partial}{\partial x}+x\frac{\partial}{\partial y}$. The tangent vector to ${\cal F}_{2}$ is $Y=\frac{\partial}{\partial y}$. These vectors are colinear in the polar curve $\\{y=0\\}-\\{(0,0)\\}$. * • The paracomplex structure [5] is the $(1,1)$-tensor field $F$ such that their eigenspaces are the distributions tangent to the foliations. A straightforward calculation shows that $F=\left(\begin{array}[]{cc}1&0\\\ -\frac{2x}{y}&-1\end{array}\right)$ One can esaily check that $F^{2}=id;F(X)=X;F(Y)=-Y$. The paracomplex structure $F$ is well defined in all the punctured plane unless the polar curve $\\{y=0\\}-\\{(0,0)\\}$. Then the polar curve appears as the set of points where the structure cannot be defined. * • The Pfaffian forms defining ${\cal F}_{1}$ and ${\cal F}_{2}$ are $\omega=x\,dx+y\,dy$ and $\eta=dx$. The points where these 1-forms are dependent are those where $0=\omega\wedge\eta=(x\,dx+y\,dy)\wedge dx=-ydx\wedge dy$, which are those of the polar curve. The best option is to work with Pfaffian forms, because one has only to check a product of 1-forms. ## 2 Algebraic foliations and paracomplex structure As is well known, a foliation is said to be algebraic if it is given by a 1-form $\omega=\omega_{1}(x,y)dx+\omega_{2}(x,y)dy$, where $\omega_{i}(x,y)$ are polynomials. This doesn’t mean that the algebraic curves of the foliation have to be algebraic curves. For example, the 1-form $\omega=ydx-dy$ is algebraic and the curves of this foliation are the exponential $C_{k}=\\{y=ke^{x}\\},k\in\mathbb{R}$. In the same way, we can say that a (1,1)-tensor field $F=\frac{\partial}{\partial x^{i}}\otimes F^{i}_{j}dx^{j}$ is algebraic (resp. rational) if the functions $F^{i}_{j}$ are polynomial (resp. rational). Then we have, ###### Theorem 2 Let $\omega=\omega_{1}(x,y)dx+\omega_{2}(x,y)dy$ and $\eta=\eta_{1}(x,y)dx+\eta_{2}(x,y)dy$ be two 1-forms in an open subset of the real plane. Then, (1) The polar curve of the singular 2-web defined by $\omega$ and $\eta$ is the curve $\\{\omega_{1}\eta_{2}-\omega_{2}\eta_{1}=0\\}$. Besides, if the coefficient functions $\omega_{1},\omega_{2},\eta_{1},\eta_{2}$ are polynomial of degrees $p,q,r,s$ then the polar curve is an algebraic curve of degree less or equal to ${\rm max}(p+s,q+r)$. (2) The paracomplex structure $F$ defined by $\omega$ and $\eta$ is $F=\frac{1}{-\omega_{2}\eta_{1}+\omega_{1}\eta_{2}}\left(\begin{array}[]{cc}-\eta_{1}\omega_{2}-\omega_{1}\eta_{2}&-2\omega_{2}\eta_{2}\\\ 2\omega_{1}\eta_{1}&\eta_{2}\omega_{1}+\omega_{2}\eta_{1}\end{array}\right)$ (3) If $\omega$ and $\eta$ are algebraic, then $F$ is rational. _Proof_. (1) Observe that $\omega\wedge\eta=(\omega_{1}\eta_{2}-\omega_{2}\eta_{1})dx\wedge dy$, thus showing that both 1-forms are dependent on the curve $C=\\{\omega_{1}\eta_{2}-\omega_{2}\eta_{1}=0\\}$. (2) In the points $p\in\mathbb{R}^{2}-\\{C\\}$, where $c$ denotes the polar curve, one has $T_{p}\mathbb{R}^{2}=(ker\omega)_{p}\oplus(ker\eta)_{p}$. A basis of $ker\omega$ is $-\omega_{2}\frac{\partial}{\partial x^{1}}+\omega_{1}\frac{\partial}{\partial x^{2}}=(-\omega_{2},\omega_{1})$. A basis of $ker\eta$ is $(-\eta_{2},\eta_{1})$. Then, a vector field $v=v_{1}\frac{\partial}{\partial x^{1}}+v_{2}\frac{\partial}{\partial x^{2}}$ can be decomposed as $v=\left(\begin{array}[]{c}v_{1}\\\ v_{2}\end{array}\right)=\alpha\left(\begin{array}[]{c}-\omega_{2}\\\ \omega_{1}\end{array}\right)+\beta\left(\begin{array}[]{c}-\eta_{2}\\\ \eta_{1}\end{array}\right)$ which produces, by using the Cramer rule, $\alpha=\frac{\mid\begin{array}[]{cc}v_{1}&-\eta_{2}\\\ v_{2}&\eta_{1}\end{array}\mid}{\mid\begin{array}[]{cc}-\omega_{2}&-\eta_{2}\\\ \omega_{1}&\eta_{1}\end{array}\mid}\hskip 14.22636pt;\hskip 14.22636pt\beta=\frac{\mid\begin{array}[]{cc}-\omega_{2}&v_{1}\\\ \omega_{1}&v_{2}\end{array}\mid}{\mid\begin{array}[]{cc}-\omega_{2}&-\eta_{2}\\\ \omega_{1}&\eta_{1}\end{array}\mid}$ Then, the paracomplex structure $F$ defined as $F|_{ker\omega}=I$, $F|_{ker\eta}=-I$ is that given by $F(v)=\alpha\left(\begin{array}[]{c}-\omega_{2}\\\ \omega_{1}\end{array}\right)-\beta\left(\begin{array}[]{c}-\eta_{2}\\\ \eta_{1}\end{array}\right)=\frac{1}{-\omega_{2}\eta_{1}+\omega_{1}\eta_{2}}\left(\begin{array}[]{cc}-\eta_{1}\omega_{2}-\omega_{1}\eta_{2}&-2\omega_{2}\eta_{2}\\\ 2\omega_{1}\eta_{1}&\eta_{2}\omega_{1}+\omega_{2}\eta_{1}\end{array}\right)\left(\begin{array}[]{c}v_{1}\\\ v_{2}\end{array}\right)$ (3) It is a direct consequence of (2). ###### Remark 3 Observe that the polar curve corresponds to the locus where the paracomplex structure $F$ cannot be defined. Observe that formula (2) does not depend on the algebricity of foliations. ###### Remark 4 If one changes the 1-forms $\omega$ and $\eta$ by proportional 1-forms $f\omega$ and $g\eta$, f,g beings functions, then the 2-web is the same, and the paracomplex structure $F$ remains invariable in the above theorem. This is important: the 1-forms are not uniquely defined, but the paracomplex structure is uniquely defined, up to sign. ## 3 Singular points of the polar curve Let us assume that $\omega$ and $\eta$ are two algebraic foliations with polar curve $C$. As $C$ is an algebraic curve, $C$ may have singular points. The following examples suggest that singular points of $C$ correspond to the points where the curves of each foliations have contact of order greater than two. Remember the classical definitions: * • Two curves $\alpha$ and $\beta$ are said to have _contact of order_ $k$ at a point $p$ if their derivatives of order $0,1,\ldots,k$ coincide at the point and the derivatives of order $k+1$ are different. We shall denote it as $ord_{\alpha\beta}(p)=k$. * • The multiplicity $mult_{C}(p)$ of a curve C at p is the order of the first non-vanishing term in the Taylor expansion of f at p, where $C=\\{f(x,y)=0\\}$. The point is said to be a _regular_ point if $mult_{C}(p)=1$, and _singular_ if $mult_{C}(p)\geq 2$. * • A 1-form $\omega=\omega_{1}(x,y)dx+\omega_{2}(x,y)dy$ is said to define an _exact differential equation_ if $\frac{\partial\omega_{1}(x,y)}{\partial y}=\frac{\partial\omega_{2}(x,y)}{\partial x}$. In this case, a curve $f(x,y)=0$ is an integral curve iff $\frac{\partial f}{\partial x}=\omega_{1}(x,y)$ and $\frac{\partial f}{\partial y}=\omega_{2}(x,y)$. As it is well known, multiplying by an integrating factor $\mu(x,y)$ any 1-form can be transformed into an exact differential equation, although in many cases obtaining the integrating factor is not easy. ###### Example 5 Let us consider the foliations ${\cal F}_{\omega}$ and ${\cal F}_{\eta}$ given by the 1-forms and their dual vector fields: $\omega=y^{2}dx-dy,\;X_{\omega}=\frac{\partial}{\partial x}+y^{2}\frac{\partial}{\partial y};$ $\eta=-x^{3}dx+dy,\;X_{\eta}=-\frac{\partial}{\partial x}-x^{3}\frac{\partial}{\partial y}$. The first one is the set of hyperbolas $\\{y=\frac{1}{k-x},k\in\mathbb{R}\\}$ and the horizontal axis, and the second one that of quartics $\\{y=k+\frac{x^{4}}{4},k\in\mathbb{R}\\}$. The polar curve is the cubic $C=\\{y^{2}=x^{3}\\}$, which has a singular point of multiplicity two (a cusp point) in the origin. The curves of ${\cal F}_{\omega}$ and ${\cal F}_{\eta}$ through the origin are $\\{y=0\\}$ and $\\{y=\frac{x^{4}}{4}\\}$. The last one has an inflection point in the origin, thus proving that both curves have contact of order three. ###### Example 6 Let us consider the foliation ${\cal F}_{\alpha}$ given by the 1-form $\alpha=dy$, and the foliation ${\cal F}_{\eta}$ given by the same 1-form $\eta$ of the above example. Then de polar curve is $C=\\{x^{3}=0\\}$, which is the vertical axis, being all of its points singular of multiplicity three, equal to the contact order of tangent curves of each foliation. We can state: ###### Theorem 7 Let ${\cal F}_{\omega}$ and ${\cal F}_{\eta}$ be two algebraic foliations given by two exact differential equations $\omega$ and $\eta$ and let $C$ be their polar curve. If the curves $\gamma_{\omega}$ and $\gamma_{\eta}$ of ${\cal F}_{\omega}$ and ${\cal F}_{\eta}$ through $p$ have contact of order $\geq 2$ then $p\in c$ is a singular point of the polar curve. In this case, $ord_{\gamma_{\omega}\gamma_{\eta}}(p)\geq mult_{C}(p)$. _Proof_ First we introduce some notation. Let $\omega=\omega_{1}(x,y)dx+\omega_{2}(x,y)dy$ and $\eta=\eta_{1}(x,y)dx+\eta_{2}(x,y)dy$ the 1-forms corresponding to ${\cal F}_{\omega}$ and ${\cal F}_{\eta}$ and let $C=\\{\omega_{1}\eta_{2}-\omega_{2}\eta_{1}=0\\}=\\{f(x,y)=0\\}$ be their polar curve. Then a point $p\in C$ is singular iff $\frac{\partial f}{\partial x}(p)=0=\frac{\partial f}{\partial y}(p)$ Thus, $p$ is a singular point iff the following equations hold at $p$: (1) $\left\\{\begin{array}[]{cc}\frac{\partial\omega_{1}}{\partial x}\eta_{2}+\omega_{1}\frac{\partial\eta_{2}}{\partial x}-\frac{\partial\omega_{2}}{\partial x}\eta_{1}-\omega_{2}\frac{\partial\eta_{1}}{\partial x}&=0\\\ &\\\ \frac{\partial\omega_{1}}{\partial y}\eta_{2}+\omega_{1}\frac{\partial\eta_{2}}{\partial y}-\frac{\partial\omega_{2}}{\partial y}\eta_{1}-\omega_{2}\frac{\partial\eta_{1}}{\partial y}&=0\end{array}\right\\}$ Let $\gamma_{\omega}$ and $\gamma_{\eta}$ the integral curves of ${\cal F}_{\omega}$ and ${\cal F}_{\eta}$ through the point $p$. As the 1-forms $\omega$ and $\eta$ are exact, we have: (2) $\left\\{\begin{array}[]{cc}\frac{\partial\gamma_{\omega}}{\partial x}&=\omega_{1}\\\ &\\\ \frac{\partial\gamma_{\omega}}{\partial y}&=\omega_{2}\end{array}\right\\}\hskip 28.45274pt{\rm and}\hskip 28.45274pt\left\\{\begin{array}[]{cc}\frac{\partial\gamma_{\eta}}{\partial x}&=\eta_{1}\\\ &\\\ \frac{\partial\gamma_{\eta}}{\partial y}&=\eta_{2}\end{array}\right\\}$ Then, $ord_{\gamma_{\omega}\gamma_{\eta}}\geq 2$ iff the following equations hold at $p$: (3) $\left\\{\begin{array}[]{ccc}\frac{\partial\gamma_{\omega}}{\partial x}=\frac{\partial\gamma_{\eta}}{\partial x};&\frac{\partial\gamma_{\omega}}{\partial y}=\frac{\partial\gamma_{\eta}}{\partial y}&\\\ &&\\\ \frac{\partial^{2}\gamma_{\omega}}{\partial x^{2}}=\frac{\partial^{2}\gamma_{\eta}}{\partial x^{2}};&\frac{\partial^{2}\gamma_{\omega}}{\partial x\partial y}=\frac{\partial^{2}\gamma_{\eta}}{\partial x\partial y};&\frac{\partial^{2}\gamma_{\omega}}{\partial x^{y}}=\frac{\partial^{2}\gamma_{\eta}}{\partial x^{y}}\end{array}\right\\}$ Then, taking into account equation (2) one easily check that $(3)\Rightarrow(1)$, thus proving the first statement of the theorem. The second one follows from a similar reasoning. The condition in the above theorem of being $\omega$ and $\eta$ exact differential equations is necessary, as the following example in $\mathbb{R}^{2}-\\{(\pm 1,0)\\}$ shows: ###### Example 8 Let ${\cal F}$ be the vertical axis and the set of circles $C_{a}$, with center in the horizontal axis passing through the points $(a,0)$ and $(1/a,0)$, where $a\neq\pm 1$. Points $(a,0),(1/a,0),(1,0),(-1,0)$ define a harmonic quadruple of points, i.e., their cross ratio is -1. The center of $C_{a}$ is the point $\frac{a^{2}+1}{2a}$ and the radius is $\frac{a^{2}-1}{2a}$ thus obtaining the equation $C_{a}=\left\\{\left(x-\frac{a^{2}+1}{2a}\right)^{2}\,+y^{2}\,=\,\left(\frac{a^{2}-1}{2a}\right)^{2}\right\\}=\left\\{x^{2}-\frac{a^{2}+1}{a}\,x+y^{2}+1=0\right\\}$ Let us denote by $f(x,y)=0$ is the equation of the curve $C_{a}$. The tangent line in $p=(x,y)\in C_{a}$ is $f_{x}(x-p_{1})+f_{y}(y-p_{2})$, whose direction is generated by the vector $(-f_{y}(p),f_{x}(p))$, and the corresponding dual form will be $f_{x}(p)dx+f_{y}(p)dy$. In our case, $\omega=\left(2x-\frac{a^{2}+1}{a}\right)\,dx+\,2y\,dy$ Then, for the equation of $C_{a}$, we can deduce that $\frac{a^{2}+1}{a}=\frac{x^{2}+y^{2}+1}{x}$ thus showing $\omega=\frac{x^{2}-y^{2}-1}{x}\,dx\,+\,2y\,dy\>;\>{\rm if}\,x\neq 0$ We can replace the Pffaf form by another one obtained multiplying by the function $\mu(x,y)=x$, and then we would have coefficients of degree two. Then, we can take $\omega=(x^{2}-y^{2}-1)\,dx\,+\,2xy\,dy$ which is not an exact differential equation. Let us consider the singular 2-web given by the foliations: * • ${\cal F}_{\omega}$ is the vertical axis and the set of circles $C_{a}$, with center in the horizontal axis passing through the points $(a,0)$ and $(1/a,0)$. * • ${\cal F}_{\eta}$ is the set vertical lines, whose Pfaffian form is $\eta=dx$. Then the polar curve is the reducible curve $\\{xy=0\\}$ given by both axis and has a unique singular point. Nevertheless, both foliations have in common the leaf $\\{x=0\\}$, and then in all of its points have contact of order infinite, thus showing that there are regular points of the polar curve corresponding to higher order contact of both foliations. On the other hand, by using Theorem 2 one can obtain the paracomplex structure associated to this 2-web: $F=\left(\begin{array}[]{cc}1&0\\\ \frac{-(x^{2}-y^{2}-1)}{xy}&-1\end{array}\right)$ thus showing again that the polar curve is $\\{xy=0\\}$. But one cannot obtain information about the contact order of leaves of both foliations. In the present case, as one can easily check, $\mu(x,y)=\frac{1}{x^{2}}$ is an integrating factor of $\omega$, and then we can re-write $\omega$ as $\omega=\frac{x^{2}-y^{2}-1}{x^{2}}\,dx\,+\,\frac{2y}{x}\,dy$ Then, the equation of the polar curve is $C=\\{-\frac{2y}{x}=0\\}$, showing the special property of the vertical axis $\\{x=0\\}$. The points where the polar curve cannot be defined when it is obtained from exact differential equations corresponds with those of a common leaf of both foliations. But this example also shows that multiplying the 1-form by an integrating factor can add points where the 1-form is not defined: in the example those of the vertical axis $\\{x=0\\}$. ## 4 Conclusions We write down some global conclusions. * • The following mathematical objects are equivalent in the real plane: a 2-web, two differential equations, two vector fields, two 1-forms, two distributions. Assume that each of them has no singularities nor zeros (restricting to an open subset of the plane, if necessary). Then, we have two families of curves, and we ask where they are tangent. This is a natural question and, as far as the author knows, there was not yet any answer about it. * • The points where the foliations are tangent define a curve, called the polar curve of the 2-web. If one defines the 2-web by means of two 1-forms it is very easy to find an equation for the polar curve. If the 1-forms are algebraic, the polar curve is an algebraic curve. * • The 1-forms associated to a 2-web are not unique. If one takes exact differential equations for them, then we have proved that higher order contact points of the foliations are singular points of the polar curve. * • There exist integrating factors which allow to obtain an exact differential equation for any 1-form. In general, integrating factors are difficult to be calculated. Besides they can exclude points of the plane. * • The paracomplex structure is unique up to a sign and the points where it is not defined define the polar curve. One can derive the expression of the paracomplex structure from those of the 1-forms, but there is no a general way for the reverse. ## References * [1] Alexandrino, M. M.: On polar foliations and fundamental group. _Results in Mathematics_ , 60, Issue 1 (2011), 213–223 * [2] Blaschke, W.: _Geometrie der Gewebe_. Springer, 1938. * [3] Corral, N.: Infinitesimal adjunction and polar curves. _Bull. Braz. Math. Soc._ (N.S.) 40 (2009), no. 2, 181 -224. * [4] Etayo, F: Singular 2-webs. An Introduction. _Contribuciones matemáticas en homenaje a Juan Tarrés_. Ed. Complutense, 2012, 141-147. ISBN: 978-84-695-4421-1. * [5] Etayo, F. ; Santamaría, R; Trías, U. R.: The geometry of a bi-Lagrangian manifold. _Differential Geom. Appl_. 24 (2006), 33–59. * [6] Grifone, J.; Salem, E.: _Web theory and related topics_. World Scientific Publishing Co. Pte. Ltd. (2001)
arxiv-papers
2013-04-21T18:06:47
2024-09-04T02:49:44.663574
{ "license": "Public Domain", "authors": "Fernando Etayo", "submitter": "Fernando Etayo", "url": "https://arxiv.org/abs/1304.5772" }
1304.6036
# Sub-barrier capture reactions with 16,18O and 40,48Ca beams V.V.Sargsyan1, G.G.Adamian1, N.V.Antonenko1, W. Scheid2, and H.Q.Zhang3 1Joint Institute for Nuclear Research, 141980 Dubna, Russia 2Institut für Theoretische Physik der Justus–Liebig–Universität, D–35392 Giessen, Germany 3China Institute of Atomic Energy, Post Office Box 275, Beijing 102413, China ###### Abstract Various sub-barrier capture reactions with beams 16,18O and 40,48Ca are treated within the quantum diffusion approach. The role of neutron transfer in these capture reactions is discussed. The quasielastic and capture barrier distributions are analyzed and compared with the recent experimental data. ###### pacs: 25.70.Jj, 24.10.-i, 24.60.-k Key words: sub-barrier capture, neutron transfer, quantum diffusion approach ## I Introduction From the present experimental data the role of the neutron transfer channel in the capture (fusion) process cannot be unambiguously inferred Bertulani ; Jia ; Kol ; EPJSub ; EPJSub1 . The fusion excitation functions have been recently measured for the reactions 16O+76Ge and 18O+74Ge at energies near and below the Coulomb barrier and the fusion barrier distributions have been extracted from the corresponding excitation functions Jia . The fusion enhancement due to the positive $Q_{2n}$-value two neutron ($2n$) transfer channel for 18O+74Ge has not been revealed as compared with the reference system 16O+76Ge Jia . This is very different from the situation for the reactions 40Ca+124,132Sn Kol and other systems in literature, which show considerable sub-barrier enhancements. The enhancement appears to be related to the existence of positive $Q$ values for neutron transfer. The purpose of this paper is the theoretical explanation of these experimental observations. Within the quantum diffusion approach EPJSub ; EPJSub1 we try to answer the question how strong the influence of neutron transfer in sub- barrier capture (fusion) reactions 18O+74Ge,52,50Cr,94,92Mo,112,114,118,120,124,126Sn and 40,48Ca+124,132Sn. This study seems to be important for future experiments indicated in Ref. Jia . In addition, the new structures of the quasielastic and capture barrier distributions at deep sub-barrier energies will be discussed. ## II Model In the quantum diffusion approach EPJSub ; EPJSub1 the collisions of nuclei are described with a single relevant collective variable: the relative distance between the colliding nuclei. This approach takes into consideration the fluctuation and dissipation effects in collisions of heavy ions which model the coupling with various channels (for example, coupling of the relative motion with low-lying collective modes such as dynamical quadrupole and octupole modes of the target and projectile Ayik333 ). We have to mention that many quantum-mechanical and non-Markovian effects accompanying the passage through the potential barrier are taken into consideration in our formalism EPJSub1 . The nuclear deformation effects are taken into account through the dependence of the nucleus-nucleus potential on the deformations and mutual orientations of the colliding nuclei. To calculate the nucleus- nucleus interaction potential $V(R)$, we use the procedure presented in Refs. EPJSub1 . For the nuclear part of the nucleus-nucleus potential, the double- folding formalism with the Skyrme-type density-dependent effective nucleon- nucleon interaction is used. With this approach many heavy-ion capture reactions at energies above and well below the Coulomb barrier have been successfully described EPJSub1 . Note that the diffusion models, which include the quantum statistical effects, were also treated in Refs. Hofman . Following the hypothesis of Ref. Broglia , we assume that the sub-barrier capture in the reactions under consideration mainly depends on the possible two-neutron transfer with the positive $Q_{2n}$-value. Our assumption is that, just before the projectile is captured by the target-nucleus (just before the crossing of the Coulomb barrier) which is a slow process, the $2n$-transfer ($Q_{2n}>0$) occurs that can lead to the population of the excited collective states in the recipient nucleus SSzilner . So, the motion to the $N/Z$ equilibrium starts in the system before the capture because it is energetically favorable in the dinuclear system in the vicinity of the Coulomb barrier. For the reactions considered, the average change of mass asymmetry is related to the two-neutron transfer. In these reactions the $2n$-transfer channel is more favorable than $1n$-transfer channel ($Q_{2n}>Q_{1n}$). Since after the $2n$-transfer the mass numbers, the deformation parameters of the interacting nuclei, and, correspondingly, the height $V_{b}=V(R_{b})$ of the Coulomb barrier are changed, one can expect an enhancement or suppression of the capture. This scenario was verified in the description of many reactions EPJSub1 . ## III Results of calculations All calculated results are obtained with the same set of parameters as in Ref. EPJSub1 and are rather insensitive to the reasonable variation of them EPJSub1 . Realistic friction coefficient in the momentum $\hbar\lambda$=2 MeV is used which is close to those calculated within the mean field approaches obzor . The parameters of the nucleus-nucleus interaction potential $V(R)$ are adjusted to describe the experimental data at energies above the Coulomb barrier corresponding to spherical nuclei. The absolute values of the quadrupole deformation parameters $\beta_{2}$ of even-even deformed nuclei are taken from Ref. Ram . In Ref. Ram , the quadrupole deformation parameters $\beta_{2}$ are given for the first excited 2+ states of nuclei. For the nuclei deformed in the ground state, the $\beta_{2}$ in 2+ state is similar to the $\beta_{2}$ in the ground state and we use $\beta_{2}$ from Ref. Ram in the calculations. For the double magic nucleus 16O, in the ground state we take $\beta_{2}=0$. Since there are uncertainties in the definition of the values of $\beta_{2}$ in light- and medium-mass nuclei, one can extract the quadrupole deformation parameters of these nuclei from a comparison of the calculated capture cross sections with the existing experimental data. By describing the reactions 18O+208Pb, where there are no neutron transfer channels with positive $Q$-values, we extract $\beta_{2}=0.1$ for the ground- state of 18O EPJSub1 . This extracted value is used in our calculations. ### III.1 Effect of neutron transfer in reactions with beams 40,48Ca To eliminate the influence of the nucleus-nucleus potential on the capture (fusion) cross section and to make conclusions about the role of deformation of colliding nuclei and the nucleon transfer between interacting nuclei in the capture (fusion) cross section, a reduction procedure is useful Gomes . It consists of the following transformations: $E_{\rm c.m.}\rightarrow x=\dfrac{E_{\rm c.m.}-V_{b}}{\hbar\omega_{b}},\qquad\sigma_{cap}\rightarrow\sigma_{cap}^{red}=\dfrac{2E_{\rm c.m.}}{\hbar\omega_{b}R_{b}^{2}}\sigma_{cap},$ where $\sigma_{cap}=\sigma_{cap}(E_{\rm c.m.})$ is the capture cross section at bombarding energy $E_{\rm c.m.}$. The frequency $\omega_{b}=\sqrt{V^{{}^{\prime\prime}}(R_{b})/\mu}$ is related with the second derivative $V^{{}^{\prime\prime}}(R_{b})$ of the total nucleus-nucleus potential $V(R)$ (the Coulomb + nuclear parts) at the barrier radius $R_{b}$ and the reduced mass parameter $\mu$. With these replacements we compared the reduced calculated capture (fusion) cross sections $\sigma_{cap}^{red}$ for the reactions 40,48Ca+124,132Sn (Fig. 1). The choice of the projectile-target combination is crucial, and for the systems studied one can make unambiguous statements regarding the neutron transfer process with a positive $Q$-value when the interacting nuclei are double magic or semi-magic spherical nuclei. In this case one can disregard the strong direct nuclear deformation effects. In Fig. 1, one can see that the reduced capture cross sections in the reactions 40Ca+124,132Sn with the positive $Q_{2n}$-values strongly deviate from those in the reactions 48Ca+124,132Sn, where the neutron transfers are suppressed because of the negative $Q$-values. Figure 1: (Colour online) The calculated reduced capture cross sections versus $(E_{\rm c.m.}-V_{b})/(\hbar\omega_{b})$ in the reactions 40Ca+124Sn (solid line), 48Ca+124Sn (dashed line), 48Ca+124Sn (dotted line), and 48Ca+132Sn (dash-dotted line). After two-neutron transfer in the reactions 40Ca($\beta_{2}=0$)+124Sn($\beta_{2}=0.1$)$\to^{42}$Ca($\beta_{2}=0.25$)+122Sn($\beta_{2}=0.1$) ($Q_{2n}$=5.4 MeV) and 40Ca($\beta_{2}=0$)+132Sn($\beta_{2}=0$)$\to^{42}$Ca($\beta_{2}=0.25$)+130Sn($\beta_{2}=0$) ($Q_{2n}$=7.3 MeV) the deformation of the light nucleus increases and the mass asymmetry of the system decreases and, thus, the value of the Coulomb barrier decreases and the capture cross section becomes larger (Fig. 1). So, because of the transfer effect the systems 40Ca+124,132Sn show large sub-barrier enhancements with respect to the systems 48Ca+124,132Sn. We observe that the $\sigma_{cap}^{red}$ in the 40Ca+124Sn (48Ca+124Sn) reaction are larger than those in the 40Ca+132Sn (48Ca+132Sn) reaction. The reason of that is the nonzero quadrupole deformation of the heavy nucleus 124Sn. It should be stressed that there are almost no difference between $\sigma_{cap}^{red}$ in the reactions 40,48Ca+124,132Sn at energies above the Coulomb barrier. Figure 2: The calculated capture cross sections versus $E_{\rm c.m.}$ for the reactions 40Ca+124Sn (solid line) and 48Ca+124Sn (dashed line). The experimental data for the reactions 40Ca+124Sn (solid squares) and 48Ca+124Sn (open squares) are from Ref. Kol . In the calculations the barriers were adjusted to the experimental values. Figure 3: The calculated capture cross sections versus $E_{\rm c.m.}$ for the reactions 40Ca+132Sn (solid line) and 48Ca+132Sn (dashed line). The experimental data for the reactions 40Ca+132Sn (solid squares) and 48Ca+132Sn (open squares) are from Ref. Kol . In the calculations the barriers were adjusted to the experimental values. In Figs. 2 and 3 one can see a good agreement between the calculated results and the experimental data in the reactions 40,48Ca+124,132Sn. This means that the observed capture enhancements in the reactions 40Ca+124,132Sn at sub- barrier energies are related to the two-neutron transfer effect. Note that the slope of the excitation function strongly depends on the deformations of the interacting nuclei and, respectively, on the neutron transfer effect. To describe the reactions 40,48Ca+132Sn (Fig. 2) and 48Ca+124,132Sn (Fig. 3), we extracted the values of the corresponding Coulomb barrier $V_{b}$ for the spherical nuclei. There are differences between the calculated and extracted $V_{b}$. From the direct calculations of the nucleus-nucleus potentials (with the same set of parameters), we obtained $V_{b}$(40Ca+124Sn)-$V_{b}$(48Ca+124Sn)=2.3 MeV, $V_{b}$(40Ca+132Sn)-$V_{b}$(48Ca+132Sn)=2.2 MeV, $V_{b}$(40Ca+124Sn)-$V_{b}$(40Ca+132Sn)=1.3 MeV, and $V_{b}$(48Ca+124Sn)-$V_{b}$(48Ca+132Sn)=1.2 MeV. From the extractions, we got $V_{b}$(40Ca+124Sn)-$V_{b}$(48Ca+124Sn)=1.1 MeV $V_{b}$(40Ca+132Sn)-$V_{b}$(48Ca+132Sn)=1.0 MeV, $V_{b}$(40Ca+124Sn)-$V_{b}$(40Ca+132Sn)=-0.3 MeV, and $V_{b}$(48Ca+124Sn)-$V_{b}$(48Ca+132Sn)=-0.4 MeV, which seem to be unrealistically small. However, these differences of $V_{b}$ do not influence the slopes of the excitation functions but only lead to the shifting of the energy scale. With realistic isospin trend of $V_{b}$ $\sigma_{cap}$(40Ca+124Sn)$<\sigma_{cap}$(48Ca+124Sn) and $\sigma_{cap}$(40Ca+132Sn)$<\sigma_{cap}$(48Ca+132Sn) at energies above the corresponding Coulomb barriers. ### III.2 Effect of neutron transfer in reactions with beams 16,18O Figures 4-7 show the capture excitation function for the reactions 16,18O+76,74Ge, 16,18O+94,92Mo, 16,18O+114,112,120,118,126,124Sn, and 16,18O+52,50Cr as a function of bombarding energy. One can see a rather good agreement between the calculated results and the experimental data Jia ; 16OAGe ; AO92Mo ; AOASn for the reactions 16O+76Ge, 16,18O+92Mo, and 18O+112,118,124Sn. Figure 4: (Colour online) The calculated (solid line) capture cross sections versus $E_{\rm c.m.}$ for the reactions 16O+76Ge and 18O+74Ge (the curves coincide). For the 18O+74Ge reaction, the calculated capture cross sections without neutron transfer are shown by dotted line. The experimental data for the reactions 16O+76Ge (open circles) and 18O+74Ge (open squares) are from Ref. Jia . The experimental data for the 16O+76Ge reaction (solid circles) are from Ref. 16OAGe . Figure 5: (Colour online) The calculated capture cross sections versus $E_{\rm c.m.}$ for the reactions 16O+92Mo (dashed line) and 18O+92Mo (solid line). For the 18O+92Mo reaction, the calculated capture cross sections without the neutron transfer are shown by dotted line. The experimental data for the reactions 16O+92Mo (solid stars) and 18O+92Mo (solid squares) are from Ref. AO92Mo . Figure 6: The calculated capture cross sections versus $E_{\rm c.m.}$ for the reactions 16O+114Sn and 18O+112Sn (solid line), 16O+120Sn and 18O+118Sn (dashed line), 16O+126Sn and 18O+124Sn (dotted line). The calculated results for the reactions 16O+114,120,126Sn and 18O+112,118,124Sn coincide, respectively. The experimental data for the reactions 18O+112Sn (solid squares), 18O+118Sn (open squares), and 18O+124Sn (open stars) are from Ref. AOASn . Figure 7: (Coulor online) The calculated capture cross sections versus $E_{\rm c.m.}$ for the reactions 16O+52Cr (dashed line) and 18O+50Cr (solid line). The $Q_{2n}$-values for the $2n$-transfer processes are positive (negative) for all reactions with 18O (16O). Thus, the neutron transfer can be important for the reactions with the 16O beam. However, our results show that cross sections for reactions 16O+76Ge (16O+114,120,126Sn,52Cr) and 18O+74Ge (18O+114,118,124Sn,50Cr) are very similar. The reason of such behavior is that after the $2n$-transfer in the system 18O+A-2X$\to^{16}$O+AX the deformations remain to be similar. As a result, the corresponding Coulomb barriers of the systems 18O+A-2X and 16O+AX are almost the same and, correspondingly, their capture cross sections coincide. Just the same behavior was observed in the recent experiments 16,18O+76,74Ge Jia . One can see in Figs. 4-7 that at energies above and near the Coulomb barrier the cross sections with and without two-neutron transfer are quite similar. After the $2n$-transfer (before the capture) in the reactions 18O($\beta_{2}=0.1$) + 92Mo($\beta_{2}=0.05$)$\to^{16}$O($\beta_{2}=0$) + 94Mo($\beta_{2}=0.151$), 18O($\beta_{2}=0.1$) + 74Ge($\beta_{2}=0.283$)$\to^{16}$O($\beta_{2}=0$) + 76Ge($\beta_{2}=0.262$), 18O($\beta_{2}=0.1$)+112Sn($\beta_{2}=0.123$)$\to^{16}$O($\beta_{2}=0$)+114Sn($\beta_{2}=0.121$), 18O($\beta_{2}=0.1$)+118Sn($\beta_{2}=0.111$)$\to^{16}$O($\beta_{2}=0$)+120Sn($\beta_{2}=0.104$), and 18O($\beta_{2}=0.1$)+124Sn($\beta_{2}=0.095$)$\to^{16}$O($\beta_{2}=0$)+126Sn($\beta_{2}=0.09$) the deformations of the nuclei decrease and the values of the corresponding Coulomb barriers increase. As a result, the transfer suppresses the capture process at the sub-barrier energies. The suppression becomes stronger with decreasing energy. As examples, in Fig. 4 and 5 we show this effect for the reactions 18O+74Ge,92Mo. ### III.3 Capture and quasielastic barrier distributions In Figs. 8 and 9, the calculated capture barrier distributions $D=d^{2}(E_{\rm c.m.}\sigma_{cap})/dE_{\rm c.m.}^{2}$ for the reactions 16O+76Ge,144,154Sm have only one pronounced maximum around $E_{\rm c.m.}=V_{b}$ as in the experiments Jia ; Timmers . The calculated barrier distributions in Figs. 8 and 9 are slightly wider and fit the experimental data better than those obtained with the couple-channels approach in Fig. 5 of Ref. Jia . The capture (fusion) cross sections for the reactions 16O+76Ge,144,154Sm were well described with the quantum diffusion model in Ref. EPJSub1 . With almost spherical (deformed) target-nucleus we obtain a more narrow (wide) barrier distribution for the 16O+144Sm (16O+154Sm) reaction. We compared the capture and the quasielastic barrier distributions for these reactions (Figs. 8 and 9). Figure 8: (Colour online) (a) The calculated values of the quasielastic $\pi R_{b}^{2}D_{qe}$ (solid line) and capture $D$ (dotted line) barrier distributions for the reactions 16O + 76Ge and 18O + 74Ge. The curves coincide for these reactions. The calculated $D$ for the spherical interacting nuclei is shown by dashed line. The experimental data for the reactions 16O + 76Ge (solid circles) and 18O + 74Ge (open circles) are from Ref. Jia . (b) The calculated values of $\pi R_{b}^{2}D_{qe}$ (solid line) and $D$ (dotted line) are shown in the logarithmic scale. Figure 9: (Colour online) The calculated values of quasielastic $D_{qe}$ (solid line) and capture $D/(\pi R_{b}^{2})$ (dotted line) barrier distributions for the reactions 16O + 144Sm (a) and 16O + 154Sm (b). The experimental $D_{qe}$ (open squares) and $D/(\pi R_{b}^{2})$ (solid circles) are from Ref. Timmers . The calculated $D$ for the spherical interacting nuclei is shown by dashed line (b). There is a direct relationship between the capture and the quasielastic scattering processes because any loss from the quasielastic channel contributes directly to the capture (the conservation of the reaction flux): $P_{qe}(E_{\rm c.m.},J)+P_{cap}(E_{\rm c.m.},J)=1$ and $dP_{cap}/dE_{\rm c.m.}=-dP_{qe}/dE_{\rm c.m.},$ where $P_{qe}$ is the reflection probability and $P_{cap}$ is the capture (transmission) probability ($J$ is the partial wave). The quasielastic barrier distribution is extracted by taking the first derivative of the $P_{qe}(E_{\rm c.m.},J=0)$ or $P_{cap}(E_{\rm c.m.},J=0)$ with respect to $E_{\rm c.m.}$, that is, $D_{qe}(E_{\rm c.m.})=-dP_{qe}(E_{\rm c.m.},J=0)/dE_{\rm c.m.}=dP_{cap}(E_{\rm c.m.},J=0)/dE_{\rm c.m.}.$ So, by employing the quantum diffusion approach and calculating $dP_{cap}(E_{\rm c.m.},J=0)/dE_{\rm c.m.}$, one can obtain $D_{qe}(E_{\rm c.m.})$. One can see in Figs. 8 and 9 that the shapes of the quasielastic and capture barrier distributions are similar. The same conclusion was experimentally obtained for the 20Ne+208Pb reaction in Ref. Piasecki . As in the case of capture barrier distribution, one can show that the width of the quasielastic barrier distribution increases with the deformation of the target-nucleus. In addition to the mean peak position of the $D_{qe}$ around the barrier height, we observe the sharp change of the slope of $D_{qe}$ or $D$ below the Coulomb barrier energy because of a change of the regime of interaction (the external turning point leaves the region of the nuclear forces and friction EPJSub ; EPJSub1 ) in the deep sub-barrier capture process (Fig. 8(b)). ## IV Summary As shown with the quantum diffusion approach, the capture cross sections for the reactions 16O+52Cr,76Ge,94Mo,114,120,126Sn and 18O+50Cr,74Ge,92Mo,112,118,124Sn, respectively, almost match. The fusion enhancement due to the positive $Q_{2n}$-value $2n$-transfer for 18O+74Ge has not been observed Jia because the deformations of nuclei slightly decrease after the neutron transfer. This is different from the situation for the reactions 40Ca+124,132Sn Kol with large positive $Q_{2n}$-values. The strong enhancements have been observed Kol in these reactions at sub-barrier energies because the deformation of light nucleus strongly increases (the heavy nucleus is spherical before and after transfer) after the two-neutron transfer. We found that the shapes of the quasielastic and capture barrier distributions are similar. The sharp change of the slope of the quasielastic or capture barrier distribution is predicted at deep sub-barrier energy. This anomalous behavior of the barrier distribution is expected to be the experimental indication of a change of the regime of interaction in the sub-barrier capture. One concludes that the quasielastic technique could be an important tool in capture (fusion) research. This work was supported by DFG, NSFC, and RFBR. The IN2P3(France) - JINR(Dubna) and Polish - JINR(Dubna) Cooperation Programmes are gratefully acknowledged. H.Q. Zhang is grateful to Chinese NSFC for the partial support. ## References * (1) G. Montagnoli, et al., Phys. Rev. C 85, 024607 (2012); C. Simenel, Eur. Phys. J. A 48, 152 (2012); C.A. Bertulani, EPJ Web Conf. 17, 15001 (2011); Z. Kohley et al., Phys. Rev. Lett. 107, 202701 (2011); J.F. Liang, EPJ Web Conf. 17, 02002 (2011); F. Scarlassara et al., EPJ Web Conf. 17, 05002 (2011). * (2) H.M. Jia et al., Phys. Rev. C 86, 044621 (2012). * (3) J.J. Kolata et al., Phys. Rev. C 85, 054603 (2012). * (4) V.V. Sargsyan, G.G. Adamian, N.V. Antonenko, and W. Scheid, Eur. Phys. J. A 45, 125 (2010); Eur. Phys. J. A 47, 38 (2011); Eur. Phys. J. A 48, 118 (2012); Eur. Phys. J. A 49, 19 (2013). * (5) V.V. Sargsyan, G.G. Adamian, N.V. 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arxiv-papers
2013-04-22T18:03:36
2024-09-04T02:49:44.671280
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "V.V. Sargsyan, G.G. Adamian, N.V. Antonenko, W. Scheid, and H.Q. Zhang", "submitter": "Vazgen Sargsyan Dr.", "url": "https://arxiv.org/abs/1304.6036" }
1304.6173
The LHCb collaboration # First observation of $C\\!P$ violation in the decays of $B^{0}_{s}$ mesons R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen56, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 34, M. Artuso58, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso59, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani44, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk58, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia58, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton58, N.H. Brook45, H. Brown51, I. Burducea28, A. Bursche39, G. Busetto21,q, J. Buytaert37, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez35,n, A. Camboni35, P. Campana18,37, D. Campora Perez37, A. Carbone14,c, G. Carboni23,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia49, L. Carson52, K. Carvalho Akiba2, G. Casse51, L. Castillo Garcia37, M. Cattaneo37, Ch. Cauet9, M. Charles54, Ph. Charpentier37, P. Chen3,38, N. Chiapolini39, M. Chrzaszcz 25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco40, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15,37, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, B. Couturier37, G.A. Cowan49, D.C. Craik47, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, P. David8, P.N.Y. David40, A. Davis56, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian39, J.M. De Miranda1, L. De Paula2, W. De Silva56, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, N. Déléage4, D. Derkach14, O. Deschamps5, F. Dettori41, A. Di Canto11, F. Di Ruscio23,k, H. Dijkstra37, M. Dogaru28, S. Donleavy51, F. Dordei11, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, R. Dzhelyadin34, A. Dziurda25, A. Dzyuba29, S. Easo48,37, U. Egede52, V. Egorychev30, S. Eidelman33, D. van Eijk40, S. Eisenhardt49, U. Eitschberger9, R. Ekelhof9, L. Eklund50,37, I. El Rifai5, Ch. Elsasser39, D. Elsby44, A. Falabella14,e, C. Färber11, G. Fardell49, C. Farinelli40, S. Farry12, V. Fave38, D. Ferguson49, V. Fernandez Albor36, F. Ferreira Rodrigues1, M. Ferro-Luzzi37, S. Filippov32, M. Fiore16, C. Fitzpatrick37, M. Fontana10, F. Fontanelli19,i, R. Forty37, O. Francisco2, M. Frank37, C. Frei37, M. Frosini17,f, S. Furcas20, E. Furfaro23,k, A. Gallas Torreira36, D. Galli14,c, M. Gandelman2, P. Gandini58, Y. Gao3, J. Garofoli58, P. Garosi53, J. Garra Tico46, L. Garrido35, C. Gaspar37, R. Gauld54, E. Gersabeck11, M. Gersabeck53, T. Gershon47,37, Ph. Ghez4, V. Gibson46, V.V. Gligorov37, C. Göbel59, D. Golubkov30, A. Golutvin52,30,37, A. Gomes2, H. Gordon54, M. Grabalosa Gándara5, R. Graciani Diaz35, L.A. Granado Cardoso37, E. Graugés35, G. Graziani17, A. Grecu28, E. Greening54, S. Gregson46, P. Griffith44, O. Grünberg60, B. Gui58, E. Gushchin32, Yu. Guz34,37, T. Gys37, C. Hadjivasiliou58, G. Haefeli38, C. Haen37, S.C. Haines46, S. Hall52, T. Hampson45, S. Hansmann-Menzemer11, N. Harnew54, S.T. Harnew45, J. Harrison53, T. Hartmann60, J. He37, V. Heijne40, K. Hennessy51, P. Henrard5, J.A. Hernando Morata36, E. van Herwijnen37, E. Hicks51, D. Hill54, M. Hoballah5, C. Hombach53, P. Hopchev4, W. Hulsbergen40, P. Hunt54, T. Huse51, N. Hussain54, D. Hutchcroft51, D. Hynds50, V. Iakovenko43, M. Idzik26, P. Ilten12, R. Jacobsson37, A. 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Machefert7, I.V. Machikhiliyan4,30, F. Maciuc28, O. Maev29,37, S. Malde54, G. Manca15,d, G. Mancinelli6, U. Marconi14, R. Märki38, J. Marks11, G. Martellotti24, A. Martens8, L. Martin54, A. Martín Sánchez7, M. Martinelli40, D. Martinez Santos41, D. Martins Tostes2, A. Massafferri1, R. Matev37, Z. Mathe37, C. Matteuzzi20, E. Maurice6, A. Mazurov16,32,37,e, J. McCarthy44, A. McNab53, R. McNulty12, B. Meadows56,54, F. Meier9, M. Meissner11, M. Merk40, D.A. Milanes8, M.-N. Minard4, J. Molina Rodriguez59, S. Monteil5, D. Moran53, P. Morawski25, M.J. Morello22,s, R. Mountain58, I. Mous40, F. Muheim49, K. Müller39, R. Muresan28, B. Muryn26, B. Muster38, P. Naik45, T. Nakada38, R. Nandakumar48, I. Nasteva1, M. Needham49, N. Neufeld37, A.D. Nguyen38, T.D. Nguyen38, C. Nguyen-Mau38,p, M. Nicol7, V. Niess5, R. Niet9, N. Nikitin31, T. Nikodem11, A. Nomerotski54, A. Novoselov34, A. Oblakowska-Mucha26, V. Obraztsov34, S. Oggero40, S. Ogilvy50, O. Okhrimenko43, R. Oldeman15,d, M. Orlandea28, J.M. Otalora Goicochea2, P. Owen52, A. Oyanguren 35,o, B.K. Pal58, A. Palano13,b, M. Palutan18, J. Panman37, A. Papanestis48, M. Pappagallo50, C. Parkes53, C.J. Parkinson52, G. Passaleva17, G.D. Patel51, M. Patel52, G.N. Patrick48, C. Patrignani19,i, C. Pavel-Nicorescu28, A. Pazos Alvarez36, A. Pellegrino40, G. Penso24,l, M. Pepe Altarelli37, S. Perazzini14,c, D.L. Perego20,j, E. Perez Trigo36, A. Pérez- Calero Yzquierdo35, P. Perret5, M. Perrin-Terrin6, G. Pessina20, K. Petridis52, A. Petrolini19,i, A. Phan58, E. Picatoste Olloqui35, B. Pietrzyk4, T. Pilař47, D. Pinci24, S. Playfer49, M. Plo Casasus36, F. Polci8, G. Polok25, A. Poluektov47,33, E. Polycarpo2, A. Popov34, D. Popov10, B. Popovici28, C. Potterat35, A. Powell54, J. Prisciandaro38, V. Pugatch43, A. Puig Navarro38, G. Punzi22,r, W. Qian4, J.H. Rademacker45, B. Rakotomiaramanana38, M.S. Rangel2, I. Raniuk42, N. Rauschmayr37, G. Raven41, S. Redford54, M.M. Reid47, A.C. dos Reis1, S. Ricciardi48, A. Richards52, K. Rinnert51, V. 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Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57University of Maryland, College Park, MD, United States 58Syracuse University, Syracuse, NY, United States 59Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 60Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ###### Abstract Using $pp$ collision data, corresponding to an integrated luminosity of $1.0~{}\mathrm{fb}^{-1}$, collected by LHCb in 2011 at a center-of-mass energy of $7\\!$ $\mathrm{\,Te\kern-1.00006ptV}$, we report the measurement of direct $C\\!P$ violation in $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ decays, $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})=0.27\pm 0.04\,\mathrm{(stat)}\pm 0.01\,\mathrm{(syst)}$, with significance exceeding five standard deviations. This is the first observation of $C\\!P$ violation in the decays of $B^{0}_{s}$ mesons. Furthermore, we provide an improved determination of direct $C\\!P$ violation in $B^{0}\rightarrow K^{+}\pi^{-}$ decays, $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})=-0.080\pm 0.007\,\mathrm{(stat)}\pm 0.003\,\mathrm{(syst)}$, which is the most precise measurement of this quantity to date. ###### pacs: Valid PACS appear here EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ | | ---|---|--- | | CERN-PH-EP-2013-068 | | LHCb-PAPER-2013-018 | | June 7, 2013 © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. Submitted to Phys. Rev. Lett. The non-invariance of fundamental interactions under the combined action of the charge conjugation ($C$) and parity ($P$) transformations is experimentally well established in the $K^{0}$ and $B^{0}$ meson systems Christenson:1964fg ; Aubert:2001nu ; Abe:2001xe ; PDG2012 . The Standard Model (SM) description of $C\\!P$ violation, as given by the Cabibbo-Kobayashi- Maskawa (CKM) theory of quark-flavor mixing Cabibbo:1963yz ; Kobayashi:1973fv , has been very successful in describing existing data. However, the source of $C\\!P$ violation in the SM is known to be too small to account for the matter-dominated universe Cohen:1993nk ; Riotto:1999yt ; Hou:2008xd . The study of $C\\!P$ violation in charmless charged two-body decays of neutral $B$ mesons provides stringent tests of the CKM picture in the SM, and is a sensitive probe to search for the presence of non-SM physics Deshpande:1994ii ; He:1998rq ; Fleischer:1999pa ; Gronau:2000md ; Lipkin:2005pb ; Fleischer:2007hj ; Fleischer:2010ib . However, quantitative SM predictions for $C\\!P$ violation in these decays are challenging because of the presence of hadronic factors in the decay amplitudes, which cannot be accurately calculated from quantum chromodynamics (QCD) at present. It is crucial to combine several measurements from such two-body decays, exploiting approximate flavor symmetries in order to cancel the unknown parameters. An experimental program for measuring the properties of these decays has been carried out during the last decade at the $B$ factories Lees:2013bb ; PhysRevD.87.031103 and at the Tevatron Aaltonen:2011qt , and is now continued by LHCb with increased sensitivity. The discovery of direct $C\\!P$ violation in the $B^{0}\rightarrow K^{+}\pi^{-}$ decay dates back to 2004 Aubert:2004qm ; Chao:2004jy . This observation raised the question of whether the effect could be accommodated by the SM or was due to non-SM physics. A simple but powerful model-independent test was proposed in Refs. He:1998rq ; Lipkin:2005pb , which required the measurement of direct $C\\!P$ violation in the $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ decay. However, $C\\!P$ violation has never been observed with significance exceeding five Gaussian standard deviations ($\sigma$) in any $B^{0}_{s}$ meson decay so far. In this Letter we report measurements of direct $C\\!P$-violating asymmetries in $B^{0}\rightarrow K^{+}\pi^{-}$ and $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ decays using $pp$ collision data, corresponding to an integrated luminosity of $1.0~{}\mathrm{fb}^{-1}$, collected with the LHCb detector in 2011 at a center-of-mass energy of $7\\!$ $\mathrm{\,Te\kern-1.00006ptV}$. The present results supersede those given in Ref. LHCb-PAPER-2011-029 . The inclusion of charge-conjugate decay modes is implied except in the asymmetry definitions. The direct $C\\!P$ asymmetry in the $B^{0}_{(s)}$ decay rate to the final state $f_{(s)}$, with $f=K^{+}\pi^{-}$ and $f_{s}=K^{-}\pi^{+}$, is defined as $A_{C\\!P}\\!\\!\left(\\!B^{0}_{(s)}\\!\\!\rightarrow\\!\\!f_{(s)}\\!\right)\\!\\!=\\!\Phi\\!\left[\Gamma\\!\left(\\!\overline{B}^{0}_{(s)}\\!\\!\rightarrow\\!\\!\bar{f}_{(s)}\\!\right)\\!\\!,\,\Gamma\\!\left(\\!B^{0}_{(s)}\\!\\!\rightarrow\\!\\!f_{(s)}\\!\right)\right]\\!\\!,$ (1) where $\Phi[X,\,Y]=(X-Y)/(X+Y)$ and $\bar{f}_{(s)}$ denotes the charge- conjugate of $f_{(s)}$. The LHCb detector Alves:2008zz is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The trigger LHCb-DP-2012-004 consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage that applies a full event reconstruction. The hadronic hardware trigger selects large transverse energy clusters in the hadronic calorimeter. The software trigger requires a two-, three-, or four- track secondary vertex with a large sum of the transverse momenta ($p_{\mathrm{T}}$) of the tracks and a significant displacement from the primary $pp$ interaction vertices (PVs). At least one track should have $p_{\mathrm{T}}$ and impact parameter (IP) $\chi^{2}$ with respect to all PVs exceeding given thresholds. The IP is defined as the distance between the reconstructed trajectory of a particle and a given $pp$ collision vertex, and the IP $\chi^{2}$ is the difference between the $\chi^{2}$ of the PV reconstructed with and without the considered track. A multivariate algorithm is used for the identification of secondary vertices consistent with the decay of a $b$ hadron. In order to improve the trigger efficiency on hadronic two- body decays, a dedicated two-body software trigger is also used. This trigger imposes requirements on the following quantities: the quality of the online- reconstructed tracks, their $p_{\mathrm{T}}$ and IP; the distance of closest approach of the decay products of the $B$ meson candidate, its $p_{\mathrm{T}}$, IP and the decay time in its rest frame. Figure 1: Invariant mass spectra obtained using the event selection adopted for the best sensitivity on (a, b) $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ and (c, d) $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$. Panels (a) and (c) represent the $K^{+}\pi^{-}$ invariant mass, whereas panels (b) and (d) represent the $K^{-}\pi^{+}$ invariant mass. The results of the unbinned maximum likelihood fits are overlaid. The main components contributing to the fit model are also shown. More selective requirements are applied offline. Two sets of criteria have been optimized with the aim of minimizing the expected statistical uncertainty either on $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ or on $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$. In addition to the requirements on the kinematic variables already used in the trigger, requirements on the largest $p_{\mathrm{T}}$ and IP of the $B$ daughter particles are applied. In the case of $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ decays, a tighter selection is needed to achieve stronger rejection of combinatorial background. For example, the decay time is required to exceed $1.5$ ps, whereas in the $B^{0}\rightarrow K^{+}\pi^{-}$ selection a lower threshold of $0.9$ ps is applied. This is because the probability for a $b$ quark to form a $B^{0}_{s}$ meson, which subsequently decays to the $K^{-}\pi^{+}$ final state, is one order of magnitude smaller than that to form a $B^{0}$ meson decaying to $K^{+}\pi^{-}$ LHCb-PAPER-2012-002 . The two samples are then subdivided according to the various final states using the particle identification (PID) provided by the two ring-imaging Cherenkov (RICH) detectors LHCb-DP-2012-003 . Two sets of PID selection criteria are applied: a loose set optimized for the measurement of $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ and a tight set for that of $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$. More details on the event selection can be found in Ref. LHCb-PAPER-2011-029 . To determine the amount of background events from other two-body $b$-hadron decays with a misidentified pion or kaon (cross-feed background), the relative efficiencies of the RICH PID selection criteria must be determined. This is achieved by means of a data-driven method that uses $D^{*+}\rightarrow D^{0}(K^{-}\pi^{+})\pi^{+}$ and $\mathchar 28931\relax\rightarrow p\pi^{-}$ decays as control samples. The production and decay kinematic properties of the $D^{0}\rightarrow K^{-}\pi^{+}$ and $\mathchar 28931\relax\rightarrow p\pi^{-}$ channels differ from those of the $b$-hadron decays under study. Since the RICH PID information is momentum dependent, a calibration procedure is performed by reweighting the distributions of the PID variables obtained from the calibration samples, in order to match the momentum distributions of signal final-state particles observed in data. Unbinned maximum likelihood fits to the mass spectra of the selected events are performed. The $B^{0}\rightarrow K^{+}\pi^{-}$ and $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ signal components are described by double Gaussian functions convolved with a function that describes the effect of final-state radiation Baracchini:2005wp . The background due to partially reconstructed three-body $B$ decays is parameterized by means of two ARGUS functions Albrecht:1989ga convolved with a Gaussian resolution function. The combinatorial background is modeled by an exponential function and the shapes of the cross-feed backgrounds, mainly due to $B^{0}\rightarrow\pi^{+}\pi^{-}$ and $B^{0}_{s}\rightarrow K^{+}K^{-}$ decays with one misidentified particle in the final state, are obtained from simulation. The cross-feed background yields are determined from the $\pi^{+}\pi^{-}$, $K^{+}K^{-}$, $p\pi^{-}$ and $pK^{-}$ mass spectra, using events passing the same selection as the signal and taking into account the appropriate PID efficiency factors. The $K^{+}\pi^{-}$ and $K^{-}\pi^{+}$ mass spectra for the events passing the two selections are shown in Fig. 1. The average invariant mass resolution is about $22~{}{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. From the two mass fits we determine the signal yields $N(B^{0}\rightarrow K^{+}\pi^{-})=41\hskip 1.42262pt420\pm 300$ and $N(B^{0}_{s}\rightarrow K^{-}\pi^{+})=1065\pm 55$, as well as the raw asymmetries $A_{\mathrm{raw}}(B^{0}\rightarrow K^{+}\pi^{-})=-0.091\pm 0.006$ and $A_{\mathrm{raw}}(B^{0}_{s}\rightarrow K^{-}\pi^{+})=0.28\pm 0.04$, where the uncertainties are statistical only. In order to derive the $C\\!P$ asymmetries from the observed raw asymmetries, effects induced by the detector acceptance and event reconstruction, as well as due to interactions of final-state particles with the detector material, must be accounted for. Furthermore, the possible presence of a $B^{0}_{(s)}-\overline{B}^{0}_{(s)}$ production asymmetry must also be considered. The $C\\!P$ asymmetry is related to the raw asymmetry by $A_{C\\!P}=A_{\mathrm{raw}}-A_{\Delta}$, where the correction $A_{\Delta}$ is defined as $A_{\Delta}(B^{0}_{(s)}\rightarrow K\pi)=\zeta_{d(s)}A_{\mathrm{D}}(K\pi)+\kappa_{d(s)}A_{\mathrm{P}}(B^{0}_{(s)}),$ (2) with $\zeta_{d}=1$ and $\zeta_{s}=-1$. The instrumental asymmetry $A_{\mathrm{D}}(K\pi)$ is given in terms of the detection efficiencies $\varepsilon_{\mathrm{D}}$ of the charge-conjugate final states by $A_{\mathrm{D}}(K\pi)=\Phi[\varepsilon_{\mathrm{D}}(K^{-}\pi^{+}),\,\varepsilon_{\mathrm{D}}(K^{+}\pi^{-})]$, and the production asymmetry $A_{\mathrm{P}}(B^{0}_{(s)})$ is defined in terms of the $\overline{B}^{0}_{(s)}$ and $B^{0}_{(s)}$ production rates, $R(\overline{B}^{0}_{(s)})$ and $R(B^{0}_{(s)})$, as $A_{\mathrm{P}}(B^{0}_{(s)})=\Phi[R(\overline{B}^{0}_{(s)}),\,R(B^{0}_{(s)})]$. The factors $\kappa_{d}$ and $\kappa_{s}$ take into account dilutions due to $B^{0}$ and $B^{0}_{s}$ meson mixing, respectively. Their values also depend on event reconstruction and selection, and are $\kappa_{d}=0.303\pm 0.005$ and $\kappa_{s}=-0.033\pm 0.003$ LHCb-PAPER-2011-029 . The factor $\kappa_{s}$ is ten times smaller than $\kappa_{d}$, owing to the large $B^{0}_{s}$ oscillation frequency. The instrumental charge asymmetry $A_{\mathrm{D}}(K\pi)$ is measured from data using $D^{*+}\rightarrow D^{0}(K^{-}\pi^{+})\pi^{+}$ and $D^{*+}\rightarrow D^{0}(K^{-}K^{+})\pi^{+}$ decays. The combination of the time-integrated raw asymmetries of these two decay modes is used to disentangle the various contributions to each raw asymmetry. The presence of open charm production asymmetries arising from the primary $pp$ interaction constitutes an additional complication. We write the following equations relating the observed raw asymmetries to the physical $C\\!P$ asymmetries $\displaystyle A^{*}_{\mathrm{raw}}(K\pi)$ $\displaystyle=$ $\displaystyle A^{*}_{\mathrm{D}}(\pi_{s})+A^{*}_{\mathrm{D}}(K\pi)+A_{\mathrm{P}}(D^{*}),$ (3) $\displaystyle A^{*}_{\mathrm{raw}}(KK)$ $\displaystyle=$ $\displaystyle A_{C\\!P}(KK)+A^{*}_{\mathrm{D}}(\pi_{s})+A_{\mathrm{P}}(D^{*}),$ (4) where $A^{*}_{\mathrm{raw}}(K\pi)$ and $A^{*}_{\mathrm{raw}}(KK)$ are the time-integrated raw asymmetries in $D^{*}$-tagged $D^{0}\rightarrow K^{-}\pi^{+}$ and $D^{0}\rightarrow K^{-}K^{+}$ decays, respectively; $A_{C\\!P}(KK)$ is the $D^{0}\rightarrow K^{-}K^{+}$ $C\\!P$ asymmetry; $A^{*}_{\mathrm{D}}(K\pi)$ is the detection asymmetry in reconstructing $D^{0}\rightarrow K^{-}\pi^{+}$ and $\overline{D}^{0}\rightarrow K^{+}\pi^{-}$ decays; $A^{*}_{\mathrm{D}}(\pi_{s})$ is the detection asymmetry in reconstructing positively- and negatively-charged pions originated from $D^{*}$ decays; and $A_{\mathrm{P}}(D^{*})$ is the production asymmetry for prompt charged $D^{*}$ mesons. In Eq. (3) any possible $C\\!P$ asymmetry in the Cabibbo-favored $D^{0}\rightarrow K^{-}\pi^{+}$ decay is neglected Bianco:2003vb . By subtracting Eqs. (3) and (4), one obtains $A^{*}_{\mathrm{raw}}(K\pi)-A^{*}_{\mathrm{raw}}(KK)=A^{*}_{\mathrm{D}}(K\pi)-A_{C\\!P}(KK).$ (5) Once the raw asymmetries are measured, this equation determines unambiguously the detection asymmetry $A^{*}_{\mathrm{D}}(K\pi)$, using the world average for the $C\\!P$ asymmetry of the $D^{0}\rightarrow K^{-}K^{+}$ decay. Since the measured value of the time-integrated asymmetry depends on the decay-time acceptance, the existing measurements of $A_{C\\!P}(KK)$ Staric:2008rx ; Aubert:2007if ; Aaltonen:2011se are corrected for the difference in acceptance with respect to LHCb LHCb-PAPER-2011-023 . This leads to the value $A_{C\\!P}(KK)=(-0.24\pm 0.18)\%$. Furthermore, $B$ meson production and decay kinematic properties differ from those of the $D$ decays being considered, and different trigger and selection algorithms are applied. In order to correct the raw asymmetries of $B$ decays, using the detection asymmetry $A^{*}_{\mathrm{D}}(K\pi)$ derived from $D$ decays, a reweighting procedure is needed. We reweight the $D^{0}$ momentum, transverse momentum and azimuthal angle in $D^{0}\rightarrow K^{-}\pi^{+}$ and $D^{0}\rightarrow K^{-}K^{+}$ decays, to match the respective $B^{0}_{(s)}$ distributions in $B^{0}\rightarrow K^{+}\pi^{-}$ and $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ decays. The raw asymmetries are determined by means of $\chi^{2}$ fits to the reweighted $\delta m=M_{D^{*}}-M_{D^{0}}$ distributions, where $M_{D^{*}}$ and $M_{D^{0}}$ are the reconstructed $D^{*}$ and $D^{0}$ candidate invariant masses, respectively. From the raw asymmetries, values for the quantity $\Delta A=A_{\mathrm{D}}(K\pi)-A_{C\\!P}(KK)$ are determined. We obtain the values $\Delta A=(-0.91\pm 0.15)\%$ and $\Delta A=(-0.98\pm 0.11)\%$, using as target kinematic distributions those of $B$ candidates passing the event selection optimized for $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ and for $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$, respectively. Using these two values of $\Delta A$ and the value of $A_{C\\!P}(KK)$, we obtain the instrumental asymmetries $A_{\mathrm{D}}(K\pi)=(-1.15\pm 0.23)\%$ for the $B^{0}\rightarrow K^{+}\pi^{-}$ decay and $A_{\mathrm{D}}(K\pi)=(-1.22\pm 0.21)\%$ for the $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ decay. Assuming negligible $C\\!P$ violation in the mixing, as expected in the SM and confirmed by current experimental determinations bib:hfagbase , the decay rate of a $B^{0}_{(s)}$ meson with production asymmetry $A_{\mathrm{P}}$, decaying into a flavor-specific final state $f_{(s)}$ with $C\\!P$ asymmetry $A_{C\\!P}$ and detection asymmetry $A_{\mathrm{D}}$, can be written as $\mathcal{R}(t;\,p)\propto\left(1\\!-\\!pA_{C\\!P}\right)\left(1\\!-\\!pA_{\mathrm{D}}\right)\left[H_{+}\\!\left(t\right)\\!-\\!pA_{\mathrm{P}}H_{-}\\!\left(t\right)\right]\\!,$ (6) where $t$ is the reconstructed decay time of the $B$ meson and $p$ assumes the values $p=+1$ for the final state $f_{(s)}$ and $p=-1$ for the final state $\bar{f}_{(s)}$. The functions $H_{+}\left(t\right)$ and $H_{-}\left(t\right)$ are defined as $\displaystyle H_{+}\\!\left(t\right)\\!$ $\displaystyle=$ $\displaystyle\\!\\!\left[e^{-\Gamma_{d(s)}t^{\prime}}\\!\\!\\!\cosh\\!{\left(\\!\\!\frac{\Delta\Gamma_{d(s)}}{2}t^{\prime}\\!\\!\right)}\\!\\!\otimes\\!R\\!\left(t,\,t^{\prime}\right)\right]\\!\varepsilon_{d(s)}\\!\left(t\right)\\!,$ (7) $\displaystyle H_{-}\\!\left(t\right)\\!$ $\displaystyle=$ $\displaystyle\\!\\!\left[e^{-\Gamma_{d(s)}t^{\prime}}\\!\\!\\!\cos\\!{\left(\Delta m_{d(s)}t^{\prime}\right)}\\!\otimes\\!R\\!\left(t,\,t^{\prime}\right)\right]\\!\varepsilon_{d(s)}\\!\left(t\right)\\!,$ (8) where $\Gamma_{d(s)}$ is the average decay width of the $B^{0}_{(s)}$ meson, $\Delta\Gamma_{d(s)}$ and $\Delta m_{d(s)}$ are the decay width and mass differences between the two $B^{0}_{(s)}$ mass eigenstates respectively, $R\left(t,\,t^{\prime}\right)$ is the decay time resolution ($\sigma\simeq 50~{}\mathrm{fs}$ in our case) and the symbol $\otimes$ stands for convolution. Finally $\varepsilon_{d(s)}\left(t\right)$ is the acceptance as a function of the $B^{0}_{(s)}$ decay time. Using Eq. (6) we obtain the following expression for the time-dependent asymmetry $\displaystyle\mathcal{A}\left(t\right)$ $\displaystyle=$ $\displaystyle\Phi\\!\left[\mathcal{R}\left(t;\,-1\right)\\!,\,\mathcal{R}\left(t;\,+1\right)\right]$ $\displaystyle=$ $\displaystyle\frac{\left(A_{C\\!P}\\!+\\!A_{\mathrm{D}}\right)\\!H_{+}\\!\left(t\right)\\!+\\!A_{\mathrm{P}}\left(1\\!+\\!A_{C\\!P}A_{\mathrm{D}}\right)\\!H_{-}\\!\left(t\right)}{\left(1\\!+\\!A_{C\\!P}A_{\mathrm{D}}\right)\\!H_{+}\\!\left(t\right)\\!+\\!A_{\mathrm{P}}\left(A_{C\\!P}\\!+\\!A_{\mathrm{D}}\right)\\!H_{-}\\!\left(t\right)}.$ For illustrative purposes only, we consider the case of perfect decay time resolution and negligible $\Delta\Gamma$, retaining only first-order terms in $A_{C\\!P}$, $A_{\mathrm{P}}$ and $A_{\mathrm{D}}$. In this case, Eq. (First observation of $C\\!P$ violation in the decays of $B^{0}_{s}$ mesons) reduces to the expression $\mathcal{A}\left(t\right)\approx A_{C\\!P}+A_{\mathrm{D}}+A_{\mathrm{P}}\cos{\left(\Delta m_{d(s)}t\right)},$ (10) i.e., the time-dependent asymmetry has an oscillatory term with amplitude equal to the production asymmetry $A_{\mathrm{P}}$. By studying the full time- dependent decay rate it is then possible to determine $A_{\mathrm{P}}$ unambiguously. In order to measure the production asymmetry $A_{\mathrm{P}}$ for $B^{0}$ and $B^{0}_{s}$ mesons, we perform fits to the decay time spectra of the $B$ candidates, separately for the events passing the two selections. The $B^{0}$ production asymmetry is determined from the sample obtained applying the selection optimized for the measurement of $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$, whereas the $B^{0}_{s}$ production asymmetry is determined from the sample obtained applying the selection optimized for the measurement of $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$. We obtain $A_{\mathrm{P}}(B^{0})=(0.1\pm 1.0)\%$ and $A_{\mathrm{P}}(B^{0}_{s})=(4\pm 8)\%$. Figure 2 shows the raw asymmetries as a function of the decay time, obtained by performing fits to the invariant mass distributions of events restricted to independent intervals of the $B$ candidate decay times. Figure 2: Raw asymmetries as a function of the decay time for (a) $B^{0}\rightarrow K^{+}\pi^{-}$ and (b) $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ decays. In (b), the offset $t_{0}=1.5$${\rm\,ps}$ corresponds to the minimum value of the decay time required by the $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ event selection. The curves represent the asymmetry projections of fits to the decay time spectra. By using the values of the detection and production asymmetries, the correction factors to the raw asymmetries $A_{\Delta}(B^{0}\rightarrow K^{+}\pi^{-})=\left(-1.12\pm 0.23\pm 0.30\right)\\!\%$ and $A_{\Delta}(B^{0}_{s}\rightarrow K^{-}\pi^{+})=\left(1.09\pm 0.21\pm 0.26\right)\\!\%$ are obtained, where the first uncertainties are due to the detection asymmetry and the second to the production asymmetry. Systematic uncertainties on the asymmetries are related to PID calibration, modeling of the signal and background components in the maximum likelihood fits and instrumental charge asymmetries. In order to estimate the impact of imperfect PID calibration, we perform mass fits to determine raw asymmetries using altered numbers of cross-feed background events, according to the systematic uncertainties affecting the PID efficiencies. An estimate of the uncertainty due to possible mismodeling of the final-state radiation is determined by varying the amount of emitted radiation Baracchini:2005wp in the signal shape parameterization, according to studies performed on fully simulated events, in which final state radiation is generated using Photos Golonka:2005pn . The possibility of an incorrect description of the signal mass model is investigated by replacing the double Gaussian function with the sum of three Gaussian functions, where the third component has fixed fraction ($5\%$) and width ($50\,{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$), and is aimed at describing long tails, as observed in simulation. To assess a systematic uncertainty on the shape of the partially reconstructed backgrounds, we remove the second ARGUS function. For the modeling of the combinatorial background component, the fit is repeated using a straight line. Finally, for the case of the cross-feed backgrounds, two distinct systematic uncertainties are estimated: one due to a relative bias in the mass scale of the simulated distributions with respect to the signal distributions in data, and another accounting for the difference in mass resolution between simulation and data. All shifts from the relevant baseline values are accounted for as systematic uncertainties. Systematic uncertainties related to the determination of detection asymmetries are calculated by summing in quadrature the respective uncertainties on $A_{\Delta}(B^{0}\rightarrow K^{+}\pi^{-})$ and $A_{\Delta}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$ with an additional uncertainty of $0.10\%$, accounting for residual differences in the trigger composition between signal and calibration samples. The systematic uncertainties for $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ and $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$ are summarized in Table 1. Since the production asymmetries are obtained from the fitted decay time spectra of $B^{0}\rightarrow K^{+}\pi^{-}$ and $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ decays, their uncertainties are statistical in nature and are then propagated to the statistical uncertainties on $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ and $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$. Table 1: Systematic uncertainties on $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ and $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$. The total systematic uncertainties are obtained by summing the individual contributions in quadrature. Systematic uncertainty | $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ | $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$ ---|---|--- PID calibration | 0.0006 | 0.0012 Final state radiation | 0.0008 | 0.0020 Signal model | 0.0001 | 0.0064 Combinatorial background | 0.0004 | 0.0042 Three-body background | 0.0005 | 0.0027 Cross-feed background | 0.0010 | 0.0033 Detection asymmetry | 0.0025 | 0.0023 Total | 0.0029 | 0.0094 In conclusion, the parameters of $C\\!P$ violation in $B^{0}\rightarrow K^{+}\pi^{-}$ and $B^{0}_{s}\rightarrow K^{-}\pi^{+}$ decays have been measured to be $\displaystyle A_{C\\!P}(B^{0}\\!\rightarrow\\!K^{+}\pi^{-})$ $\displaystyle=$ $\displaystyle-0.080\pm 0.007\,\mathrm{(stat)}\pm 0.003\,\mathrm{(syst)},$ $\displaystyle A_{C\\!P}(B^{0}_{s}\\!\rightarrow\\!K^{-}\pi^{+})$ $\displaystyle=$ $\displaystyle 0.27\pm 0.04\,\mathrm{(stat)}\pm 0.01\,\mathrm{(syst)}.$ Dividing the central values by the sum in quadrature of statistical and systematic uncertainties, the significances of the measured deviations from zero are $10.5\sigma$ and $6.5\sigma$, respectively. The former is the most precise measurement of $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ to date, whereas the latter represents the first observation of $C\\!P$ violation in decays of $B^{0}_{s}$ mesons with significance exceeding $5\sigma$. Both measurements are in good agreement with world averages bib:hfagbase and previous LHCb results LHCb-PAPER-2011-029 . These results allow a stringent test of the validity of the relation between $A_{C\\!P}(B^{0}\rightarrow K^{+}\pi^{-})$ and $A_{C\\!P}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$ in the SM given in Ref. Lipkin:2005pb as $\Delta=\frac{A_{C\\!P}(B^{0}\\!\rightarrow\\!K^{+}\pi^{-})}{A_{C\\!P}(B^{0}_{s}\\!\rightarrow\\!K^{-}\pi^{+})}+\frac{\mathcal{B}(B^{0}_{s}\\!\rightarrow\\!K^{-}\pi^{+})}{\mathcal{B}(B^{0}\\!\rightarrow\\!K^{+}\pi^{-})}\frac{\tau_{d}}{\tau_{s}}=0,$ (11) where $\mathcal{B}(B^{0}\rightarrow K^{+}\pi^{-})$ and $\mathcal{B}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$ are $C\\!P$-averaged branching fractions, and $\tau_{d}$ and $\tau_{s}$ are the $B^{0}$ and $B^{0}_{s}$ mean lifetimes, respectively. Using additional results for $\mathcal{B}(B^{0}\rightarrow K^{+}\pi^{-})$ and $\mathcal{B}(B^{0}_{s}\rightarrow K^{-}\pi^{+})$ LHCb-PAPER-2012-002 and the world averages for $\tau_{d}$ and $\tau_{s}$ bib:hfagbase , we obtain $\Delta=-0.02\pm 0.05\pm 0.04$, where the first uncertainty is from the measurements of the $C\\!P$ asymmetries and the second is from the input values of the branching fractions and the lifetimes. No evidence for a deviation from zero of $\Delta$ is observed with the present experimental precision. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. 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arxiv-papers
2013-04-23T05:54:19
2024-09-04T02:49:44.680612
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, G. Bencivenni, S.\n Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M. van Beuzekom,\n A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F.\n Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W. Bonivento, S.\n Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van\n den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton, N.H. Brook, H.\n Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S. Cadeddu, O.\n Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, D. Campora Perez,\n A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H. Carranza-Mejia, L.\n Carson, K. Carvalho Akiba, G. Casse, L. Castillo Garcia, M. Cattaneo, Ch.\n Cauet, M. Charles, Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K.\n Ciba, X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, B.\n Couturier, G.A. Cowan, D.C. Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P.\n David, P.N.Y. David, A. Davis, I. De Bonis, K. De Bruyn, S. De Capua, M. De\n Cian, J.M. De Miranda, L. De Paula, W. De Silva, P. De Simone, D. Decamp, M.\n Deckenhoff, L. Del Buono, N. D\\'el\\'eage, D. Derkach, O. Deschamps, F.\n Dettori, A. Di Canto, F. Di Ruscio, H. Dijkstra, M. Dogaru, S. Donleavy, F.\n Dordei, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya, F. Dupertuis, R.\n Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U. Egede, V. Egorychev, S.\n Eidelman, D. van Eijk, S. Eisenhardt, U. Eitschberger, R. Ekelhof, L. Eklund,\n I. El Rifai, Ch. Elsasser, D. Elsby, A. Falabella, C. F\\\"arber, G. Fardell,\n C. Farinelli, S. Farry, V. Fave, D. Ferguson, V. Fernandez Albor, F. Ferreira\n Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, C. Fitzpatrick, M. Fontana,\n F. Fontanelli, R. Forty, O. Francisco, M. Frank, C. Frei, M. Frosini, S.\n Furcas, E. Furfaro, A. Gallas Torreira, D. Galli, M. Gandelman, P. Gandini,\n Y. Gao, J. Garofoli, P. Garosi, J. Garra Tico, L. Garrido, C. Gaspar, R.\n Gauld, E. Gersabeck, M. Gersabeck, T. Gershon, Ph. Ghez, V. Gibson, V.V.\n Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M.\n Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G.\n Graziani, A. Grecu, E. Greening, S. Gregson, P. Griffith, O. Gr\\\"unberg, B.\n Gui, E. Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G. Haefeli, C. Haen,\n S.C. Haines, S. Hall, T. Hampson, S. Hansmann-Menzemer, N. Harnew, S.T.\n Harnew, J. Harrison, T. Hartmann, J. He, V. Heijne, K. Hennessy, P. Henrard,\n J.A. Hernando Morata, E. van Herwijnen, E. Hicks, D. Hill, M. Hoballah, C.\n Hombach, P. Hopchev, W. Hulsbergen, P. Hunt, T. Huse, N. Hussain, D.\n Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik, P. Ilten, R. Jacobsson, A.\n Jaeger, E. Jans, P. Jaton, A. Jawahery, F. Jing, M. John, D. Johnson, C.R.\n Jones, C. Joram, B. Jost, M. Kaballo, S. Kandybei, M. Karacson, T.M. Karbach,\n I.R. Kenyon, U. Kerzel, T. Ketel, A. Keune, B. Khanji, O. Kochebina, I.\n Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L. Kravchuk,\n K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M. Kucharczyk, V.\n Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G. Lafferty, A.\n Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C. Langenbruch,\n T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\'evre,\n A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B. Leverington, Y.\n Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G. Liu, S. Lohn, I.\n Longstaff, J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H. Lu, D. Lucchesi,\n J. Luisier, H. Luo, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S.\n Malde, G. Manca, G. Mancinelli, U. Marconi, R. M\\\"arki, J. Marks, G.\n Martellotti, A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M. Martinelli, D.\n Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev, Z. Mathe, C.\n Matteuzzi, E. Maurice, A. Mazurov, J. McCarthy, A. McNab, R. McNulty, B.\n Meadows, F. Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J.\n Molina Rodriguez, S. Monteil, D. Moran, P. Morawski, M.J. Morello, R.\n Mountain, I. Mous, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster,\n P. Naik, T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neufeld, A.D.\n Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R. Niet, N. Nikitin,\n T. Nikodem, A. Nomerotski, A. Novoselov, A. Oblakowska-Mucha, V. Obraztsov,\n S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, M. Orlandea, J.M. Otalora\n Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano, M. Palutan, J. Panman,\n A. Papanestis, M. Pappagallo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D.\n Patel, M. Patel, G.N. Patrick, C. Patrignani, C. Pavel-Nicorescu, A. Pazos\n Alvarez, A. Pellegrino, G. Penso, M. Pepe Altarelli, S. Perazzini, D.L.\n Perego, E. Perez Trigo, A. P\\'erez-Calero Yzquierdo, P. Perret, M.\n Perrin-Terrin, G. Pessina, K. Petridis, A. Petrolini, A. Phan, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, S. Playfer, M. Plo Casasus, F.\n Polci, G. Polok, A. Poluektov, E. Polycarpo, A. Popov, D. Popov, B. Popovici,\n C. Potterat, A. Powell, J. Prisciandaro, V. Pugatch, A. Puig Navarro, G.\n Punzi, W. Qian, J.H. Rademacker, B. Rakotomiaramanana, M.S. Rangel, I.\n Raniuk, N. Rauschmayr, G. Raven, S. Redford, M.M. Reid, A.C. dos Reis, S.\n Ricciardi, A. Richards, K. Rinnert, V. Rives Molina, D.A. Roa Romero, P.\n Robbe, E. Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A. Romero\n Vidal, J. Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino,\n J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, V. Salustino Guimaraes,\n C. Salzmann, B. Sanmartin Sedes, M. Sannino, R. Santacesaria, C. Santamarina\n Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie,\n D. Savrina, P. Schaack, M. Schiller, H. Schindler, M. Schlupp, M. Schmelling,\n B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B.\n Sciascia, A. Sciubba, M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N.\n Serra, J. Serrano, P. Seyfert, M. Shapkin, I. Shapoval, P. Shatalov, Y.\n Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires,\n R. Silva Coutinho, T. Skwarnicki, N.A. Smith, E. Smith, M. Smith, M.D.\n Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza De Paula, B. Spaan, A.\n Sparkes, P. Spradlin, F. Stagni, S. Stahl, O. Steinkamp, S. Stoica, S. Stone,\n B. Storaci, M. Straticiuc, U. Straumann, V.K. Subbiah, L. Sun, S. Swientek,\n V. Syropoulos, M. Szczekowski, P. Szczypka, T. Szumlak, S. T'Jampens, M.\n Teklishyn, E. Teodorescu, F. Teubert, C. Thomas, E. Thomas, J. van Tilburg,\n V. Tisserand, M. Tobin, S. Tolk, D. Tonelli, S. Topp-Joergensen, N. Torr, E.\n Tournefier, S. Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev, P.\n Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, D. Urner, U. Uwer, V.\n Vagnoni, G. Valenti, R. Vazquez Gomez, P. Vazquez Regueiro, S. Vecchi, J.J.\n Velthuis, M. Veltri, G. Veneziano, M. Vesterinen, B. Viaud, D. Vieira, X.\n Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D. Voong, A. Vorobyev, V.\n Vorobyev, C. Vo\\ss, H. Voss, R. Waldi, R. Wallace, S. Wandernoth, J. Wang,\n D.R. Ward, N.K. Watson, A.D. Webber, D. Websdale, M. Whitehead, J. Wicht, J.\n Wiechczynski, D. Wiedner, L. Wiggers, G. Wilkinson, M.P. Williams, M.\n Williams, F.F. Wilson, J. Wishahi, M. Witek, S.A. Wotton, S. Wright, S. Wu,\n K. Wyllie, Y. Xie, F. Xing, Z. Xing, Z. Yang, R. Young, X. Yuan, O.\n Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y.\n Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Vincenzo Maria Vagnoni", "url": "https://arxiv.org/abs/1304.6173" }
1304.6190
# $X(1870)$ and $\eta_{2}(1870)$: Which can be assigned as a hybrid state? Bing Chen111Corresponding author: [email protected] School of Physics and Electrical Engineering, Anyang Normal University, Anyang 455000, China Ke-Wei Wei School of Physics and Electrical Engineering, Anyang Normal University, Anyang 455000, China Ailin Zhang Department of Physics, Shanghai University, Shanghai 200444, China ###### Abstract The mass spectrum and strong decays of the $X(1870)$ and $\eta_{2}(1870)$ are analyzed. Our results indicate that $X(1870)$ and $\eta_{2}(1870)$ are the two different resonances. The narrower $X(1870)$ seems likely a good hybrid candidate. We support the $\eta_{2}(1870)$ as the $\eta_{2}(2^{1}D_{2})$ quarkonium. We suggest to search the isospin partner of $X(1870)$ in the channels of $J/\psi\rightarrow\rho f_{0}(980)\pi$ and $J/\psi\rightarrow\rho b_{1}(1235)\pi$ in the future. The latter channel is very important for testing the hybrid scenario. ###### pacs: 12.38.Lg, 13.25.Jx ††preprint: AHEP(Hadron)/AYNU[2013] ## I INTRODUCTION A isoscalar resonant structure of $X(1870)$ was observed by the BESIII Collaboration with a statistical significance of 7.2$\sigma$ in the processes $J/\psi\rightarrow\omega X(1870)\rightarrow\omega\eta\pi^{+}\pi^{-}$ recently Bes6 . Its mass and width were given as $M=1877.3\pm 6.3^{+3.4}_{-7.4}$MeV, $\Gamma=57\pm 12^{+19}_{-4}$MeV. Here the first errors are statistical and the second ones are systematic. The product branching fraction of $\mathcal{B}(J/\psi\rightarrow\omega X(1870))\cdot\mathcal{B}(X(1870)\rightarrow a^{\pm}_{0}(980)\pi^{\mp})\cdot\mathcal{B}(a^{\pm}_{0}(980)\rightarrow\eta\pi^{\pm})=[1.5\pm 0.26(stat)^{+0.72}_{-0.36}(syst)]\times 10^{-4}$ was also presented Bes6 . But the quantum numbers of $X(1870)$ are still unknown, then the partial wave analysis is required in future. The mass of $X(1870)$ is consistent with the $\eta_{2}(1870)$, but the width is much narrower than the $\eta_{2}(1870)$. In the tables of the Particle Data Group (PDG) PDG , the available mass and width of $\eta_{2}(1870)$ are _M_ = 1842 $\pm$ 8MeV, $\Gamma$ = 225 $\pm$ 14MeV. The $\eta_{2}(1870)$ has been observed in $\gamma\gamma$ reactions Crystall ; DESY , $p\bar{p}$ annihilation pp1 ; pp2 ; WA1021 ; WA1022 and radiative $J/\psi$ decays Bes7 . It should be stressed that radiative $J/\psi$ decay channels (Fig.1[A]) and $p\bar{p}$ annihilation prosesses are the ideal glueball hunting grounds. But the glueball production is suppressed in $\gamma\gamma$ reaction. By contrast, the hadronic $J/\psi$ decay are considered ``hybrid rich'' (Fig.1[B]). Figure 1: [A]. A prior production of glueball in the $J/\psi\rightarrow\gamma X_{G}$; [B]. A prior production of hybrid in the $J/\psi\rightarrow\omega X_{H}$. Furthermore, the branching ratio $\mathcal{R}_{1}=\frac{\Gamma(\eta_{2}(1870)\rightarrow a_{2}(1320)\pi)}{\Gamma(\eta_{2}(1870)\rightarrow a_{0}(980)\pi)}=32.6\pm 12.6$ reported by the WA102 Collaboration indicates that the decay channel of $a_{0}(980)\pi$ is tiny for $\eta_{2}(1870)$ WA1021 . This has been confirmed by an extensive re-analysis of the Crystal Barrel data Bugg1 . Differently, the analysis of BESIII Collaboration indicates that the $X(1870)$ primarily decay via the $a_{0}(980)\pi$ channel Bes6 . Then the present measurements of the decay widths, productions, and decay properties suggest that $\eta_{2}(1870)$ and $X(1870)$ are two different isoscalar mesons. If the production process $J/\psi\rightarrow\omega X(1870)$ is mainly hadronic, the quantum numbers of $X(1870)$ should be $0^{+}0^{-+}$, $0^{+}1^{++}$ or $0^{+}2^{-+}$. One notices that the predicted masses for the light $0^{+}0^{-+}$, $0^{+}1^{++}$ and $0^{+}2^{-+}$ hybrids overlap 1.8GeV in the Bag model Bag1 ; Bag2 , the flux-tube model tube1 ; tube2 and the constituent gluon model gluon . In addition, the decay width of isoscalar $2^{-+}$ hybrid is expected to be narrow Swanson . Therefore, $X(1870)$ becomes a possible $2^{-+}$ hybrid candidate. In addition, the predicted masses of $0^{-+}$ and $2^{-+}$ glueball are much higher than 1.8 GeV by lattice gauge theory latt1 ; latt2 ; latt3 . Therefore, $X(1870)$ is not likely to be a glueball state. Moreover, the molecule and fourquark states are not expected in this region Swanson . Then the unclear structure $X(1870)$ looks more like a good hybrid candidate. But the actual situation is much complicated because the nature of $\eta_{2}(1870)$ is still ambiguous: 1. (i) Since no evidences have been found in the decay mode of $K\bar{K}\pi$, the $\eta_{2}(1870)$ disfavors the $1^{1}D_{2}$ $s\bar{s}$ quarkonium assignment. The mass of $\eta_{2}(1870)$ seems much smaller for the $2^{1}D_{2}$ $n\bar{n}$ ($n\bar{n}\equiv(u\bar{u}+d\bar{d})/\sqrt{2}$) state in the Godfrey-Isgur (GI) quark model Isgur . Therefore the $\eta_{2}(1870)$ has been assigned as the $2^{-+}$ hybrid state Bugg1 ; Bugg2 ; Klmept1 ; Amsler1 . 2. (ii) However, Li and Wang pointed out that the mass, production, total decay width, and decay pattern of the $\eta_{2}(1870)$ do not appear to contradict with the picture of it as being the conventional $2^{1}D_{2}$ $n\bar{n}$ state Li3 . Therefore, systematical study of the mass spectrum and strong decay properties is urgently required for $X(1870)$ and $\eta_{2}(1870)$. Some valuable suggestions for the experiments in future are also needed. The paper is organized as follows. In Sec.II, the masses of $X(1870)$ and $\eta_{2}(1870)$ will be explored in the GI relativized quark model and the Regge trajectories (RTs) framework. In Sec.III, the decay processes that a isoscalar meson decays into light scalar (below 1 GeV) and pseudoscalar mesons will discussed. The two-body strong decays $X(1870)$ and $\eta_{2}(1870)$ will be calculated within the ${}^{3}P_{0}$ model and the flux-tube model. Finally, our discussions and conclusions will be presented in Sec.IV. ## II Mass spectrum In the Godfrey-Isgur relativized potential model Isgur , the Hamiltonian consists of the central potential and a kinetic term in a ``relativized'' form $H=\sqrt{\vec{p}_{q}^{2}+m^{2}_{q}}+\sqrt{\vec{p}_{\bar{q}}^{2}+m^{2}_{\bar{q}}}+V_{q\bar{q}}(r).$ (1) The funnel-shaped potentials which include a color coulomb term at short distances and a linear scalar confining term at large distances are usually incorporated as the zeroth-order potential. The typical funnel-shaped potential was proposed by the Cornell group (Cornell potential) with the form Eichten $V_{q\bar{q}}(r)=-\frac{4}{3}\frac{\alpha_{s}}{r}+\sigma r+C.$ (2) The strong coupling constant $\alpha_{s}$, the string tension $\sigma$ and the constant _C_ are the model parameters which can be fixed by the well established experimental states. The remaining spin-dependent terms for mass shifts are usually treated as the leading-order perturbations which include the spin-spin contact hyperfine interaction, spin-orbit and tensor interactions and a longer-ranged inverted spin-orbit term. They arise from one gluon exchange (OGE) forces and the assumed Lorentz scalar confinement. The expressions for these terms may be found in Ref. Isgur . It should be pointed out that the nonperturbative contribution may dominate for the hyperfine splitting of light mesons, which is not like the heavy quarkonium Badalian . For example, the hyperfine shift of the $h_{c}(1P)$ meson with respect to the center gravity of the $\chi_{c}(1P)$ mesons is much small: $M_{cog}(\chi_{c})-M(h_{c})=-0.02\pm 0.19\pm 0.13$MeV CLEO . However, for the light isovector mesons $a_{0}(1450)$, $a_{1}(1260)$, $a_{2}(1320)$, and $b_{1}(1235)$, the hyperfine shift is $76.7\pm 44.4$ MeV. Here the masses of $a_{0}$, $a_{1}$, $a_{2}$, and $b_{1}$ are taken from PDG PDG . For the complexities of nonperturbative interactions, then we are not going to calculate the hyperfine splitting. Now, the spin-averaged mass, $\bar{M}_{nl}$, of $nL$ multiplet can be obtained by solving the spinless Salpeter equation $[\sqrt{\vec{p}_{q}^{2}+m^{2}_{q}}+\sqrt{\vec{p}_{\bar{q}}^{2}+m^{2}_{\bar{q}}}+V_{q\bar{q}}(r)]\psi(r)=E\psi(r).$ (3) Here we employ a variational approach described in Ref. var to solve the Eq.(3). This variational approach has been applied well in solving the Salpeter equation for $c\bar{s}$ cs , $c\bar{c}$ and $b\bar{b}$ cc mass spectrum. In the calculations, the basic simple harmonic oscillator (SHO) functions are taken as the trial wave functions. It is given by $\psi_{nl}(r,\beta)=\beta^{3/2}\sqrt{\frac{2(2n-1)!}{\Gamma(n+l+\frac{1}{2})}}(\beta r)^{l}e^{-\frac{\beta^{2}r^{2}}{2}}L^{l+1/2}_{n-1}(\beta^{2}r^{2})$ in the position space. Here the SHO function scale $\beta$ is the variational parameter. By the Fourier transform, the SHO radial wave function in the momentum is $\displaystyle\psi_{nl}(p,\beta)=\frac{(-1)^{n}}{\beta^{3/2}}\sqrt{\frac{2(2n-1)!}{\Gamma(n+l+\frac{1}{2})}}(\frac{p}{\beta})^{l}e^{-\frac{p^{2}}{2\beta^{2}}}L^{l+1/2}_{n-1}(\frac{p^{2}}{\beta^{2}}).$ The wave functions of $\psi_{nl}(r,\beta)$ and $\psi_{nl}(p,\beta)$ meet the normalization conditions: $\int^{\infty}_{0}\psi^{2}_{nl}(r,\beta)r^{2}dr=1;~{}~{}~{}~{}\int^{\infty}_{0}\psi^{2}_{nl}(p,\beta)p^{2}dp=1.$ In the variational approach, the corresponding $\bar{M}_{nl}$ are given by minimizing the expectation value of $H$ $\frac{d}{d\beta}E_{nl}(\beta)=0.$ (4) where $E_{nl}(\beta)\equiv\langle H\rangle_{nl}=\langle\psi_{nl}|H|\psi_{nl}\rangle.$ (5) When all the parameters of the potential model are known, the values of the harmonic oscillator parameter $\bar{\beta}$ can be fixed directly. With the values of $\bar{\beta}$, all the spin-averaged mass $\bar{M}_{nl}$ will be obtained easily. $\bar{M}_{nl}$ obtained in this way trend to be better for the higher-excited states Roberts . It is unreasonable to treat the spin-spin contact hyperfine interaction as a perturbation for the ground states, because the mass splitting between pseudoscalar mesons and vector mesons are much large. Then we consider the contributions of $V_{\vec{s}\cdot\vec{s}}(r)$ for the $1S$ mesons. The following Gaussian-smeared contact hyperfine interaction ss is taken for convenience, $V_{q\bar{q}}^{\vec{s}\cdot\vec{s}}(r)=\frac{32\pi\alpha_{s}}{9m^{2}_{q}}(\frac{\kappa}{\sqrt{\pi}})^{3}e^{-\kappa^{2}r^{2}}\vec{S}_{q}\cdot\vec{S}_{\bar{q}}.$ (6) In this work, we choose the model parameters as follows: $m_{u}$ = $m_{d}$ = 0.220 GeV, $m_{s}=$ 0.428 GeV, $\alpha_{s}=$ 0.6, $\sigma=$ 0.143 GeV2, $\kappa=$ $0.37$ GeV, and $C=$ $-0.37$ GeV. We take the smaller value of $\sigma$ here rather than the value in Ref. Isgur . The smaller $\sigma$ was obtained by the relation between the slope of the Regge trajectory for the Salpeter equation $\alpha^{\prime}$ and the slope $\alpha^{\prime}_{st}$ in the string picture Badalian . The Gaussian smearing parameter $\kappa$ seems a little smaller than that in Ref. Isgur . However, the $\kappa$ is usually fitted by the hyperfine splitting of low-excited $nS$ states in the literatures with a certain arbitrariness. The values of $\bar{M}_{nL}$ and $\bar{\beta}$ for the states $2S$, $3S$, $4S$, $1P$, $2P$, $3P$, $1D$, $2D$, $3D$, $1F$, $2F$, $1G$ and $1H$ are listed in Table 1. The experimental masses for the relative mesons are taken from PDG PDG . States | $\bar{M}_{nl}(n\bar{n})$ | $\bar{\beta}$ | Expt. PDG | $\bar{M}_{nl}(s\bar{s})$ | $\bar{\beta}$ | Expt. PDG ---|---|---|---|---|---|--- 1S | - | 0.44 0.34 | - | - | 0.42 0.39 | - 2S | 1.399 | 0.310 | 1.389 | 1.631 | 0.330 | 1.629 3S | 1.859 | 0.295 | | $\underline{2.069}$ | 0.310 | 4S | 2.240 | 0.290 | | 2.436 | 0.300 | 1P | 1.252 | 0.310 | 1.257 | 1.460 | 0.340 | 1.478 2P | 1.711 | 0.294 | | $\underline{1.926}$ | 0.315 | 3P | 2.110 | 0.290 | | 2.308 | 0.300 | 1D | 1.661 | 0.280 | 1.672 | $\underline{1.883}$ | 0.300 | 2D | $\underline{2.067}$ | 0.276 | | 2.272 | 0.292 | 3D | 2.417 | 0.275 | | 2.609 | 0.288 | 1F | 1.924 | 0.277 | | 2.128 | 0.295 | 2F | 2.287 | 0.275 | | 2.478 | 0.290 | 1G | 2.161 | 0.275 | | 2.350 | 0.292 | 1H | 2.377 | 0.273 | | 2.554 | 0.287 | Table 1: The spin-averaged mass (unit: GeV) and the harmonic oscillator parameter $\bar{\beta}$ (unit: GeV-1) of the states $2S$, $3S$, $4S$, $1P$, $2P$, $3P$, $1D$, $2D$, $3D$, $1F$, $2F$, $1G$, and $1H$. Obviously, the spin-averaged masses of the $2S$, $1P$, $1D$ $n\bar{n}$ and $1P$, $2S$ $s\bar{s}$ mesons are consistent with the experimental data. Indeed, the predicted masses of higher excited states here are also reasonable, $e.g.$, $a_{4}(2040)$ and $f_{4}(2050)$ are very possible the $F-$wave $n\bar{n}$ isovector and isoscalar mesons with the masses of $1996^{+10}_{-9}$MeV and $2018\pm{11}$MeV, respectively PDG . The predicted spin-averaged mass of $1F$ is not incompatible with experiments. Our results are also overall in good agreement with the expectations from Ref. long1 . The trend that a higher excited state corresponds to a smaller $\bar{\beta}$ coincides with Ref. Godfrey ; Close ; Li . For considering the spin-spin contact hyperfine interaction, there are two $\bar{\beta}$s for the $1S$ mesons. The larger one corresponds to the $1^{1}S_{0}$ state, the smaller one the $1^{3}S_{1}$ state. As shown in Ref. long1 ; long2 , the confinement potential $V_{conf}(r)$ is determinant for the properties of higher excited states. In Ref. long1 , the masses for higher excited states with $\sigma=0.143$GeV2 and $\alpha_{s}=0$ are closer to experimental data than the results given in Ref. Isgur . Then we ignored the Coulomb interaction for $1D$, $2D$, $1F$, $1G$ and $1H$ states. In this way, $\bar{M}_{nl}$ for these states increase about 100MeV. The masses of $\eta^{\prime}(3^{1}S_{0})$, $f^{\prime}_{1}(2^{3}P_{1})$, $\eta^{\prime}_{2}(1^{1}D_{2})$ and $\eta_{2}(2^{1}D_{2})$ are usually within $1.8\sim 2.1$GeV in various quark potential models Isgur ; Ebert ; Sorace ; Vijande (see in Table 2). The predicted spin-averaged masses of $3S(s\bar{s})$, $2P(s\bar{s})$, $1D(s\bar{s})$ and $2D(n\bar{n})$ are also within this mass regions (see in Table 1). Due to the uncertainty of the potential models, absolute deviation from experimental data are usually about 100$\sim$150 MeV for the higher excited states. Comparing with these predicted masses, $X(1870)$ disfavors the $\eta^{\prime}(3^{1}S_{0})$ assignment for its low mass. But the possibilities of $f^{\prime}_{1}(2^{3}P_{1})$, $\eta^{\prime}_{2}(1^{1}D_{2})$ and $\eta_{2}(2^{1}D_{2})$ still exist. Here we don't consider the possibility of $X(1870)$ as the $\eta(3^{1}S_{0})$ state because $\eta(1760)$ looks more like a good $\eta(3^{1}S_{0})$ candidate Li5 ; Liu ; Yu . States | $\eta^{\prime}(3^{1}S_{0})$ | $f^{\prime}_{1}(2^{3}P_{1})$ | $\eta^{\prime}_{2}(1^{1}D_{2})$ | $\eta_{2}(2^{1}D_{2})$ ---|---|---|---|--- Ref. Isgur | $-$ | 2030 | 1890 | 2130† Ref. Ebert | 2085 | 2016 | 1909 | 1960 Ref. Sorace | 2099 | 1988 | 1851 | $-$ Ref. Vijande | $-$ | $-$ | 1853 | 1863 Table 2: The masses predicted for $3^{1}S_{0}$($\eta^{\prime}$), $2^{3}P_{1}$($\eta^{\prime}$), $1^{1}D_{2}$($\eta^{\prime}$) and $2^{1}D_{2}$($\eta$) in Refs. Isgur ; Ebert ; Sorace ; Vijande . Regge trajectories (RTs) is another useful tool for studying the mass spectrum of the light flavor mesons. In Ref. Regge1 , the authors fitted the RTs for all light-quark meson states listed in the PDG tables. A global description was constructed as $M^{2}=1.38(4)n+1.12(4)J-1.25(4).$ (7) Here, _n_ and _J_ mean the the radial and angular-momentum quantum number. Recently, the authors of Ref. Regge1 repeated their fits with the subset mesons of the paper Regge2 . They found a little smaller averaged slopes of $\mu^{2}=1.28(5)$GeV2 and $\beta^{2}=1.09(6)$GeV2, to be compared with $\mu^{2}=1.38(4)$GeV2 and $\beta^{2}=1.12(4)$GeV2 in the Eq.(7). Here the $\mu^{2}$ and $\beta^{2}$ are the weighted averaged slope for radial and angular-momentum RTs Regge1 ; Regge3 . Now $h_{1}(1380)$, $f_{1}(1420)$ and $\eta^{\prime}(1475)$ have been established as the $1^{1}P_{1}$, $1^{3}P_{1}$ and $2^{1}S_{0}$ $s\bar{s}$ states in PDG PDG . With the differences between the mass squared of $X(1870)$ and these states (Table 3), $X(1870)$ could be assigned for the $\eta^{\prime}(3^{1}S_{0})$ and $f^{\prime}_{1}(2^{1}P_{1})$. The mass of $X(1870)$ is too large for the $\eta^{\prime}_{2}(1^{1}D_{2})$ state in the RTs. $\eta_{2}(1645)$ has been assigned as the $1^{1}D_{2}$ $n\bar{n}$ meson PDG . Since $M^{2}(X(1870))-M^{2}(\eta_{2}(1640))=0.91^{+0.04}_{-0.03}$GeV2 which is much smaller than $1.38(4)$GeV2, $X(1870)$ looks unlike the $2^{1}D_{2}$ $n\bar{n}$ state for its low mass. However, the difference of $M^{2}(X(1870))-M^{2}(h_{1}(1170))=2.16^{+0.06}_{-0.05}$GeV2 matches the slopes $2.37(11)$GeV2 well. Then the RTs can't exclude the possibility of $X(1870)$ as the $2^{1}D_{2}$ $n\bar{n}$ state. Four possible states for _X_(1870) --- $\eta^{\prime}(3^{1}S_{0})$ | $f_{1}^{\prime}(2^{3}P_{1})$ | $\eta^{\prime}_{2}(1^{1}D_{2})$ | $\eta_{2}(2^{1}D_{2})$ $\eta^{\prime}(1475)$ | $f_{1}(1420)$ | $h_{1}(1380)$ | $\eta_{2}(1645)$ $\mu^{2}=$1.34${}^{+0.04}_{-0.03}$ | $\mu^{2}=$1.38${}^{+0.04}_{-0.03}$ | $\beta^{2}=$1.60${}^{+0.06}_{-0.06}$ | $\mu^{2}=$0.91${}^{+0.04}_{-0.03}$ Table 3: $X(1870)$ calculated in RTs for different states are shown. The masses of $\eta^{\prime}(1475)$, $f_{1}(1420)$, $h_{1}(1380)$ and $\eta_{2}(1645)$ are taken from PDG PDG . As mentioned in the Introduction, $X(1870)$ is also a good hybrid candidate since its mass overlaps the predictions given by different models. The predicted masses for $0^{+}0^{-+}$, $0^{+}1^{++}$ and $0^{+}2^{-+}$ $n\bar{n}g$ states by these models are collected in Table 4. States | $\eta_{H}(0^{+}0^{-+})$ | $f_{H}(0^{+}1^{++})$ | $\eta_{H}(0^{+}2^{-+})$ ---|---|---|--- Bag Bag1 ; Bag2 | 1.3 | heavier | 1.9 Flux tube tube1 ; tube2 | 1.7$\sim$1.9 | 1.7$\sim$1.9 | 1.7$\sim$1.9 Constituent gluon gluon | 1.8$\sim$2.2 | 1.3$\sim$1.8 | 1.8$\sim$2.2 Table 4: The masses predicted for $\eta_{H}(0^{+}0^{-+})$ $f_{H}(0^{+}1^{++})$ and $\eta_{H}(0^{+}2^{-+})$ hybrid states in Refs. Bag1 ; Bag2 ; tube1 ; tube2 ; gluon . In this section, the mass of $X(1870)$ has been studied in the GI quark potential model and the RTs framework. In the GI quark potential model, $X(1870)$ can be interpreted as the $f^{\prime}_{1}(2^{3}P_{1})$, $\eta^{\prime}_{2}(1^{1}D_{2})$ or $\eta_{2}(2^{1}D_{2})$ state with a reasonable uncertainty. In the RTs, $X(1870)$ favors the $\eta^{\prime}(3^{1}S_{0})$ and $f^{\prime}_{1}(2^{3}P_{1})$ assignments. But the $\eta_{2}(2^{1}D_{2})$ assignment can't be excluded thoroughly. $X(1870)$ is also a good hybrid state candidate. Since the masses of $X(1870)$ and $\eta_{2}(1870)$ are nearly equal, the possible assignments of $X(1870)$ also suit $\eta_{2}(1870)$. The investigations of the strong decay properties will be more helpful to distinguish the $\eta_{2}(1870)$ and $X(1870)$. ## III The strong decay ### III.1 The final mesons include the scalar mesons below 1 GeV Despite many theoretical efforts, the scalar nonet of $q\bar{q}$ mesons has never well-established. The lowest-lying scalar mesons including $\sigma(500)$ (or $f_{0}(600)$), $\kappa(800)$, $a_{0}(980)$ and $f_{0}(980)$ are difficult to be described as $q\bar{q}$ states, _e.g_., $a_{0}(980)$ is associated with nonstrange quarks in the $q\bar{q}$ scheme. If this is true, its high mass and decay properties are difficult to be understood simultaneously. So interpretations as exotic states were triggered, _i.e_., as two clusters of two quarks and two antiquarks Maiani , particular quasimolecular states molecule , and uncorrelated four quark states $qq\bar{q}\bar{q}$ tetraquark1 ; tetraquark2 ; tetraquark3 have been proposed. Though the structures of these scalar mesons below 1 GeV are still in dispute, the viewpoint that these scalar mesons can constitute a complete nonet states has been reached in the most literatures (as illustrated in Fig.2). In the following, we will denote this nonet as `` $\mathcal{S}$ '' multiplet for convenience. Figure 2: The `` $\mathcal{S}$ '' nonet below 1 GeV shown in $Y-I_{3}$ plane. Due to the unclear nature of the $\mathcal{S}$ mesons, it seems much difficult to study the decay processes when the final mesons includes a $\mathcal{S}$ member. As an approximation, $a_{0}(980)$, $\sigma(500)$ and $f_{0}(980)$ were treated as $1^{3}P_{0}$ $q\bar{q}$ mesons in Refs. Yu ; Liu1 . In Refs. Li3 ; Liu , this kind of decay channel was ignored. However, this kind of decay mode maybe predominant for some mesons. For example, the observations indicate that $f_{1}(1285)$, $\eta(1405)$ and $X(1870)$ primarily decay via the $a_{0}(980)\pi$ channel Bes6 . In what follows, we will extract some useful information about this kind of decay mode by the SU(3) flavor symmetry. We will show that $a_{0}(980)\pi$, $\sigma_{0}\eta$ and $f_{0}\eta$ are the main decay channels for the isoscalar $n\bar{n}$ and the $n\bar{n}g$ mesons when they decay primarily through `` $\mathcal{S}$ $+$ P'' mesons, where the sign ``P'' denotes a light pseudoscalar meson. This will explain why $X(1870)$ has been first observed in the $\eta\pi^{+}\pi^{-}$ channel. We noticed that the $\mathcal{S}$ nonet could be interpreted like the $q\bar{q}$ nonet in the diquark-antidiquark scenario. In Wilczek and Jaffe's terminology Jaffe ; Wilczek , the $\mathcal{S}$ mesons consist of a ``good'' diquark and a ``good'' antidiquark. When $u$, $d$ quarks forms a ``good'' diquark, it means that the two light quarks, _u_ and _d_ , could be treated as a quasiparticle in color $\bar{3}$, flavor $\bar{3}$ and the spin singlet. The ``good'' $u$, $d$ diquark is usually denoted as $[ud]$. In the diquark-antidiquark limit, the parity of a tetraquark is determined by $P=(-1)^{L_{12-34}}$ Santopinto where the $L_{12-34}$ refer to the relative angular momentum between two clusters. Thus the $\mathcal{S}$ mesons are the lightest tetraquark states in the diquark-antidiquark model with $L_{12-34}=0$. The $\mathcal{S}$ nonet in the full set of flavor representations is $\displaystyle(3\otimes 3)_{\bar{3}}\otimes(\bar{3}\otimes\bar{3})_{3}=8\oplus 1$ Because the SU(3) flavor symmetry is not exact, the two physical isoscalar mesons, $\sigma_{0}$ and $f_{0}$, are usually the mixing states of the $|8\rangle_{I=0}$ and $|1\rangle_{I=0}$ states Maiani , $\displaystyle\begin{aligned} \left(\begin{array}[]{c}f_{0}\\\ \sigma_{0}\\\ \end{array}\right)=\left(\begin{array}[]{cc}\cos\vartheta&\sin\vartheta\\\ -\sin\vartheta&\cos\vartheta\\\ \end{array}\right)\left(\begin{array}[]{c}|8\rangle_{I=0}\\\ |1\rangle_{I=0}\\\ \end{array}\right)\end{aligned}$ (8) When the mixing angle $\vartheta$ equals the so-called ideal mixing angle, $i.e.$, $\vartheta$ = 54.74∘, the composition of the $\sigma(500)$ and $f_{0}(980)$ are $\displaystyle\begin{aligned} \left(\begin{array}[]{c}f_{0}\\\ \sigma_{0}\\\ \end{array}\right)=\left(\begin{array}[]{c}|\frac{1}{\sqrt{2}}([su][\bar{s}\bar{u}]+[sd][\bar{s}\bar{d}])\rangle\\\ |[ud][\bar{u}\bar{d}]\rangle\\\ \end{array}\right).\end{aligned}$ It seems that the deviation from the ideal mixing angle of the $\sigma(500)$ and $f_{0}(980)$ is small Maiani . In the following calculations, we will treat them in the ideal mixing scheme. Under the SU(3) flavor assumption, all the members of the octet have the same basic coupling constant in one type of reaction, while the singlet member have a different coupling constant. Particularly, when a quarkonium decays into $\mathcal{S}$ and $q\bar{q}$ mesons, there are five independent coupling constants, $i.e.$, $g_{A88}$, $g_{A81}$, $g_{A18}$, $g_{B88}$ and $g_{B11}$, corresponding to five different channels $\begin{cases}\mid 8\rangle_{q\bar{q}}\rightarrow\mid 8\rangle_{\mathcal{S}}\otimes\mid 8\rangle_{q\bar{q}}:\hskip 28.45274ptg_{A88}\\\ \mid 8\rangle_{q\bar{q}}\rightarrow\mid 8\rangle_{\mathcal{S}}\otimes\mid 1\rangle_{q\bar{q}}:\hskip 28.45274ptg_{A81}\\\ \mid 8\rangle_{q\bar{q}}\rightarrow\mid 1\rangle_{\mathcal{S}}\otimes\mid 8\rangle_{q\bar{q}}:\hskip 28.45274ptg_{A18}\\\ \mid 1\rangle_{q\bar{q}}\rightarrow\mid 8\rangle_{\mathcal{S}}\otimes\mid 8\rangle_{q\bar{q}}:\hskip 28.45274ptg_{B88}\\\ \mid 1\rangle_{q\bar{q}}\rightarrow\mid 1\rangle_{\mathcal{S}}\otimes\mid 1\rangle_{q\bar{q}}:\hskip 28.45274ptg_{B11}\\\ \end{cases}$ In order to determine the relations between these coupling constants, we shall assume the process that the $q\bar{q}$ or $q\bar{q}g$ meson decays into a $\mathcal{S}$ and another $q\bar{q}$ mesons obeys the OZI (Okubo-Zweig-Iizuka) rule, $i.e.$, the two quarks in the mother meson go into two daughter mesons, respectively. Therefore, there are four forbidden processes: $X(\frac{1}{\sqrt{2}}(u\bar{u}-d\bar{d}))\nrightarrow a_{0}+s\bar{s}$, $X(\frac{1}{\sqrt{2}}(u\bar{u}+d\bar{d}))\nrightarrow\sigma_{0}+s\bar{s}$, $X(s\bar{s})\nrightarrow f_{0}+\frac{1}{\sqrt{2}}(u\bar{u}+d\bar{d})$ and $X(s\bar{s})\nrightarrow\sigma_{0}+s\bar{s}$. With the help of the SU(3) Clebsch$-$Gordon coefficients Coefficients , the ratios between the five coupling constants are extracted as $\displaystyle g_{A81}:g_{A18}:g_{B88}:g_{B11}:g_{A88}$ $\displaystyle=\sqrt{2}:-\sqrt{\frac{2}{5}}(\sqrt{5}+1):-\frac{2}{\sqrt{5}}(\sqrt{5}+1):-\sqrt{\frac{2}{5}}(\sqrt{5}+1):1$ (9) $\displaystyle\approx 1.41:-2.05:-2.89:-2.05:1.00$ Figure 3: The coefficients $\zeta^{2}$ of the isoscalar meson $\xi$ versus the mixing angle $\theta$. Figure 4: The coefficients $\zeta^{2}$ of the isoscalar meson $\xi^{\prime}$ versus the mixing angle $\theta$. It is well known that the physical states, $\eta(548)$ and $\eta^{\prime}(958)$ are the mixture of the SU(3) flavor octet and singlet. They can be written in terms of a mixing angle, $\theta_{p}$, as follows $\displaystyle\begin{aligned} \left(\begin{array}[]{c}\eta(548)\\\ \eta^{\prime}(958)\\\ \end{array}\right)=\left(\begin{array}[]{cc}\cos\theta_{p}&-\sin\theta_{p}\\\ \sin\theta_{p}&\cos\theta_{p}\\\ \end{array}\right)\left(\begin{array}[]{c}|8\rangle_{I=0}\\\ |1\rangle_{I=0}\\\ \end{array}\right)\end{aligned}$ (10) The mixing angle $\theta_{p}$ has been measured by various means. However, there is still uncertainty for $\theta_{p}$. An excellent fit to the tensor meson decay widths was performed under the SU(3) symmetry, and $\theta_{p}\simeq-17^{o}$ was obtained Amsler1 . In our calculation, $\theta_{p}$ is taken as $-17^{o}$. The excited mixtures of $n\bar{n}$ and $s\bar{s}$ are denoted as $\displaystyle\begin{aligned} \left(\begin{array}[]{c}\xi\\\ \xi^{\prime}\\\ \end{array}\right)=\left(\begin{array}[]{cc}\cos\theta&\sin\theta\\\ -\sin\theta&\cos\theta\\\ \end{array}\right)\left(\begin{array}[]{c}|1\rangle_{I=0}\\\ |8\rangle_{I=0}\\\ \end{array}\right)\end{aligned}$ (11) In this scheme, the ideal mixing occurs with the choice of $\theta=35.3^{o}$. When $\xi$ and $\xi^{\prime}$ decay into a $\mathcal{S}$ and pseudoscalar mesons, the relations of decay amplitudes are governed by the coefficients $\zeta^{2}$ which are model-independent in the limitation of SU(3)f symmetry. With the coupling constants in hand, the coefficients $\zeta^{2}$ of $\xi$ and $\xi^{\prime}$ versus the mixing angle $\theta$ are shown in the Fig.3 and Fig.4. When $\xi$ and $\xi^{\prime}$ occurs in the ideal mixing, the values of $\zeta^{2}$ are presented in Table 5. In the factorization framework, the decay difference of a hybrid and excited $q\bar{q}$ mesons comes from the spatial contraction Burns . Then the coefficients $\zeta^{2}$ for hybrid states are same as these of $q\bar{q}$ quarkoniums. Decay | $a_{0}\pi$ | $\sigma\eta$ | $\kappa K$ | $f_{0}\eta$ | $\sigma\eta^{\prime}$ ---|---|---|---|---|--- channels $\zeta^{2}[n\bar{n}(g)]$ | 2.17 | 3.56 | 0.47 | 1.07 | 0.44 $\zeta^{2}[s\bar{s}(g)]$ | 0.00 | 0.00 | 0.72 | 1.08 | 0.00 Table 5: .The coefficients $\zeta^{2}$ of $\xi$ and $\xi^{\prime}$ in the ideal mixing. Here the mixing of $\eta(548)$ and $\eta^{\prime}(958)$ has been considered. It is sure that the $\zeta^{2}$ are zero for the processes, $\xi^{\prime}\rightarrow a_{0}\pi$, $\xi^{\prime}\rightarrow\sigma\eta$ and $\xi^{\prime}\rightarrow\sigma\eta^{\prime}$, since they are OZI-forbidden. $\zeta^{2}$ of $\xi^{\prime}\rightarrow f_{0}\eta^{\prime}$ hasn't been considered in Table 5 since $X(1870)$ lies below the threshold of $f_{0}\eta^{\prime}$. As illustrated in the Fig.3 and Fig.4, the primary decay channels of a $s\bar{s}$ or $s\bar{s}g$ predominant excitation are $f_{0}\eta$ and $\kappa K$. If the deviation of $\theta$ from the ideal mixing angle is not large, $X(1870)$ should be a $n\bar{n}$ or $n\bar{n}g$ predominant state since $X(1870)$ primarily decay via the $a_{0}(980)\pi$ channel. At present, only the ground $0^{-+}$ and the $0^{++}$ isoscalar mesons deviate from the ideal mixing distinctly. In addition, if the $X(1870)$ is produced via a diagram of Fig.1 [B], its should also be $n\bar{n}$ or $n\bar{n}g$ predominant state. Of course, the SU(3)f symmetry breaking will effect the ratios of these channels listed in Table 5, because the three-momentum of the these products are different. However, the coefficients $\zeta^{2}$ have presented the valuable information for these specific decay channels. When $\eta_{2}(1870)$ occupies the $2^{1}D_{2}$ $n\bar{n}$ state, $X(1870)$ becomes a good $n\bar{n}g$ candidate. In the following subsection, we will explore the two- body strong decays of $X(1870)$ within the ${}^{3}P_{0}$ model and the flux- tube model. Of course, the analysis of $X(1870)$ also suit $\eta_{2}(1870)$ for their nearly equal masses. ### III.2 The strong decays of $\eta_{2}(1870)$ and $X(1870)$ In Ref. Li3 , the ${}^{3}P_{0}$ model Micu ; Oliver1 ; Oliver2 and the flux- tube model Kokoski were employed to study the two-body strong decays of $\eta_{2}(1870)$. There, the pair production (creation) strength $\gamma$ and the simple harmonic oscillator (SHO) wave function scale parameter, $\beta$s, were taken as constants. However, a series of studies indicate that the strength $\gamma$ may depend on both the flavor and the relative momentum of the produced quarks Ackleh ; Bonnaz . $\gamma$ may also depend on the reduced mass of quark-antiquark pair of the decaying meson Segovia . Firstly, the relations of the ${}^{3}P_{0}$ model to ``microscopic'' QCD decay mechanisms have been studied in Ref. Ackleh . There, the authors found that the constant $\gamma$ corresponds approximately to the dimensionless combination, $\sigma/m_{q}\beta$, where $m_{q}$ is the mass of produced quark, $\beta$ means the meson wave function scale and $\sigma$ is the string tension. Secondly, the momentum dependent manner of $\gamma$ has been studied in Ref. Bonnaz . It was found that $\gamma$ is dependent on the relative momentum of the created $q\bar{q}$ pair, and the form of $\gamma(k)=A+B\exp(-Ck^{2})$ with $k=|\vec{k}_{3}-\vec{k}_{4}|$ was suggested. Thirdly, J.Segovia, _et al_., proposed that $\gamma$ is a function of the reduced mass of quark-antiquark pair of the decaying meson Segovia . Based on the first and third points above, $\gamma$ will depend on the flavors of both the decaying meson and produced pairs. In our calculations, we will treat the $\gamma$ as a free parameter and fix it by the well-measured partial decay widths. In addition, the amplitudes given by the ${}^{3}P_{0}$ model and the flux-tube model often contain the nodal-type Gaussian form factors which can lead to a dynamic suppression for some channels. Then the values of $\beta$ are important to exact the decay width for the higher excited mesons in these two strong decay models. In the following, the two-body strong decay of $X(1870)$ will be investigated in the ${}^{3}P_{0}$ model where the strength $\gamma$ will be extracted by fitting the experimental data. The SHO wave function scale parameter, $\beta$s, will be borrowed from the Table 1 which are extracted by the GI relativized potential model. We will also check the possibility of $X(1870)$ as a possible hybrid state by the flux-tube model. In the non relativistic limit, the transition operator $\mathcal{\hat{T}}$ of the ${}^{3}P_{0}$ model is depicted as $\displaystyle\mathcal{\hat{T}}$ $\displaystyle=$ $\displaystyle-3\gamma\sum_{\text{\emph{m}}}\langle 1,m;1,-m|0,0\rangle\iint d^{3}\vec{k}_{3}d^{3}\vec{k}_{4}\delta^{3}(\vec{k}_{3}+\vec{k}_{4})\mathcal{Y}_{1}^{m}(\frac{\vec{k}_{3}-\vec{k}_{4}}{2})\omega_{0}^{(3,4)}\varphi^{(3,4)}_{0}\chi^{(3,4)}_{1,-m}d^{\dagger}_{3i}(\vec{k}_{3})d^{\dagger}_{4j}(\vec{k}_{4})$ (12) Where the $\omega_{0}^{(3,4)}$ and $\varphi^{(3,4)}_{0}$ are the color and flavor wave functions of the $q_{3}\bar{q}_{4}$ pair created from vacuum. Thus, $\omega_{0}^{(3,4)}=(R\bar{R}+G\bar{G}+B\bar{B})/\sqrt{3}$, $\varphi^{(3,4)}_{0}=(u\bar{u}+d\bar{d}+s\bar{s})/\sqrt{3}$ are color and flavor singlets. The pair is also assumed to carry the quantum numbers of $0^{++}$, suggesting that they are in a ${}^{3}P_{0}$ state. Then $\chi^{(3,4)}_{1,-m}$ represents the pair production in a spin triplet state. The solid harmonic polynomial $\mathcal{Y}_{1}^{m}(\vec{k})\equiv|\vec{k}|\mathcal{Y}_{1}^{m}(\theta_{k},\phi_{k})$ reflects the momentum-space distribution of the $q_{3}\bar{q}_{4}$. The helicity amplitude $\mathcal{M}^{M_{J_{A}},M_{J_{B}},M_{J_{C}}}(p)$ of $A\rightarrow B+C$ is given by $\displaystyle\langle BC|\mathcal{\hat{T}}|A\rangle=\delta^{3}(\vec{P}_{A}-\vec{P}_{B}-\vec{P}_{C})\mathcal{M}^{M_{J_{A}},M_{J_{B}},M_{J_{C}}}(p),$ (13) where _p_ represents the momentum of the outgoing meson in the rest frame of the meson _A_. When the mock state Hayne is adopted to describe the spatial wave function of a meson, the helicity amplitude $\mathcal{M}^{M_{J_{A}},M_{J_{B}},M_{J_{C}}}(p)$ can be constructed in the $L-S$ basis easily Oliver1 ; Oliver2 . The mock state for _A_ meson is $\displaystyle|A({n_{A}}$ $\displaystyle{}^{2S_{A}+1}L_{A}^{J_{A}M_{J_{A}}}(\vec{P}_{A})\rangle$ (14) $\displaystyle\equiv$ $\displaystyle\sqrt{2E_{A}}\sum_{{M_{L_{A}}}{M_{S_{A}}}}\langle L_{A}M_{L_{A}}S_{A}M_{S_{A}}|J_{A}M_{J_{A}}\rangle\omega_{A}^{12}\phi_{A}^{12}\chi_{S_{A}M_{S_{A}}}^{12}$ $\displaystyle\times\int d\vec{P}_{A}\psi_{n_{A}}^{L_{A}M_{L_{A}}}(\vec{k}_{1},\vec{k}_{2})|q_{1}(\vec{k}_{1})q_{2}(\vec{k}_{2})\rangle.$ To obtain the analytical amplitudes, the SHO wave functions are usually employed for $\psi_{n_{A}}^{L_{A}M_{L_{A}}}(\vec{k}_{1},\vec{k}_{2})$. For comparison with experiments, one obtains the partial decay width $\mathcal{M}^{JL}(p)$ via the Jacob-Wick formula Jacob $\displaystyle\mathcal{M}_{LS}(p)=$ $\displaystyle\frac{\sqrt{2L+1}}{2J_{A}+1}\sum_{\text{$M_{J_{B}}$,$M_{J_{C}}$}}\langle L0JM_{J_{A}}|J_{A}M_{J_{A}}\rangle$ (15) $\displaystyle\times\langle J_{B},M_{J_{B}}J_{C},M_{J_{C}}|JM_{J_{A}}\rangle\mathcal{M}^{M_{J_{A}},M_{J_{B}},M_{J_{C}}}(p).$ Finally, the decay width $\Gamma(A\rightarrow BC)$ is derived analytically in terms of the partial wave amplitudes $\displaystyle\Gamma(A\rightarrow BC)=2\pi\frac{E_{B}E_{C}}{M_{A}}p\sum_{LS}|\mathcal{M}_{LS}(p)|^{2}.$ (16) More technical details of the ${}^{3}P_{0}$ model can be found in Ref. Oliver2 . The inherent uncertainties of the ${}^{3}P_{0}$ decay model itself have been discussed in the Refs. Bonnaz ; model1 ; model2 . The dimensionless parameter $\gamma$ will be fixed by the 8 well-measured partial decay widths which are listed in Table6. The $\mathcal{M}_{LS}$ amplitudes of these decay channels are presented explicitly in the Appendix A. Decay channels | p (GeV) | $\gamma(10^{3})$ | $\gamma$Bonnaz | Decay channels | p (GeV) | $\gamma(10^{3})$ | $\gamma$Bonnaz ---|---|---|---|---|---|---|--- $\rho\rightarrow\pi\pi$ | 0.362 | 17.8 | 9.18 | $f^{\prime}_{1}\rightarrow K^{*}\bar{K}$ | 0.158 | 4.9 | - $a_{2}\rightarrow\eta\pi$ | 0.535 | 11.5 | - | $f_{2}\rightarrow K\bar{K}$ | 0.401 | 2.9 | 6.11 $f_{2}\rightarrow\pi\pi$ | 0.622 | 7.8 | 7.13 | $a_{2}\rightarrow K\bar{K}$ | 0.434 | 2.3 | 3.91 $\rho_{3}\rightarrow\pi\pi$ | 0.833 | 4.2 | - | $f^{\prime}_{2}\rightarrow K\bar{K}$ | 0.579 | 2.0 | 5.66 Table 6: . Values of $\gamma$ in different channels and comparison with the results given in Ref.Bonnaz . Here, $\rho(770)$, $a_{2}(1320)$, $f^{\prime}_{1}(1420)$, $f_{2}(1270)$, $f^{\prime}_{2}(1525)$ and $\rho_{3}(1690)$ have been studied. As mentioned before, $\gamma$ may depend on the flavors of both the decaying meson and produced pairs. Then we divide the 8 decay channels into two groups: one is $n\bar{n}\rightarrow n\bar{n}+n\bar{n}$, the other includes $s\bar{s}\rightarrow n\bar{s}+s\bar{n}$ and $n\bar{n}\rightarrow n\bar{s}+s\bar{n}$. The values of $\gamma$ here are a little different from these given in Ref.Bonnaz where an _AL_ 1 potential (for details of _AL_ 1 potential, see Ref.Roberts ) was selected to determine the meson wave functions. Of course, the meson wave function given by different potentials will influence the values of $\gamma$. It is clear in Table 6 that $\gamma$ decrease with _p_ increase. In addition, our calculation indicates that $\gamma$ depend on flavors of both the decaying meson and the produced quark pairs. For example, values of $\gamma$ fixed by $a_{2}\rightarrow K\bar{K}$ and $f^{\prime}_{2}\rightarrow K\bar{K}$ are roughly equal. In the following calculations, we assume that the values of $\gamma$ corresponding to the processes of $s\bar{s}\rightarrow n\bar{s}+s\bar{n}$ and $n\bar{n}\rightarrow n\bar{s}+s\bar{n}$ are determined by one function. Similarly, we take the function, $\gamma(p)=A+B\exp(-Cp^{2})$, for the creation vertex. _The function of the creation vertex here is different with the one used in the RefBonnaz _. With the four decay channels listed in fifth column of Table 6, we fix the function as $\gamma(p)=1.8+4\exp(-10p^{2})$. For the processes of $n\bar{n}\rightarrow n\bar{n}+n\bar{n}$ (the first column of Table 6), we fix the creation vertex function as $\gamma(p)=3.0+25\exp(-4p^{2})$. The dependence of $\gamma$ on the momentum _p_ are plotted in the Fig. 5. Obviously the functions can describe the dependence of $\gamma$ and _p_ well. The functions of creation vertex given here need further test. Figure 5: The functions of $\gamma(p)=A+B\exp(-Cp^{2})$ in different decay processes. The symbols of red ``⚫'' and black ``◼'' denote $\gamma$ values determined by the experimental data. Since we neglected the mass splitting within the isospin multiplet, the partial width into the specific charge channel should be multiplied by the flavor multiplicity factor $\mathcal{F}$ (Table 7). This $\mathcal{F}$ factor also incorporates the statistical factor 1/2 if the final state mesons _B_ and _C_ are identical (as illustrated in Fig.6). More details of $\mathcal{F}$ can be found in the Appendix A of Ref.Barnes . Figure 6: Two topological diagrams for a $q\bar{q}$ meson decay in the ${}^{3}P_{0}$ decay model. We refer to the left one as _d_ 1 where the produced quark goes into meson _C_ , and _d_ 2 where it goes into _B_. Decay | $\mathcal{I}_{flavor}(d1)$ | $\mathcal{I}_{flavor}(d1)$ | $\mathcal{F}$ ---|---|---|--- channels $\rho\rightarrow\pi\pi$ | $+1/\sqrt{2}$ | $-1/\sqrt{2}$ | 1 $f_{2}\rightarrow\pi\pi$ | $-1/\sqrt{2}$ | $-1/\sqrt{2}$ | 3/2 $f_{2}\rightarrow KK$ | 0 | $-1/\sqrt{2}$ | 2 $f^{\prime}_{1}\rightarrow K^{*}K$ | +1 | 0 | 4 $f^{\prime}_{2}\rightarrow KK$ | +1 | 0 | 2 $a_{2}\rightarrow KK$ | 0 | -1 | 1 $a_{2}\rightarrow\eta\pi$ | $+1/2$ | $+1/2$ | 1 $\eta_{2}\rightarrow\omega\omega$ | $-1/\sqrt{2}$ | $-1/\sqrt{2}$ | 1/2 $\eta_{2}\rightarrow a_{i}\pi$ | $-1/\sqrt{2}$ | $-1/\sqrt{2}$ | 3 $\eta_{2}\rightarrow f_{i}\eta$ | $+1/2$ | $+1/2$ | 1 Table 7: The second and third columns for the flavor weight factors corresponding to two topological diagrams shown in Fig.6. The last column for the the flavor multiplicity factor $\mathcal{F}$. Here, $|\eta\rangle=(|n\bar{n}\rangle-|s\bar{s}\rangle)/\sqrt{2}$ and $|\eta^{\prime}\rangle=(|n\bar{n}\rangle+|s\bar{s}\rangle)/\sqrt{2}$ have been taken for simplicity. Decay | $\eta_{2}(2^{1}D_{2})$ | | | $\eta_{H}(0^{+}0^{-+})$ | $f_{H}(0^{+}1^{++})$ | $\eta_{H}(0^{+}2^{-+})$ ---|---|---|---|---|---|--- channels | Our | Ref. Li3 | Our | Ref. Swanson | Our | Ref. Swanson | Our | Ref. Swanson $K^{*}K$ | 0.5 | 17.7 | 19.3 | 12.6 | 10 5 | 4.9 | 24.1 18.0 | 3.2 | 2.0 1.0 $\rho\rho$ | 12.9 | 52.2 | 56.8 | $\times$ | $\times$ $\times$ | $\times$ | $\times$ $\times$ | $\times$ | $\times$ $\times$ $\omega\omega$ | 4.2 | 16.9 | 18.4 | $\times$ | $\times$ $\times$ | $\times$ | $\times$ $\times$ | $\times$ | $\times$ $\times$ $K^{*}K^{*}$ | 0.2 | 2.1 | 2.3 | $\times$ | $\times$ $\times$ | $\times$ | $\times$ $\times$ | $\times$ | $\times$ $\times$ $a_{0}(1450)\pi$ | 16.0 | 2.4 | 2.6 | 56.3 | 70 175 | 0.5 | $\times$ 6 | 0.5 | 0.0 0.6 $a_{1}(1260)\pi$ | 0.0 | 15.2 | 16.6 | $\times$ | $\times$ $\times$ | 57.3 | 14 232 | $\times$ | 0.3 $\times$ $f_{1}(1280)\eta$ | 0.0 | 0.0 | 0.0 | $\times$ | $\times$ $\times$ | 2.5 | $-$ $-$ | $\times$ | 0.0 $\times$ $a_{2}(1320)\pi$ | 54.2 | 102.5 | 111.6 | 8.8 | 1 16 | 35.1 | 5.0 179.4 | 26.7 | 25.1 67 $f_{2}(1275)\eta$ | 15.1 | 17.5 | 19.0 | 0.0 | $\times$ $\times$ | 1.0 | $-$ $-$ | 4.6 | 0.0 0.0 $\sum\Gamma_{i}$ | 103.3 | 226.5 | 246.7 | 77.7 | 81 196 | 101.3 | 43.1 435.4 | 35.0 | 27.4 68.6 Expt (MeV) | 225$\pm$14 PDG | | | | | 57$\pm$12${}^{+19}_{-4}$ Bes6 Table 8: The partial widths of $X(1870)$ and compared with results from Refs. Li3 ; Swanson . The symbol ``$\times$'' indicates that the decay modes are forbidden and ``$-$'' denotes that the decay channels can be ignored. Here, we collected the results given by the ${}^{3}P_{0}$ model from Ref. Li3 in the left column, the right column by the flux-tube model. In Ref. Swanson , the masses are taken as 1.8 GeV for the $0^{-+}$, $1^{++}$ and $2^{-+}$ for the hybrid states. The partial decay widths of $X(1870)$ are shown in Table 8 except the channels of $\mathcal{S}$ $+$ $P$ mesons. $a_{2}(1320)\pi$ and $f_{2}(1275)\eta$ are large channels for the $\eta_{2}(2^{1}D_{2})$ $n\bar{n}$ state in our work and the Ref. Li3 , which are consistent with the experimental observations of the $\eta_{2}(1870)$. The partial widths of $K^{*}K$, $\rho\rho$ and $\omega\omega$ are narrower in our work than the expectations from Ref. Li3 . $\eta_{2}(1870)$ has been observed by the BES Collaboration in the radiative decay channel of $J/\psi\rightarrow\gamma\eta\pi\pi$ Li3 . However, no apparent $\eta_{2}(1870)$ signals were detected in the channels of $J/\psi\rightarrow\gamma\rho\rho$ Mark1 and$J/\psi\rightarrow\gamma\omega\omega$ Mark2 ; Bes4 . Therefore, improved experimental measurements of the radiative $J/\psi$ decay channels are needed for the $\eta_{2}(1870)$ in future. Figure 7: The diagram for the `` $\mathcal{S}$ $+$ P'' channels through a virtual intermediate $1^{3}P_{0}$ $q\bar{q}$ meson. Nextly, we shall evaluate the partial widths of ``$\mathcal{S}+P$'' channels which have not been listed in the table8. _The scheme is proposed as following._ As illustrated in the Fig.7, we assume $X(1870)$ decay into $a_{0}(980)\pi$ via a virtual intermediate $1^{3}P_{0}$ $q\bar{q}$ meson . We notice the $\eta(1295)$ also dominantly decay into the $\eta\pi\pi$ Bes6 . Its three-body decay can occur via three intermediate processes: $\eta(1295)\rightarrow\eta\sigma/a_{0}(980)\pi/\eta(\pi\pi)_{S-wave}\rightarrow\eta\pi\pi$PDG . With the ratio $\Gamma(a_{0}(980)\pi)/\Gamma(\eta\pi\pi)=0.65\pm 0.10$ and $\Gamma(\eta(1295))=55\pm 5$MeV, the partial width of $\eta(1295)$ decaying into $a_{0}(980)\pi$ is estimated no more than 45MeV. By the ${}^{3}P_{0}$ model, the ratio of $\frac{\Gamma(X(1870)\rightarrow a_{0}(1^{3}P_{0})\pi)}{\Gamma(\eta(1295)\rightarrow a_{0}(1^{3}P_{0})\pi)}$ can be reached easily. If the uncertainty of the coupling vertex of $\varepsilon(1^{3}P_{0}(q\bar{q})\rightarrow a_{0}(980))$ (see in Fig.7) is assumed to be canceled in the ratio of $\frac{\Gamma(X(1870)\rightarrow a_{0}(1^{3}P_{0})\pi)\cdot\varepsilon(1^{3}P_{0}(q\bar{q})\rightarrow a_{0}(980))}{\Gamma(\eta(1295)\rightarrow a_{0}(1^{3}P_{0})\pi)\cdot\varepsilon(1^{3}P_{0}(q\bar{q})\rightarrow a_{0}(980))}$, the value of $\frac{\Gamma(X(1870)\rightarrow a_{0}(980)\pi)}{\Gamma(\eta(1295)\rightarrow a_{0}(980)\pi)}$ can be extracted roughly. Although the assumption above seems a little rough, we just need to evaluate magnitudes of these decay channels. $\eta(1295)$ is proposed to be the first radial excited state of $\eta(550)$. Then the total decay widths of $\Gamma(X(1870)\rightarrow\mathcal{S}+P)$ is evaluated no more than 12.6MeV and $\Gamma(X(1870)\rightarrow a_{0}(980)\pi)\leq 3.8$MeV. The BESIII Collaboration claimed that $X(1870)$ primarily decay via $a_{0}(980)\pi$ Bes6 . The small partial width of $\Gamma(X(1870)\rightarrow a_{0}(980)\pi)$ also indicates that the $X(1870)$ can't be interpreted as the $2^{1}D_{2}$ $q\bar{q}$ state. In addition, our results do not support $X(1870)$ as the $\eta_{2}(2^{1}D_{2})$ $n\bar{n}$ state since its observed decay width is much smaller than the theoretical estimate. The $a_{2}(1320)\pi$ is the largest decay channel in our numerical results and in Ref. Li3 for the $\eta_{2}(2^{1}D_{2})$ $n\bar{n}$ state (Table 8). If the partial width of $a_{0}(980)\pi$ channel is as large as $a_{2}(1320)\pi$, the predicted width of $X(1870)$ will be much larger than the observed value. We adopt the flux tube model to check the possibility of $X(1870)$ as a hybrid meson. The partial widths are also listed in Table 8 for the comparison. Details of the flux model are collected in the Appendix B. Two groups of the partial widths predicted in the Ref. Swanson are quoted in the Table 8. The left column was given by the flux tube decay model of Isgur, Kokoski, and Paton (IKP) with the ``standard parameters'' IKP . The right column was by the developed flux tube decay model of Swanson-Szczepaniak (SS). In Ref. Swanson , the masses are taken as 1.8 GeV for the $0^{-+}$, $1^{++}$ and $2^{-+}$ for the hybrid states. For a hybrid meson, $X(1870)$ seems most possible to be the $\eta_{H}(0^{+}2^{-+})$ state because the total widths exclude the channels of $\mathcal{S}+P$ are much narrow in our work and in Ref.Swanson . It is consistent with the narrow width of $X(1870)$. As shown in Table 8, $X(1870)$ is impossible to be the $\eta_{H}(0^{+}0^{-+})$ hybrid state. The predicted width in both our work and in Ref.Swanson are broader. In addition, $\eta\pi$ is a visible channel for both $a_{0}(1450)$. A week signal was found in the region of 1200$\sim$1400MeV in the analysis of $\eta\pi^{\pm}$ (Fig.2(b) of Ref.Bes6 ), which contradicts the large $a_{0}(1450)\pi$ channel of the $\eta_{H}(0^{+}0^{-+})$ state. We can exclude the possibility of $X(1870)$ as the $\eta_{H}(0^{+}0^{-+})$ hybrid state preliminarily. The assignment for $X(1870)$ as the $f_{H}(0^{+}1^{++})$ hybrid seems impossible since the theoretical width of $a_{1}(1260)\pi$ is rather broad in our results and in the IKP model. If the partial width of $a_{0}(980)\pi$ channel is as large as $a_{1}(1260)\pi$, the total widths of $X(1870)$ will be much broader than the experimental value. But the width given by the SS flux tube decay model for the $f_{H}(0^{+}1^{++})$ hybrid is much small. So the possibility of $X(1870)$ as a $f_{H}(0^{+}1^{++})$ hybrid can not be excluded. We suggest to detect the decay channel of $a_{1}(1260)\pi$ because this channel is forbidden for the $\eta_{H}(0^{+}2^{-+})$ state in the IKP flux tube decay model and very small in the SS flux tube decay model (see Table8). Then the channel of $a_{1}(1260)\pi$ can discriminate the state $f_{H}(0^{+}1^{++})$ and $\eta_{H}(0^{+}2^{-+})$ for $X(1870)$. Finally, if $\eta_{2}(1870)$ is the $\eta_{2}(2^{1}D_{2})$ state, its decay width is predicted about 100MeV which is much smaller than the experiments. However, the difference can be explained by the remedy of mixing effect. If $X(1870)$ and $\eta_{2}(1870)$ have the same quantum numbers, $0^{+}2^{-+}$, they should mix with each other with a visible mixing angle. Then the interference enhancement will enlarge the width of $\eta_{2}(1870)$. The broad decay width of $\eta_{2}(1870)$ could be explained naturally. On the other hand, $\eta_{2}(1870)$ has been observed in the channel of $a_{0}(980)\pi$. However, this channel seems much small if $\eta_{2}(1870)$ is a pure $2^{1}D_{2}$ $n\bar{n}$ meson. The mixing effect will also enlarge this partial width. Here, we don't plan to discuss the mixing of $X(1870)$ and $\eta_{2}(1870)$ further for the complex mechanism. ## IV DISCUSSIONS AND CONCLUSIONS A isoscalar resonant structure of $X(1870)$ was observed by BESIII in the channels $J/\psi\rightarrow\omega X(1870)\rightarrow\omega\eta\pi^{+}\pi^{-}$ recently. Although the mass of $X(1870)$ is consistent with the $\eta_{2}(1870)$, the production, decay width and decay properties are much different. In this paper, the mass spectrum and strong decays of the $X(1870)$ and $\eta_{2}(1870)$ are analyzed. Firstly, the mass spectrum are studied in the GI potential model and the RTs framework. In the GI potential model, both $X(1870)$ and $\eta_{2}(1870)$ could be the $\eta^{\prime}_{2}(1^{1}D_{2})$, $f^{\prime}_{1}(2^{3}P_{1})$ and $\eta_{2}(2^{1}D_{2})$ states. In RTs, the possible assignments are the $\eta(3^{1}S_{0})$, $f^{\prime}_{1}(2^{3}P_{1})$ and $\eta_{2}(2^{1}D_{2})$ states. For the mass spectrum, they are also good hybrid candidates since the masses overlap the predictions given by different models (see Table4). Secondly, the processes of a $n\bar{n}$ quarkonium or a $n\bar{n}g$ hybrid meson decaying into the ``$\mathcal{S}+P$'' mesons are studied under the SU(3)f symmetry and the diquark-antidiquark description of the $\mathcal{S}$ mesons. We assumed the processes obey the OZI rule. We find that the channels of $a_{0}\pi$, $\sigma\eta$ and $f_{0}\eta$ are the dominant when a $n\bar{n}$ quarkonium or a $n\bar{n}g$ hybrid meson decays primarily through this kind of processes. This result can explain why $X(1870)$ has been first observed in the $\eta\pi\pi$ channel. Thirdly, the two-body strong decay of $X(1870)$ is computed in the ${}^{3}P_{0}$ model. As the $\eta_{2}(2^{1}D_{2})$ quarkonium, the predicted width of $X(1870)$ looks much larger than the observations. The broad resonance, $\eta_{2}(1870)$, can be a natural candidate for the $2^{1}D_{2}$ $n\bar{n}$ meson. There, we fix the creation strength, $\gamma$, in two kinds of processes: ①.$n\bar{n}\rightarrow n\bar{n}+n\bar{n}$; ②. $n\bar{n}\rightarrow n\bar{s}+s\bar{n}$ and $s\bar{s}\rightarrow n\bar{s}+s\bar{n}$. The functions of creation vertex are determined as $\gamma(p)=3.0+25\exp(-4p^{2})$ and $\gamma(p)=1.8+4\exp(-10p^{2})$ respectively. Meanwhile, the SHO wave function scale, $\beta$s, are obtained by the GI potential model. We have evaluated the magnitude of the partial widths of ``$\mathcal{S}+P$'' channels by the ratio, $\frac{\Gamma(X(1870)\rightarrow a_{0}(980)\pi)}{\Gamma(\eta(1295)\rightarrow a_{0}(980)\pi)}$, under a rather crude assumption that $\eta(1295)/X(1870)\rightarrow a_{0}(980)\pi$ through a virtual intermediate $1^{3}P_{0}$ $q\bar{q}$ meson (see Fig.7). Then the uncertainties of the coupling vertex for $1^{3}P_{0}(q\bar{q})\rightarrow a_{0}(980)$ are assumed to be canceled in the ratio. The total widths of ``$\mathcal{S}+P$'' are evaluated no more than 12.6MeV and $\Gamma(X(1870)\rightarrow a_{0}(980)\pi)\leq 3.8$MeV. Since $X(1870)$ primarily decay via $a_{0}(980)\pi$, it also indicated that the $X(1870)$ can't be interpreted as the $2^{1}D_{2}$ $n\bar{n}$ state. We also study the $X(1870)$ as a hybrid state in the flux tube model. Our results agree well with most of predictions given by Ref. Swanson . $X(1870)$ looks most like the $\eta_{H}(0^{+}2^{-+})$ state for the narrow predicted width, which is consistent with the experiments. But we can't exclude the possibility of $0^{+}1^{++}$. A precise measurement of $a_{1}(1260)\pi$ is suggested to pin down this uncertainty. Finally, some important arguments and useful suggestions are given as follows. ➀.If $\eta_{2}(1870)$ is the $\eta_{2}(2^{1}D_{2})$ state, the broad $\pi_{2}(1880)$ should be isovector partner of $\eta_{2}(1870)$. $\pi_{2}(1880)$ has been interpreted as the conventional $2^{1}D_{2}$ $q\bar{q}$ meson in Ref. Li4 . In deed, the decay channel of $\omega\rho$ is large enough for $\pi_{2}(1880)$ E852 . This observation disfavors the $\pi_{2}(1880)$ as a $2^{-+}$ hybrid candidate for the selection rule that a hybrid meson decaying into two S-wave mesons is strongly suppressed page . ➁.If $X(1870)$ is a hybrid meson, we suggest to search its isospin partner in the decay channels of $J/\psi\rightarrow\rho f_{0}(980)\pi$ and $J/\psi\rightarrow\rho b_{1}(1235)\pi$, which are accessible at BESIII, Belle and BABAR Collaborations. The decay channel of $b_{1}(1235)\pi$ is forbidden for the $\pi_{2}(2^{1}D_{2})$ quarkonium due to the ``spin selection rule'' Burns ; flux1 . We also suggest to search the $\eta_{2}(1870)$ in the decay channels of $J/\psi\rightarrow\gamma\rho\rho$ and $J/\psi\rightarrow\gamma\omega\omega$ since these channels are forbidden for the hybrid production. ###### Acknowledgements. Bing Chen thanks Jun-Long Tian and D.V. Bugg for very helpful discussions. This work is supported by the Key Program of the He'nan Educational Committee of China (No.13A140014), the National Natural Science Foundation of China under grant No. 11305003, No. 11075102, No. 11005003, and U1204115, the Innovation Program of Shanghai Municipal Education Commission under grant No. 13ZZ066, and the Program of He'nan Technology Department (No. 11147201). ## Appendix A The expressions of amplitudes We have omitted a exponential factor in following decay amplitudes $\mathcal{M}_{LS}$ for compactness, $\exp(-\frac{2\lambda\mu-\nu^{2}}{4\mu}p^{2}).$ (17) where we defined $\displaystyle\mu=\frac{1}{2}(\frac{1}{\beta_{A}^{2}}+\frac{1}{\beta_{B}^{2}}+\frac{1}{\beta_{C}^{2}});\hskip 3.41418pt\nu=\frac{m_{1}}{(m+m_{1})\beta_{B}^{2}}+\frac{m_{2}}{(m+m_{2})\beta_{C}^{2}}.$ and $\displaystyle\lambda=\frac{m_{1}^{2}}{(m+m_{1})^{2}\beta_{B}^{2}}+\frac{m_{2}^{2}}{(m+m_{2})^{2}\beta_{C}^{2}};\hskip 10.243pt\eta=\frac{m_{1}}{m+m_{1}}.$ For $1^{3}S_{1}\rightarrow 1^{1}S_{0}+1^{1}S_{0}$, $\mathcal{M}_{10}=\frac{2\mu-\nu}{8\sqrt{3}\pi^{5/4}\mu^{5/2}(\beta_{A}\beta_{B}\beta_{C})^{3/2}}p$ (18) For $1^{3}P_{2}\rightarrow 1^{1}S_{0}+1^{1}S_{0}$, $\mathcal{M}_{20}=\frac{2\mu\beta_{B}^{3/2}-(p^{2}\nu^{2}+2\mu(1-p^{2}\nu))\beta_{C}^{3/2}}{8\sqrt{15}\pi^{5/4}\mu^{7/2}\beta_{A}^{5/2}\beta_{B}^{3/2}\beta_{C}^{3}}$ (19) For $1^{3}P_{2}\rightarrow 1^{3}S_{1}+1^{1}S_{0}$, $\mathcal{M}_{21}=-\sqrt{3/2}\mathcal{M}_{20}$. For $1^{3}P_{1}\rightarrow 1^{3}S_{1}+1^{1}S_{0}$, $\mathcal{M}_{01}=\frac{4\mu\beta_{B}^{3/2}+(p^{2}\nu^{2}+2\mu(1-p^{2}\nu))\beta_{C}^{3/2}}{24\pi^{5/4}\mu^{7/2}\beta_{A}^{5/2}\beta_{B}^{3/2}\beta_{C}^{3}}$ (20) $\mathcal{M}_{21}=\frac{(2\mu-\nu)\nu}{24\sqrt{2}\pi^{5/4}\mu^{7/2}\beta_{A}^{5/2}\beta_{B}^{3/2}\beta_{C}^{3}}p^{2}$ (21) For $1^{3}D_{3}\rightarrow 1^{1}S_{0}+1^{1}S_{0}$, $\mathcal{M}_{30}=-\frac{2\mu-\nu}{16\sqrt{35}\pi^{5/4}\mu^{9/2}\beta_{A}^{7/2}\beta_{B}^{3/2}\beta_{C}^{3/2}}\nu^{2}p^{3}$ (22) For $2^{1}S_{0}\rightarrow 1^{3}P_{0}+1^{1}S_{0}$, $\displaystyle\mathcal{M}_{11}=$ $\displaystyle\frac{1}{96\pi^{5/4}\mu^{11/2}\beta_{A}^{7/2}\beta_{B}^{5/2}\beta_{C}^{3/2}}$ (23) $\displaystyle\times(-24p^{2}\eta\mu^{3}-p^{4}\nu^{4}+2p^{2}\mu\nu^{2}(-10+p^{2}(1+\eta)\nu)-4\mu^{2}(15-5p^{2}(1+\eta)\nu+p^{4}\eta\nu^{2})$ $\displaystyle+6\mu^{2}(4p^{2}\eta\mu^{2}+p^{2}\nu^{2}-2\mu(-3+p^{2}(1+\eta)\nu))\beta_{A}^{2})$ For $2^{1}D_{2}\rightarrow 1^{3}S_{1}+1^{1}S_{0}$, $\mathcal{M}_{11}=\frac{-p^{4}\nu^{4}+2p^{2}\nu^{2}\mu(\nu p^{2}-14)+28\mu^{2}(\nu p^{2}-5)+14\mu^{2}(p^{2}\nu^{2}-2(\nu p^{2}-5)\mu\beta_{A}^{2})}{160\sqrt{21}\pi^{5/4}\mu^{13/2}\beta_{A}^{11/2}\beta_{B}^{3/2}\beta_{C}^{3/2}}\nu p$ (24) $\mathcal{M}_{31}=\frac{-28\mu^{2}+\nu^{3}p^{2}-2\mu\nu(\nu p^{2}-9)+14(2\mu-\nu)\mu^{2}\beta_{A}^{2}}{160\sqrt{14}\pi^{5/4}\mu^{13/2}\beta_{A}^{11/2}\beta_{B}^{3/2}\beta_{C}^{3/2}}\nu^{2}p^{3}$ (25) For $2^{1}D_{2}\rightarrow 1^{3}S_{1}+1^{3}S_{1}$, $\mathcal{M}^{\prime}_{11}=\sqrt{2}\mathcal{M}_{11}$ and $\mathcal{M}^{\prime}_{31}=\sqrt{2}\mathcal{M}_{31}$. For $2^{1}D_{2}\rightarrow 1^{3}P_{0}+1^{1}S_{0}$ $\displaystyle\mathcal{M}_{20}=$ $\displaystyle-\frac{1}{192\sqrt{35}\pi^{5/4}\mu^{15/2}\beta_{A}^{11/2}\beta_{B}^{5/2}\beta_{C}^{3/2}}$ (26) $\displaystyle\times(p^{4}\nu^{5}-2p^{2}\mu\nu^{3}(-18+p^{2}(1+\eta)\nu)+4\mu^{2}\nu(63-11p^{2}(1+\eta)\nu+p^{4}\eta\nu^{2})+56\mu^{3}(-2+\eta(-2+p^{2}\nu))$ $\displaystyle-14\mu^{2}(p^{2}\nu^{3}-2\mu\nu(-7+p^{2}(1+\eta)\nu)+4\mu^{2}(-2+\eta(-2+p^{2}\nu)))\beta_{A}^{2})\nu p^{2}.$ For $2^{1}D_{2}\rightarrow 1^{3}P_{1}+1^{1}S_{0}$ $\displaystyle\mathcal{M}_{21}=-\frac{p^{2}\nu^{2}-14\mu^{2}\beta^{2}_{A}+14\mu}{16\sqrt{35}\pi^{5/4}\mu^{11/2}\beta_{A}^{11/2}\beta_{B}^{5/2}\beta_{C}^{3/2}}(\eta-1)\nu p^{2}.$ (27) For $2^{1}D_{2}\rightarrow 1^{3}P_{2}+1^{1}S_{0}$ $\displaystyle\mathcal{M}_{02}=$ $\displaystyle\frac{1}{480\sqrt{14}\pi^{5/4}\mu^{15/2}\beta_{A}^{11/2}\beta_{B}^{5/2}\beta_{C}^{3/2}}$ (28) $\displaystyle\times(p^{6}\mu^{6}-2p^{4}\mu\nu^{4}(p^{2}(1+\eta)\nu-21)+4p^{2}\mu^{2}\nu^{2}(105-14p^{2}(1+\eta)\nu+p^{4}\eta\nu^{2})+56\mu^{3}(15-5p^{2}(1+\eta)\nu$ $\displaystyle+p^{4}\eta\nu^{2})-14\mu^{2}(p^{4}\nu^{4}-2p^{2}\mu\nu^{2}(-10+p^{2}(1+\eta)\nu)+4\mu^{2}(15-5p^{2}(1+\eta)\nu+p^{4}\eta\nu^{2}))\beta_{A}^{2}).$ $\displaystyle\mathcal{M}_{22}=$ $\displaystyle-\frac{1}{672\sqrt{5}\pi^{5/4}\mu^{15/2}\beta_{A}^{15/2}\beta_{B}^{5/2}\beta_{C}^{3/2}}$ (29) $\displaystyle\times(p^{4}\nu^{5}-2p^{2}\mu\nu^{3}(-18+p^{2}(1+\eta)\nu)+2\mu^{2}\nu(126-25p^{2}(1+\eta)\nu+2p^{4}\eta\nu^{2})+28\mu^{3}(-7+\eta(-7+2p^{2}\nu))$ $\displaystyle-14(\mu^{2})(p^{2}\nu^{3}-2\mu\nu(-7+p^{2}(1+\eta)\nu)+2\mu^{2}(-7+\eta(-7+2p^{2}\nu)))\beta_{A}^{2})\nu p^{2}.$ $\displaystyle\mathcal{M}_{42}=$ $\displaystyle-\frac{1}{1120\pi^{5/4}\mu^{15/2}\beta_{A}^{11/2}\beta_{B}^{5/2}\beta_{C}^{3/2}}$ (30) $\displaystyle\times(\nu(p^{2}\nu^{3}-36\mu^{2}+2\mu\nu(11-p^{2}\nu))+2\eta\mu(28\mu^{2}-p^{2}\nu^{3}+2\mu\nu(p^{2}\nu-9))-14\mu^{2}(2\mu-\nu)(2\eta\mu-\nu)\beta_{A}^{2})\nu^{2}p^{4}.$ For $2^{1}D_{2}\rightarrow 2^{3}P_{1}+1^{1}S_{0}$ $\displaystyle\mathcal{M}_{21}=$ $\displaystyle\frac{1}{160\sqrt{14}\pi^{5/4}\mu^{15/2}\beta_{A}^{11/2}\beta_{B}^{9/2}\beta_{C}^{3/2}}$ (31) $\displaystyle\times(-112\eta\mu^{3}+252\mu^{2}\nu+56p^{2}\eta^{2}\mu^{3}\nu-80p^{2}\eta\mu^{2}\nu^{2}+36p^{2}\mu\nu^{3}+4p^{4}\eta^{2}\mu^{2}\nu^{3}-4p^{4}\eta\mu\nu^{4}+p^{4}\nu^{5}$ $\displaystyle-10\mu^{2}\nu(14\mu+p^{2}\nu^{2})\beta_{B}^{2}-14\mu^{2}\beta_{A}^{2}(14\mu\nu+4p^{2}\eta^{2}\mu^{2}\nu+p^{2}\nu^{3}-4\eta\mu(2\mu+p^{2}\nu^{2})-10\mu^{2}\nu\beta_{B}^{2}))(\eta-1)p^{2}.$ $m_{1}$ and $m_{2}$ are the masses of quarks in the decaying meson _A_. _m_ is the mass of the created quark from the vacuum. For calculating the decay widths, the masses of quarks are taken as: $m_{u}$ = $m_{d}$ = 0.220 GeV, $m_{s}=$ 0.428 GeV, which are as same as these in the Section II. The above amplitudes, $\mathcal{M}_{LS}$, can be reduced further in the approximation of $m_{1}=m_{2}=m$ and $\beta_{A}=\beta_{B}=\beta_{C}=\beta$. The reduced $\mathcal{M}_{LS}$ are consistent with these given by Ref. Barnes except for an unimportant factor, $-2^{9/2}$, since this factor can be absorbed into the coefficient $\gamma$. ## Appendix B Hybrid decay in the flux tube model The flux tube model was motivated by the strong coupling expansion of the lattice QCD. In this model, decay occurs when the flux-tube breaks at any point along its length, with a $q\bar{q}$ pair production in a relative $J^{PC}=0^{++}$ state. It is similar to the ${}^{3}P_{0}$ decay model but with an essential difference. The flux tube model extend the nonrelativistic constituent quark model to include gluonic degrees of freedom in a very simple and intuitive way, where the gluonic field is regarded as tubes of color flux. Then it can be extended to the hybrid research. When the hybrid mesons are assumed to be narrow, and the threshold effects aren't taken into account, the partial decay width $\Gamma_{LS}(H\rightarrow BC)$ is given by the flux model as flux1 $\Gamma_{LS}(H\rightarrow BC)=\frac{p}{(2J_{A}+1)\pi}\frac{\tilde{M}_{B}\tilde{M}_{C}}{\tilde{M}_{A}}|\mathcal{M}_{LS}(H\rightarrow BC)|^{2}$ (32) where $\tilde{M}_{A}$, $\tilde{M}_{B}$, $\tilde{M}_{C}$ are the ``mock-meson'' masses of A, B, C Kokoski . When a hybrid meson decay into _P_ -wave and pseudoscalar mesons, the partial wave amplitude $\mathcal{M}_{L}(H\rightarrow BC)$ (with $S=S_{B}$) is given as the following form $\mathcal{M}_{L}(H\rightarrow BC)=\langle\phi_{B}\phi_{C}|\phi_{A}\phi_{0}\rangle(\frac{a\tilde{c}}{9\sqrt{3}}\frac{1}{2}A^{0}_{00}\sqrt{\frac{fb}{\pi}})\frac{\kappa\sqrt{b}}{(1+fb/(2\tilde{\beta}^{2}))^{2}}\sqrt{\frac{2\pi}{3\Gamma(3/2+\delta)}}\frac{\beta_{A}^{3/2+\delta}}{\tilde{\beta}}\tilde{\mathcal{M}}_{L}(H\rightarrow BC)$ (33) The flavor matrix element $\langle\phi_{B}\phi_{C}|\phi_{A}\phi_{0}\rangle$ have been discussed before. $\tilde{\mathcal{M}}_{L}(H\rightarrow BC)$ are listed in Table 9 for the states of $\eta_{H}(0^{+}0^{-+})$, $f_{H}(0^{+}1^{++})$ and $\eta_{H}(0^{+}2^{-+})$. _B_ | _H_($0^{+}0^{-+}$) | _H_($0^{+}1^{++}$) | _H_($0^{+}2^{-+}$) ---|---|---|--- $0^{++}$ | $+\sqrt{2}\mathcal{M}_{S}/3$ | $-\sqrt{2}\mathcal{M}_{P_{2}}/\sqrt{3}$ | $+\mathcal{M}_{D}/3$ $1^{++}$ | $-$ | $-\mathcal{M}_{P_{1}}/\sqrt{2}$ | - $2^{++}$ | $+\mathcal{M}_{D}/3$ | $-\mathcal{M}_{P_{4}}/\sqrt{30}$ | $-\sqrt{5}\mathcal{M}_{S}/\sqrt{18}$ | | $+\mathcal{M}_{F}/\sqrt{5}$ | $-\sqrt{7}\mathcal{M}_{D}/3$ Table 9: Partial wave amplitudes $\tilde{\mathcal{M}}_{L}(H\rightarrow BC)$ for an initial hybrid _H_ decaying into a _P_ -wave and pseudoscalar mesons. Here the $\mathcal{M}_{S}$, $\mathcal{M}_{D}$, $\mathcal{M}_{P_{i}}$ and $\mathcal{M}_{F}$ are defined as $\mathcal{M}_{S}=-(3\tilde{h}_{0}-\tilde{g}_{1}+4\tilde{h}_{2})$, $\mathcal{M}_{D}=(\tilde{g}_{1}+5\tilde{h}_{2})$, $\mathcal{M}_{P_{1}}=-i(2\tilde{g}_{0}+3\tilde{h}_{1}-\tilde{g}_{2})$, $\mathcal{M}_{P_{2}}=-i(\tilde{g}_{0}+\tilde{g}_{2})$, $\mathcal{M}_{P_{4}}=-i(10\tilde{g}_{0}+9\tilde{h}_{1}+\tilde{g}_{2})$ and $\mathcal{M}_{F}=-3i(\tilde{g}_{2}+\tilde{h}_{3})$. The analytical expressions of $\tilde{g}_{i}$ and $\tilde{h}_{i}$ are given as $\tilde{g}_{n}=2^{3+\delta}\frac{M^{n}m}{(M+m)^{n+1}}(2\beta_{A}^{2}+\tilde{\beta}^{2})^{-\frac{n+\delta+3}{2}}\Gamma(\frac{n+\delta+3}{2})_{1}F_{1}[\frac{n+\delta+3}{2},n+1,-(\frac{M}{M+m})^{2}\frac{p^{2}}{2\beta_{A}^{2}+\tilde{\beta}^{2}}]p^{n+1}$ (34) $\tilde{h}_{n}=2^{3+\delta}\tilde{\beta}^{2}(\frac{M}{M+m})^{n}(2\beta_{A}^{2}+\tilde{\beta}^{2})^{-\frac{n+\delta+4}{2}}\Gamma(\frac{n+\delta+4}{2})_{1}F_{1}[\frac{n+\delta+4}{2},n+1,-(\frac{M}{M+m})^{2}\frac{p^{2}}{2\beta_{A}^{2}+\tilde{\beta}^{2}}]p^{n}$ (35) where ${}_{1}F_{1}[\cdots]$ are the confluent hypergeometric functions. Here we don't take account of the decay channels of $H\rightarrow 2S+1S$ because they are forbidden by the conservation laws, or the ``spin selection rule'', or the phase space, _e.g._ , the decay channel of $\pi(1300)+\pi$ is forbidden for the $f_{H}(0^{+}1^{++})$ state by the ``spin selection rule''. 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arxiv-papers
2013-04-23T07:41:27
2024-09-04T02:49:44.688419
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "Chen Bing, Ke-Wei Wei, Ailin Zhang", "submitter": "Chen Bing", "url": "https://arxiv.org/abs/1304.6190" }
1304.6317
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-070 LHCb-PAPER-2013-022 June 4, 2013 Measurement of the branching fractions of the decays $B^{0}_{s}\rightarrow\kern 4.14793pt\overline{\kern-4.14793ptD}{}^{0}K^{-}\pi^{+}$ and $B^{0}\rightarrow\kern 4.14793pt\overline{\kern-4.14793ptD}{}^{0}K^{+}\pi^{-}$ The LHCb collaboration†††Authors are listed on the following pages. The first observation of the decay $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$ is reported. The analysis is based on a data sample, corresponding to an integrated luminosity of $1.0\mbox{\,fb}^{-1}$ of $pp$ collisions, collected with the LHCb detector. The branching fraction relative to that of the topologically similar decay $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ is measured to be $\frac{{\cal B}\left(B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}\right)}{{\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)}=1.18\pm 0.05\,\text{(stat.)}\pm 0.12\,\text{(syst.)}\,.$ In addition, the relative branching fraction of the decay $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}$ is measured to be $\frac{{\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}\right)}{{\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)}=0.106\pm 0.007\,\text{(stat.)}\pm 0.008\,\text{(syst.)}\,.$ Submitted to Phys. Rev. D. © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen56, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 34, M. Artuso58, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso59, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani44, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk58, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia58, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. 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Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57University of Maryland, College Park, MD, United States 58Syracuse University, Syracuse, NY, United States 59Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 60Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ## 1 Introduction The precise measurement of the angle $\gamma$ of the CKM Unitarity Triangle [1, 2] is one of the primary objectives in contemporary flavour physics. Measurements from the experiments BaBar, Belle and LHCb are based mainly on studies of $B^{+}\rightarrow DK^{+}$ decays, where the notation $D$ implies that the neutral $D$ meson is an admixture of $D^{0}$ and $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ states. Each experiment currently gives constraints on $\gamma$ with a precision of $\sim 15^{\circ}$ [3, 4, 5]. Significant reduction of this uncertainty is well motivated and the use of additional channels to further improve the precision is of great interest. The decay $B^{0}\rightarrow DK^{+}\pi^{-}$, including the resonant contribution from $B^{0}\rightarrow DK^{*0}$, is one of the modes with the potential to make significant impact on the overall determination of $\gamma$ [6]. A first measurement of $C\\!P$ observables in $B^{0}\rightarrow DK^{*0}$ decays has been reported by LHCb [7]. This decay is particularly sensitive to $\gamma$ owing to the interference of $b\rightarrow c\bar{u}s$ and $b\rightarrow u\bar{c}s$ amplitudes, which for this decay are of similar magnitude. It has been noted that an amplitude analysis of $B^{0}\rightarrow DK^{+}\pi^{-}$ decays can further improve the sensitivity and also resolve the ambiguities in the result [8, 9]. The decays $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}$ and $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$ can be mediated by the decay diagrams shown in Fig. 1. Both $B^{0}$ and $B^{0}_{s}$ decays are flavour-specific, with the charge of the kaon identifying the flavour of the decaying $B$ meson, though the charges are opposite in the two cases. In addition to these colour-allowed tree-level diagrams, colour-suppressed tree- level diagrams contribute to $B^{0}_{(s)}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K\pi$ decays ($K\pi$ denotes the sum over both charge combinations). Both colour-allowed and colour-suppressed diagrams contribute to the CKM-suppressed $B^{0}_{(s)}\rightarrow D^{0}K\pi$ modes. Figure 1: Decay diagrams for (a) favoured $B^{0}\rightarrow\kern 1.79997pt\overline{\kern-1.79997ptD}{}^{0}K^{+}\pi^{-}$ decays and (b) favoured $B^{0}_{s}\rightarrow\kern 1.79997pt\overline{\kern-1.79997ptD}{}^{0}K^{-}\pi^{+}$ decays. A first study of the decay $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}$ has been performed by BaBar [10], giving a branching fraction measurement ${\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}\right)=(88\pm 15\pm 9)\times 10^{-6}$, where the contribution from the $B^{0}\rightarrow D^{*-}K^{+}$ decay is excluded. There is no previous branching fraction measurement for the inclusive three-body process $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$, although that of the resonant contribution $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}$ has been measured by LHCb [11]. Since the $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$ and the related $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{*0}K^{-}\pi^{+}$ decays form potentially serious backgrounds to the $B^{0}$ $\rightarrow$ $D$ $K^{+}$ $\pi^{-}$ channel, measurements of their properties will be necessary to reduce systematic uncertainties in the determination of $\gamma$. In this paper the results of a study of neutral $B$ meson decays to $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K\pi$, including inspections of their Dalitz plot distributions, are presented. The $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}$ and $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$ final states are combined, and the inclusion of charge conjugate processes is implied throughout the paper. In order to reduce systematic uncertainties in the measurements, the topologically similar decay $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$, which has been studied in detail previously [12, 13], is used as a normalisation channel. In this paper, $D\pi\pi$ denotes the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ final state and $DK\pi$ denotes the sum over the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}$ and $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$ final states. The neutral $D$ meson is reconstructed using the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\rightarrow K^{+}\pi^{-}$ final state; therefore the signal yields measured include small contributions from $D^{0}\rightarrow K^{+}\pi^{-}$ decays, but such contributions are expected to be small and are neglected hereafter. The analysis uses a data sample, corresponding to an integrated luminosity of $1.0\mbox{\,fb}^{-1}$ of $pp$ collisions at a centre-of-mass energy of $7\mathrm{\,Te\kern-1.00006ptV}$, collected with the LHCb detector during 2011. ## 2 Detector, trigger and selection The LHCb detector [14] is a single-arm forward spectrometer covering the pseudorapidity range $2<\eta<5$, designed for the study of particles containing $b$ or $c$ quarks. The detector includes a high precision tracking system consisting of a silicon-strip vertex detector surrounding the $pp$ interaction region, a large-area silicon-strip detector located upstream of a dipole magnet with a bending power of about $4{\rm\,Tm}$, and three stations of silicon-strip detectors and straw drift tubes placed downstream. The combined tracking system provides a momentum measurement with relative uncertainty that varies from 0.4 % at 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6 % at 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, and impact parameter (IP) resolution of 20$\,\upmu\rm m$ for tracks with high transverse momentum ($p_{\rm T}$). Charged hadrons are identified using two ring-imaging Cherenkov (RICH) detectors [15]. Photon, electron and hadron candidates are identified by a calorimeter system consisting of scintillating-pad and preshower detectors, an electromagnetic calorimeter and a hadronic calorimeter. Muons are identified by a system composed of alternating layers of iron and multiwire proportional chambers. The LHCb trigger [16] consists of a hardware stage, based on information from the calorimeter and muon systems, followed by a software stage that applies a full event reconstruction. In this analysis, signal candidates are accepted if one of the final state particles created a cluster in the hadronic calorimeter with sufficient transverse energy to fire the hardware trigger. Events that are triggered at the hardware level by another particle in the event are also retained. The software trigger requires a two-, three- or four-track secondary vertex with a high sum of the transverse momentum, $p_{\rm T}$, of the tracks and a significant displacement from the primary $pp$ interaction vertices (PVs). At least one track should have $\mbox{$p_{\rm T}$}>1.7{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ and impact parameter $\chi^{2}$, $\chi^{2}_{\rm IP}$, with respect to the primary interaction greater than 16. The $\chi^{2}_{\rm IP}$ is the difference between the $\chi^{2}$ of the PV reconstruction with and without the considered track. A multivariate algorithm [17] is used for the identification of secondary vertices consistent with the decay of a $b$ hadron. Candidates that satisfy the software trigger selection and are consistent with the decay chain $B^{0}_{(s)}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{\pm}\pi^{\mp}$, $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\rightarrow K^{+}\pi^{-}$ are selected, with requirements similar to those in the LHCb study of the decay $B^{0}_{(s)}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}K^{-}$ [18]. The $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ candidate invariant mass is required to satisfy $1844<m_{K\pi}<1884{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. Tracks are required to be consistent with either the kaon or pion hypothesis, as appropriate, based on particle identification (PID) information primarily from the RICH detectors [15]. All other selection criteria were tuned on the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ channel. The large yield available for the $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ normalisation sample allows the selection to be based on data, though the efficiencies are determined using simulated events. In the simulation, $pp$ collisions are generated using Pythia 6.4 [19] with a specific LHCb configuration [20]. Decays of hadronic particles are described by EvtGen [21] in which final state radiation is generated using Photos [22]. The interaction of the generated particles with the detector and its response are implemented using the Geant4 toolkit [23, *Agostinelli:2002hh] as described in Ref. [25]. Loose selection requirements are applied to obtain a visible signal peak in the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ normalisation channel. The selection includes criteria on the quality of the tracks forming the signal candidate, their $p$, $p_{\rm T}$ and $\chi^{2}_{\rm IP}$. Requirements are also placed on the corresponding variables for candidate composite particles ($\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$, $B^{0}_{(s)}$) together with restrictions on the consistency of the decay fit ($\chi^{2}_{\rm vertex}$), the flight distance significance ($\chi^{2}_{\rm flight}$), and the cosine of the angle between the momentum vector and the line joining the PV under consideration to the $B^{0}_{(s)}$ vertex ($\cos\theta_{\rm dir}$) [11]. A boosted decision tree (BDT) [26] that identifies $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\rightarrow K^{+}\pi^{-}$ candidates is used to suppress backgrounds from $b$-hadron decays to final states that do not contain charmed particles and backgrounds where the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ does not decay to the $K^{+}\pi^{-}$ final state. This “$D^{0}$ BDT” [27, 28] is trained using a large high-purity sample obtained from $B^{+}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}$ decays. The BDT takes advantage of the kinematic similarity of all $b$-hadron decays and avoids using any topological information from the $B^{0}_{(s)}$ decay. Properties of the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ candidate and its daughter tracks, containing kinematic, track quality, vertex and PID information, are used to train the BDT. Further discrimination between signal and background categories is achieved by calculating weights, using the sPlot technique [29], for the remaining $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ candidates. The weights are based on a simplified fit to the $B$ candidate invariant mass distribution from the $D\pi\pi$ data sample. The weights are used to train a neural network [30] to maximise the separation between the categories. A total of 10 variables are used in the network. They include the $p_{\rm T}$, $\chi^{2}_{\rm IP}$, $\chi^{2}_{\rm vertex}$, $\chi^{2}_{\rm flight}$ and $\cos\theta_{\rm dir}$ of the $B^{0}_{(s)}$ candidate, the output of the $D^{0}$ BDT and the $\chi^{2}_{\rm IP}$ of the two pion tracks that originate from the $B^{0}_{(s)}$ vertex. The $p_{\rm T}$ asymmetry and track multiplicity in a cone with half-angle of 1.5 units in the plane of pseudorapidity and azimuthal angle (measured in radians) [31] around the $B^{0}_{(s)}$ candidate flight direction are also used. The input quantities to the neural network only depend weakly on the kinematics of the $B^{0}_{(s)}$ decay. A requirement on the network output is imposed that reduces the combinatorial background by an order of magnitude while retaining about 70 % of the signal. To improve the $B^{0}_{(s)}$ candidate invariant mass resolution, the four- momenta of the tracks from the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ candidate are adjusted [32] so that their combined invariant mass matches the world average value [33]. An additional $B^{0}_{(s)}$ mass constraint is applied in the calculation of the Dalitz plot coordinates, $m^{2}(DK)$ and $m^{2}(D\pi)$, which are used in the determination of event-by-event efficiencies. The coordinates are calculated twice: once each with a $B^{0}$ and a $B^{0}_{s}$ mass constraint. A small fraction ($\sim 1\,\%$ within the fitted mass range) of candidates with invariant masses far from the $B^{0}_{(s)}$ peak fail one or both of these mass-constrained fits, and are removed from the analysis. To remove the large background from $B^{0}\rightarrow D^{*-}\pi^{+}$ decays, candidates in both samples are rejected if the mass difference $m_{D\pi}$–$m_{D}$ (for either pion charge in the combinations $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ and $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K\pi$) lies within $\pm 2.5{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ of the nominal $D^{*-}$–$\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ mass difference [33]. Candidates in the $DK\pi$ sample are also rejected if the mass difference $m_{DK}$–$m_{D}$ calculated under the pion mass hypothesis satisfies the same criterion. A potential background contribution from $B^{0}_{s}\rightarrow D^{\mp}K^{\pm}$ decays is removed by requiring that the pion from the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ candidate together with the kaon and the pion do not form an invariant mass in the range $1850$–$1885{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. Further $DK\pi$ candidates are rejected by requiring that the kaon from the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ candidate together with the kaon and the pion do not form an invariant mass in the range $1955$–$1975{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, which removes potential background from $B^{0}_{s}\rightarrow D^{\mp}_{s}\pi^{\pm}$ decays. A muon veto is applied to all four final state tracks to remove potential background from $B^{0}_{(s)}\rightarrow{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}K^{*0}$ decays and $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}$ candidates are required to travel at least $1\rm\,mm$ from the $B^{0}_{(s)}$ decay vertex to remove charmless backgrounds that survive the $D^{0}$ BDT requirement. Candidates are retained for further analysis if they have an invariant mass in the range $5150$–$5600{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ for $D\pi\pi$ or $5200$–$5600{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ for $DK\pi$. After all selection requirements are applied, fewer than 1 % of events with at least one candidate also contain a second candidate. Such multiple candidates are retained and treated in the same manner as other candidates; the associated systematic uncertainty is negligible. ## 3 Determination of signal yields The signal yields are obtained from unbinned maximum likelihood fits to the invariant mass distributions. In addition to signal contributions and combinatorial background, candidates may be formed from misidentified or partially reconstructed $b$-hadron decays. Contributions from partially reconstructed decays are reduced by the lower bounds on the invariant mass regions used in the fits. Sources of misidentified backgrounds are investigated using simulation. Most potential sources are found to have broad invariant mass distributions, and are absorbed in the combinatorial background shapes used in the fits described below. Backgrounds from $\kern 1.00006pt\overline{\kern-1.00006pt\mathchar 28931\relax}^{0}_{b}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\overline{}p\pi^{+}$ [34] and $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ decays may, however, give contributions with distinctive shapes in the mass distributions of $D\pi\pi$ and $DK\pi$ candidates, respectively, and are therefore explicitly modelled in the fits. The $D\pi\pi$ fit includes a double Gaussian shape to describe the signal, where the two Gaussian functions share a common mean, together with an exponential component for partially reconstructed background, and a probability density function (PDF) for $\kern 1.00006pt\overline{\kern-1.00006pt\mathchar 28931\relax}^{0}_{b}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\overline{}p\pi^{+}$ decays. This PDF is modelled using a smoothed non-parametric function obtained from simulated data, reweighted so that the $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}$ invariant mass distribution matches that observed in data. The shape of the combinatorial background is essentially linear, but is multiplied by a function that accounts for the fact that candidates with high invariant masses are more likely to fail the $B^{0}_{(s)}$ mass constrained fit. There are ten free parameters in the $D\pi\pi$ fit: the double Gaussian peak position, the widths of the two Gaussian shapes and the relative normalisation of the two Gaussian functions, the linear slope of the combinatorial background, the exponential shape parameter of the partially reconstructed background, and the yields of the four categories. The result of the fit to the $D\pi\pi$ candidates is shown in Fig. 2(a) and yields $8558\pm 134$ $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ decays. Figure 2: Fits to the $B^{0}_{(s)}$ candidate invariant mass distributions for the (a) $D\pi\pi$ and (b) $DK\pi$ samples. Data points are shown in black, the full fitted PDFs as solid blue lines and the components as detailed in the legends. The $DK\pi$ fit includes a second double Gaussian component to account for the presence of both $B^{0}$ and $B^{0}_{s}$ decays. The peaking background PDF for $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ decays is modelled using a smoothed non-parametric function derived from simulation, reweighted in the same way as described for $\kern 1.00006pt\overline{\kern-1.00006pt\mathchar 28931\relax}^{0}_{b}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\overline{}p\pi^{+}$ decays above. The dominant partially reconstructed backgrounds in the $DK\pi$ fit are from $B^{0}_{s}$ decays and these extend into the $B^{0}$ signal region. Instead of an exponential component, a background PDF for $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{*0}K^{-}\pi^{+}$ decays is included, modelled using a smoothed non-parametric function obtained from simulation. Studies using simulated data show that this function can account for all resonant contributions to the $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{*0}K^{-}\pi^{+}$ final state. The function describing the combinatorial background has the same form as for the $D\pi\pi$ fit. The $DK\pi$ fit has eight free parameters; the parameters of the double Gaussian functions are constrained to be identical for the $B^{0}$ and $B^{0}_{s}$ signals, with an offset in their mean values fixed to the known $B^{0}$–$B^{0}_{s}$ mass difference [33]. The relative width of the broader to the narrower Gaussian component and the relative normalisation of the two Gaussian functions are constrained within their uncertainties to the values obtained in simulation. The result of the fit is shown in Fig. 2(b) and yields $815\pm 55$ $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}$ and $2391\pm 81$ $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$ decays. All background yields in both fits are consistent with their expectations within uncertainties, based on measured or predicted production rates and branching fractions and background rejection factors determined from simulations. ## 4 Calculation of branching fraction ratios The ratios of branching fractions are obtained after applying event-by-event efficiencies as a function of the Dalitz plot position. The branching fraction for the $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}$ decay is determined as $R_{B^{0}}\equiv\frac{{\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}\right)}{{\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)}=\frac{N^{\rm corr}(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-})}{N^{\rm corr}(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-})}\,,$ (1) and the branching fraction of the $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$ mode is determined as $R_{B^{0}_{s}}\equiv\frac{{\cal B}\left(B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}\right)}{{\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)}=\left(\frac{f_{s}}{f_{d}}\right)^{-1}\frac{N^{\rm corr}(B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+})}{N^{\rm corr}(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-})}\,,$ (2) where the efficiency corrected yield is $N^{\rm corr}=\sum_{i}W_{i}/\epsilon^{\rm tot}_{i}$. Here the index $i$ runs over all candidates in the fit range, $W_{i}$ is the signal weight for candidate $i$, determined using the procedure described in Ref. [29], from the fits shown in Fig. 2 and $\epsilon^{\rm tot}_{i}$ is the efficiency for candidate $i$ as a function of its Dalitz plot position. The ratio of fragmentation fractions is $f_{s}/f_{d}=0.256\pm 0.020$ [35]. The statistical uncertainty on the branching fraction ratio incorporates the effects of the shape parameters that are allowed to vary in the fit and the dilution due to event weighting. Most potential systematic effects cancel in the ratio. The PID efficiency is measured using a control sample of $D^{*-}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{-},\,\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\rightarrow K^{+}\pi^{-}$ decays to obtain background-subtracted efficiency tables for kaons and pions as a function of their $p$ and $p_{\rm T}$ [36, 15]. The kinematic properties of the particles in signal decays are obtained from simulation in which events are uniformly distributed across the phase space, allowing the PID efficiency for each event to be obtained from the tables, while taking into account the correlation between the $p$ and $p_{\rm T}$ values of the two tracks. The other contributions to the efficiency (detector acceptance, selection criteria and trigger effects) are determined from phase space simulation, and validated using data. All are found to be approximately constant across the Dalitz plane, apart from some modulations seen near the kinematic boundaries and, for the $DK\pi$ channels, a variation caused by different PID requirements on the pion and the kaon. The efficiency for each mode, averaged across the Dalitz plot, is given in Table 1 together with the contributions from geometrical acceptance, trigger and selection requirements and particle identification. Table 1: Summary of the efficiencies for $D\pi\pi$ and $DK\pi$ in phase space simulation. Contributions from geometrical acceptance ($\epsilon^{\rm geom}$), trigger and selection requirements ($\epsilon^{\rm trig\&sel}$) and particle identification ($\epsilon^{\rm PID}$) are shown. The geometrical acceptance is evaluated for $B$ mesons produced within the detector acceptance. Values given are in percent. | $B^{0}\rightarrow D\pi\pi$ | $B^{0}\rightarrow DK\pi$ | $B^{0}_{s}\rightarrow DK\pi$ ---|---|---|--- $\epsilon^{\rm geom}$ | 44.70 | 46.60 | 46.50 $\epsilon^{\rm trig\&sel}$ | 01.32 | 01.25 | 01.25 $\epsilon^{\rm PID}$ | 89.30 | 74.80 | 75.00 $\epsilon^{\rm tot}$ | 00.53 | 00.44 | 00.44 The Dalitz plots obtained from the signal weights are shown in Fig. 3. The $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ plot, Fig. 3(a), shows contributions from the $\rho^{0}(770)$ and $f_{2}(1270)$ resonances (upper diagonal edge of the Dalitz plot) and from the $D_{2}^{*-}(2460)$ state (horizontal band), as expected from previous studies of this decay [12, 13]. The $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}$ plot, Fig. 3(b), shows contributions from the $K^{*0}(892)$ (upper diagonal edge) and from the $D_{2}^{*-}(2460)$ (vertical band) resonances, also as expected [10]. The $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$ plot, Fig. 3(c), shows contributions from the $\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}(892)$ (upper diagonal edge) and from the $D_{s2}^{*-}(2573)$ (horizontal band) states. The former contribution is as expected [11]. The decay $B^{0}_{s}\rightarrow D_{s2}^{*-}(2573)\pi^{+}$ has not been observed previously but is expected to exist given the observation of the $B^{0}_{s}\rightarrow D_{s2}^{*-}(2573)\mu^{+}\nu X$ decay [37]. Figure 3: Efficiency corrected Dalitz plot distributions for (a) $B^{0}\rightarrow\kern 1.79997pt\overline{\kern-1.79997ptD}{}^{0}\pi^{+}\pi^{-}$, (b) $B^{0}\rightarrow\kern 1.79997pt\overline{\kern-1.79997ptD}{}^{0}K^{+}\pi^{-}$ and (c) $B^{0}_{s}\rightarrow\kern 1.79997pt\overline{\kern-1.79997ptD}{}^{0}K^{-}\pi^{+}$ candidates obtained from the signal weights. ## 5 Systematic uncertainties and cross-checks Systematic uncertainties are assigned to both branching fraction ratios due to the following sources (summarised in Table 2). Note that all uncertainties are relative. The variation of efficiency across the Dalitz plot may not be correctly modelled in simulation. A two-dimensional polynomial is used to fit the variation across the Dalitz region of each of the four contributions to the efficiency (detector acceptance, selection criteria, PID and trigger effects). These polynomials are used to generate 1000 simulated pseudo- experiments, varying the fit parameters within their uncertainties. Each set of simulations is used to calculate the efficiency corrected yield. The standard deviation from a Gaussian fit to these yields is used to provide a systematic uncertainty for each decay mode. This leads to a systematic uncertainty of 3.4 % (3.1 %) for $R_{B^{0}}$ ($R_{B^{0}_{s}}$). The $DK\pi$ fit model is varied by scaling the signal PDF width ratio to account for the different masses of the $B^{0}$ and $B^{0}_{s}$ mesons, replacing the PDFs of the background components with unsmoothed versions, adding components for potential background from $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{*0}\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}$ and $\kern 1.00006pt\overline{\kern-1.00006pt\mathchar 28931\relax}^{0}_{b}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\overline{}p\pi^{+}$ decays, and replacing the double Gaussian signal components with double Crystal Ball [38] functions. The $D\pi\pi$ fit model is varied by replacing the PDF of the $\kern 1.00006pt\overline{\kern-1.00006pt\mathchar 28931\relax}^{0}_{b}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\overline{}p\pi^{+}$ component with an unsmoothed version, varying the slope of the combinatorial background and replacing the exponential partially reconstructed background component with a PDF for $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{*0}\pi^{+}\pi^{-}$ decays. Combined in quadrature, these contribute 6.3 % (4.3 %) to $R_{B^{0}}$ ($R_{B^{0}_{s}}$). Variations in the $D^{*\pm}$, $D^{\pm}$ and $D^{\pm}_{s}$ vetoes contribute to $R_{B^{0}}$ ($R_{B^{0}_{s}}$), at the level of $<$0.1 %, 2.0 % and 0.2 % (1.0 %, 0.5 % and 0.2 %), respectively. In addition, the possible differences in the data to simulation ratios of trigger and PID efficiencies between the two channels (both 1.0 %) and the limited statistics of the simulated data samples used to calculate efficiencies (2.0 %) affect both $R_{B^{0}}$ and $R_{B^{0}_{s}}$. The uncertainty on the quantity $f_{s}/f_{d}$ (7.8 %) affects only $R_{B^{0}_{s}}$. The total systematic uncertainties are obtained as the quadratic sums of all contributions. Table 2: Systematic uncertainties on $R_{B^{0}}$ and $R_{B^{0}_{s}}$. The total is obtained from the sum in quadrature of all contributions. Note that all uncertainties are relative. | Uncertainty (%) ---|--- Source | $<$ $B^{0}$ | $B^{0}_{s}$ Modelling of efficiency | $<$ 3.4 | 3.1 Fit model | $<$ 6.3 | 4.3 $D^{*\pm}$ veto | $<$ 0.1 | 1.0 $D^{\pm}$ veto | $<$ 2.0 | 0.2 $D^{\pm}_{s}$ veto | $<$ 0.2 | 0.5 Trigger | $<$ 1.0 | 1.0 Particle identification | $<$ 1.0 | 1.0 Simulation statistics | $<$ 2.0 | 2.0 $f_{s}/f_{d}$ | $<$ – | 7.8 Total | $<$ 7.8 | 9.8 A number of cross-checks are performed to test the stability of the results. Based upon the hardware trigger decision, candidates are separated into three groups: events in which a particle from the signal decay created a cluster with enough energy in the calorimeter to fire the trigger, events that were triggered independently of the signal decay and those events that were triggered by both the signal decay and the rest of the event. The data sample is divided by dipole magnet polarity. The neural network and PID requirements are both tightened and loosened. The PID efficiency is evaluated using the kinematic properties from $\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ data instead of from simulation. The requirement for the $B^{0}_{(s)}$ mass constrained fits to converge is removed. All cross-checks give consistent results. ## 6 Results and conclusions In summary, the decay $B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}$ has been observed for the first time, and its branching fraction relative to that of the $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}$ decay is measured to be $\frac{{\cal B}\left(B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}\right)}{{\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)}=1.18\pm 0.05\,\text{(stat.)}\pm 0.12\,\text{(syst.)}\,.$ The current world average value of ${\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)=(8.4\pm 0.4\pm 0.8)\times 10^{-4}$ [12] assumes equal production of $B^{+}B^{-}$ and $B^{0}\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ at the $\mathchar 28935\relax{(4S)}$ resonance and uses the $D^{0}$ branching fraction ${\cal B}\left(D^{0}\rightarrow K^{-}\pi^{+}\right)=(3.80\pm 0.07)\,\%$. Using the current world average values of $\Gamma(\mathchar 28935\relax{(4S)}\rightarrow B^{+}B^{-})/\Gamma(\mathchar 28935\relax{(4S)}\rightarrow B^{0}\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0})=1.055\pm 0.025$ [33] and ${\cal B}\left(D^{0}\rightarrow K^{-}\pi^{+}\right)=(3.88\pm 0.05)\,\%$ [33], the branching fraction of the normalisation channel becomes ${\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)=(8.5\pm 0.4\pm 0.8)\times 10^{-4}$. This corrected value gives ${\cal B}\left(B^{0}_{s}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{-}\pi^{+}\right)=(1.00\pm 0.04\,\text{(stat.)}\pm 0.10\,\text{(syst.)}\pm 0.10\,\text{(}{\cal B}\text{)})\times 10^{-3}\,,$ where the third uncertainty arises from ${\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)$. The $B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}$ decay has also been measured, with relative branching fraction $\frac{{\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}\right)}{{\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)}=0.106\pm 0.007\,\text{(stat.)}\pm 0.008\,\text{(syst.)}\,.$ Using the corrected value of ${\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}\pi^{+}\pi^{-}\right)$ gives ${\cal B}\left(B^{0}\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptD}{}^{0}K^{+}\pi^{-}\right)=(9.0\pm 0.6\,\text{(stat.)}\pm 0.7\,\text{(syst.)}\pm 0.9\,\text{(}{\cal B}\text{)})\times 10^{-5}\,,$ which is the most precise measurement of this quantity to date. Future studies of the Dalitz plot distributions of these decays will provide insight into the dynamics of hadronic $B$ decays. In addition, the $B^{0}\rightarrow DK^{+}\pi^{-}$ decay may be used to measure the $C\\!P$ violating phase $\gamma$. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); ANCS/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are thankful for the computing resources put at our disposal by Yandex LLC (Russia), as well as to the communities behind the multiple open source software packages that we depend on. ## References * [1] N. Cabibbo, Unitary symmetry and leptonic decays, Phys. Rev. Lett. 10 (1963) 531 * [2] M. Kobayashi and T. Maskawa, CP violation in the renormalizable theory of weak interaction, Prog. Theor. Phys. 49 (1973) 652 * [3] BaBar collaboration, J. P. Lees et al., Observation of direct $C\\!P$ violation in the measurement of the Cabibbo-Kobayashi-Maskawa angle $\gamma$ with $B^{\pm}\rightarrow D^{(*)}K^{(*)\pm}$ decays, Phys. Rev. D87 (2013) 052015, arXiv:1301.1029 * [4] K. 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arxiv-papers
2013-04-23T15:20:29
2024-09-04T02:49:44.700616
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, G. Bencivenni, S.\n Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M. van Beuzekom,\n A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F.\n Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W. Bonivento, S.\n Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van\n den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton, N.H. Brook, H.\n Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S. Cadeddu, O.\n Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, D. Campora Perez,\n A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H. Carranza-Mejia, L.\n Carson, K. Carvalho Akiba, G. Casse, L. Castillo Garcia, M. Cattaneo, Ch.\n Cauet, M. Charles, Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K.\n Ciba, X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, B.\n Couturier, G.A. Cowan, D.C. Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P.\n David, P.N.Y. David, A. Davis, I. De Bonis, K. De Bruyn, S. De Capua, M. De\n Cian, J.M. De Miranda, L. De Paula, W. De Silva, P. De Simone, D. Decamp, M.\n Deckenhoff, L. Del Buono, N. D\\'el\\'eage, D. Derkach, O. Deschamps, F.\n Dettori, A. Di Canto, F. Di Ruscio, H. Dijkstra, M. Dogaru, S. Donleavy, F.\n Dordei, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya, F. Dupertuis, R.\n Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U. Egede, V. Egorychev, S.\n Eidelman, D. van Eijk, S. Eisenhardt, U. Eitschberger, R. Ekelhof, L. Eklund,\n I. El Rifai, Ch. Elsasser, D. Elsby, A. Falabella, C. F\\\"arber, G. Fardell,\n C. Farinelli, S. Farry, V. Fave, D. Ferguson, V. Fernandez Albor, F. Ferreira\n Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, C. Fitzpatrick, M. Fontana,\n F. Fontanelli, R. Forty, O. Francisco, M. Frank, C. Frei, M. Frosini, S.\n Furcas, E. Furfaro, A. Gallas Torreira, D. Galli, M. Gandelman, P. Gandini,\n Y. Gao, J. Garofoli, P. Garosi, J. Garra Tico, L. Garrido, C. Gaspar, R.\n Gauld, E. Gersabeck, M. Gersabeck, T. Gershon, Ph. Ghez, V. Gibson, V.V.\n Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M.\n Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G.\n Graziani, A. Grecu, E. Greening, S. Gregson, P. Griffith, O. Gr\\\"unberg, B.\n Gui, E. Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G. Haefeli, C. Haen,\n S.C. Haines, S. Hall, T. Hampson, S. Hansmann-Menzemer, N. Harnew, S.T.\n Harnew, J. Harrison, T. Hartmann, J. He, V. Heijne, K. Hennessy, P. Henrard,\n J.A. Hernando Morata, E. van Herwijnen, E. Hicks, D. Hill, M. Hoballah, C.\n Hombach, P. Hopchev, W. Hulsbergen, P. Hunt, T. Huse, N. Hussain, D.\n Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik, P. Ilten, R. Jacobsson, A.\n Jaeger, E. Jans, P. Jaton, A. Jawahery, F. Jing, M. John, D. Johnson, C.R.\n Jones, C. Joram, B. Jost, M. Kaballo, S. Kandybei, M. Karacson, T.M. Karbach,\n I.R. Kenyon, U. Kerzel, T. Ketel, A. Keune, B. Khanji, O. Kochebina, I.\n Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L. Kravchuk,\n K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M. Kucharczyk, V.\n Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G. Lafferty, A.\n Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C. Langenbruch,\n T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\'evre,\n A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B. Leverington, Y.\n Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G. Liu, S. Lohn, I.\n Longstaff, J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H. Lu, D. Lucchesi,\n J. Luisier, H. Luo, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S.\n Malde, G. Manca, G. Mancinelli, U. Marconi, R. M\\\"arki, J. Marks, G.\n Martellotti, A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M. Martinelli, D.\n Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev, Z. Mathe, C.\n Matteuzzi, E. Maurice, A. Mazurov, J. McCarthy, A. McNab, R. McNulty, B.\n Meadows, F. Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J.\n Molina Rodriguez, S. Monteil, D. Moran, P. Morawski, M.J. Morello, R.\n Mountain, I. Mous, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster,\n P. Naik, T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neufeld, A.D.\n Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R. Niet, N. Nikitin,\n T. Nikodem, A. Nomerotski, A. Novoselov, A. Oblakowska-Mucha, V. Obraztsov,\n S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, M. Orlandea, J.M. Otalora\n Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano, M. Palutan, J. Panman,\n A. Papanestis, M. Pappagallo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D.\n Patel, M. Patel, G.N. Patrick, C. Patrignani, C. Pavel-Nicorescu, A. Pazos\n Alvarez, A. Pellegrino, G. Penso, M. Pepe Altarelli, S. Perazzini, D.L.\n Perego, E. Perez Trigo, A. P\\'erez-Calero Yzquierdo, P. Perret, M.\n Perrin-Terrin, G. Pessina, K. Petridis, A. Petrolini, A. Phan, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, S. Playfer, M. Plo Casasus, F.\n Polci, G. Polok, A. Poluektov, E. Polycarpo, A. Popov, D. Popov, B. Popovici,\n C. Potterat, A. Powell, J. Prisciandaro, V. Pugatch, A. Puig Navarro, G.\n Punzi, W. Qian, J.H. Rademacker, B. Rakotomiaramanana, M.S. Rangel, I.\n Raniuk, N. Rauschmayr, G. Raven, S. Redford, M.M. Reid, A.C. dos Reis, S.\n Ricciardi, A. Richards, K. Rinnert, V. Rives Molina, D.A. Roa Romero, P.\n Robbe, E. Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A. Romero\n Vidal, J. Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino,\n J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, V. Salustino Guimaraes,\n C. Salzmann, B. Sanmartin Sedes, M. Sannino, R. Santacesaria, C. Santamarina\n Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie,\n D. Savrina, P. Schaack, M. Schiller, H. Schindler, M. Schlupp, M. Schmelling,\n B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B.\n Sciascia, A. Sciubba, M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N.\n Serra, J. Serrano, P. Seyfert, M. Shapkin, I. Shapoval, P. Shatalov, Y.\n Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires,\n R. Silva Coutinho, T. Skwarnicki, N.A. Smith, E. Smith, M. Smith, M.D.\n Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza De Paula, B. Spaan, A.\n Sparkes, P. Spradlin, F. Stagni, S. Stahl, O. Steinkamp, S. Stoica, S. Stone,\n B. Storaci, M. Straticiuc, U. Straumann, V.K. Subbiah, L. Sun, S. Swientek,\n V. Syropoulos, M. Szczekowski, P. Szczypka, T. Szumlak, S. T'Jampens, M.\n Teklishyn, E. Teodorescu, F. Teubert, C. Thomas, E. Thomas, J. van Tilburg,\n V. Tisserand, M. Tobin, S. Tolk, D. Tonelli, S. Topp-Joergensen, N. Torr, E.\n Tournefier, S. Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev, P.\n Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, D. Urner, U. Uwer, V.\n Vagnoni, G. Valenti, R. Vazquez Gomez, P. Vazquez Regueiro, S. Vecchi, J.J.\n Velthuis, M. Veltri, G. Veneziano, M. Vesterinen, B. Viaud, D. Vieira, X.\n Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D. Voong, A. Vorobyev, V.\n Vorobyev, C. Vo\\ss, H. Voss, R. Waldi, R. Wallace, S. Wandernoth, J. Wang,\n D.R. Ward, N.K. Watson, A.D. Webber, D. Websdale, M. Whitehead, J. Wicht, J.\n Wiechczynski, D. Wiedner, L. Wiggers, G. Wilkinson, M.P. Williams, M.\n Williams, F.F. Wilson, J. Wishahi, M. Witek, S.A. Wotton, S. Wright, S. Wu,\n K. Wyllie, Y. Xie, F. Xing, Z. Xing, Z. Yang, R. Young, X. Yuan, O.\n Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y.\n Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Daniel Craik", "url": "https://arxiv.org/abs/1304.6317" }
1304.6325
EUROPEAN ORGANIZATION FOR NUCLEAR RESEARCH (CERN) ​​​ CERN-PH-EP-2013-074 LHCb-PAPER-2013-019 8 July 2013 Differential branching fraction and angular analysis of the decay $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ The LHCb collaboration†††Authors are listed on the following pages. The angular distribution and differential branching fraction of the decay $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ are studied using a data sample, collected by the LHCb experiment in $pp$ collisions at $\sqrt{s}=7\mathrm{\,Te\kern-1.00006ptV}$, corresponding to an integrated luminosity of $1.0\mbox{\,fb}^{-1}$. Several angular observables are measured in bins of the dimuon invariant mass squared, $q^{2}$. A first measurement of the zero-crossing point of the forward-backward asymmetry of the dimuon system is also presented. The zero-crossing point is measured to be $q_{0}^{2}=4.9\pm 0.9\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$, where the uncertainty is the sum of statistical and systematic uncertainties. The results are consistent with the Standard Model predictions. Submitted to JHEP © CERN on behalf of the LHCb collaboration, license CC-BY-3.0. LHCb collaboration R. Aaij40, C. Abellan Beteta35,n, B. Adeva36, M. Adinolfi45, C. Adrover6, A. Affolder51, Z. Ajaltouni5, J. Albrecht9, F. Alessio37, M. Alexander50, S. Ali40, G. Alkhazov29, P. Alvarez Cartelle36, A.A. Alves Jr24,37, S. Amato2, S. Amerio21, Y. Amhis7, L. Anderlini17,f, J. Anderson39, R. Andreassen56, R.B. Appleby53, O. Aquines Gutierrez10, F. Archilli18, A. Artamonov 34, M. Artuso58, E. Aslanides6, G. Auriemma24,m, S. Bachmann11, J.J. Back47, C. Baesso59, V. Balagura30, W. Baldini16, R.J. Barlow53, C. Barschel37, S. Barsuk7, W. Barter46, Th. Bauer40, A. Bay38, J. Beddow50, F. Bedeschi22, I. Bediaga1, S. Belogurov30, K. Belous34, I. Belyaev30, E. Ben-Haim8, G. Bencivenni18, S. Benson49, J. Benton45, A. Berezhnoy31, R. Bernet39, M.-O. Bettler46, M. van Beuzekom40, A. Bien11, S. Bifani44, T. Bird53, A. Bizzeti17,h, P.M. Bjørnstad53, T. Blake37, F. Blanc38, J. Blouw11, S. Blusk58, V. Bocci24, A. Bondar33, N. Bondar29, W. Bonivento15, S. Borghi53, A. Borgia58, T.J.V. Bowcock51, E. Bowen39, C. Bozzi16, T. Brambach9, J. van den Brand41, J. Bressieux38, D. Brett53, M. Britsch10, T. Britton58, N.H. Brook45, H. Brown51, I. Burducea28, A. Bursche39, G. Busetto21,q, J. Buytaert37, S. Cadeddu15, O. Callot7, M. Calvi20,j, M. Calvo Gomez35,n, A. Camboni35, P. Campana18,37, D. Campora Perez37, A. Carbone14,c, G. Carboni23,k, R. Cardinale19,i, A. Cardini15, H. Carranza-Mejia49, L. Carson52, K. Carvalho Akiba2, G. Casse51, L. Castillo Garcia37, M. Cattaneo37, Ch. Cauet9, M. Charles54, Ph. Charpentier37, P. Chen3,38, N. Chiapolini39, M. Chrzaszcz 25, K. Ciba37, X. Cid Vidal37, G. Ciezarek52, P.E.L. Clarke49, M. Clemencic37, H.V. Cliff46, J. Closier37, C. Coca28, V. Coco40, J. Cogan6, E. Cogneras5, P. Collins37, A. Comerma-Montells35, A. Contu15,37, A. Cook45, M. Coombes45, S. Coquereau8, G. Corti37, B. Couturier37, G.A. Cowan49, D.C. Craik47, S. Cunliffe52, R. Currie49, C. D’Ambrosio37, P. David8, P.N.Y. David40, A. Davis56, I. De Bonis4, K. De Bruyn40, S. De Capua53, M. De Cian39, J.M. De Miranda1, L. De Paula2, W. De Silva56, P. De Simone18, D. Decamp4, M. Deckenhoff9, L. Del Buono8, N. Déléage4, D. Derkach14, O. Deschamps5, F. Dettori41, A. Di Canto11, F. Di Ruscio23,k, H. Dijkstra37, M. Dogaru28, S. Donleavy51, F. Dordei11, A. Dosil Suárez36, D. Dossett47, A. Dovbnya42, F. Dupertuis38, R. Dzhelyadin34, A. Dziurda25, A. Dzyuba29, S. Easo48,37, U. Egede52, V. Egorychev30, S. Eidelman33, D. van Eijk40, S. Eisenhardt49, U. Eitschberger9, R. Ekelhof9, L. Eklund50,37, I. El Rifai5, Ch. Elsasser39, D. Elsby44, A. Falabella14,e, C. Färber11, G. Fardell49, C. Farinelli40, S. Farry12, V. Fave38, D. Ferguson49, V. Fernandez Albor36, F. Ferreira Rodrigues1, M. Ferro-Luzzi37, S. Filippov32, M. Fiore16, C. Fitzpatrick37, M. Fontana10, F. Fontanelli19,i, R. Forty37, O. Francisco2, M. Frank37, C. Frei37, M. Frosini17,f, S. Furcas20, E. Furfaro23,k, A. Gallas Torreira36, D. Galli14,c, M. Gandelman2, P. Gandini58, Y. Gao3, J. Garofoli58, P. Garosi53, J. Garra Tico46, L. Garrido35, C. Gaspar37, R. Gauld54, E. Gersabeck11, M. Gersabeck53, T. Gershon47,37, Ph. Ghez4, V. Gibson46, V.V. Gligorov37, C. Göbel59, D. Golubkov30, A. Golutvin52,30,37, A. Gomes2, H. Gordon54, M. Grabalosa Gándara5, R. Graciani Diaz35, L.A. Granado Cardoso37, E. Graugés35, G. Graziani17, A. Grecu28, E. Greening54, S. Gregson46, P. Griffith44, O. Grünberg60, B. Gui58, E. Gushchin32, Yu. Guz34,37, T. Gys37, C. Hadjivasiliou58, G. Haefeli38, C. Haen37, S.C. Haines46, S. Hall52, T. Hampson45, S. Hansmann-Menzemer11, N. Harnew54, S.T. Harnew45, J. Harrison53, T. Hartmann60, J. He37, V. Heijne40, K. Hennessy51, P. Henrard5, J.A. Hernando Morata36, E. van Herwijnen37, E. Hicks51, D. Hill54, M. Hoballah5, C. Hombach53, P. Hopchev4, W. Hulsbergen40, P. Hunt54, T. Huse51, N. Hussain54, D. Hutchcroft51, D. Hynds50, V. Iakovenko43, M. Idzik26, P. Ilten12, R. Jacobsson37, A. Jaeger11, E. Jans40, P. Jaton38, A. Jawahery57, F. Jing3, M. John54, D. Johnson54, C.R. Jones46, C. Joram37, B. Jost37, M. Kaballo9, S. Kandybei42, M. Karacson37, T.M. Karbach37, I.R. Kenyon44, U. Kerzel37, T. Ketel41, A. Keune38, B. Khanji20, O. Kochebina7, I. Komarov38, R.F. Koopman41, P. Koppenburg40, M. Korolev31, A. Kozlinskiy40, L. Kravchuk32, K. Kreplin11, M. Kreps47, G. Krocker11, P. Krokovny33, F. Kruse9, M. Kucharczyk20,25,j, V. Kudryavtsev33, T. Kvaratskheliya30,37, V.N. La Thi38, D. Lacarrere37, G. Lafferty53, A. Lai15, D. Lambert49, R.W. Lambert41, E. Lanciotti37, G. Lanfranchi18, C. Langenbruch37, T. Latham47, C. Lazzeroni44, R. Le Gac6, J. van Leerdam40, J.-P. Lees4, R. Lefèvre5, A. Leflat31, J. Lefrançois7, S. Leo22, O. Leroy6, T. Lesiak25, B. Leverington11, Y. Li3, L. Li Gioi5, M. Liles51, R. Lindner37, C. Linn11, B. Liu3, G. Liu37, S. Lohn37, I. Longstaff50, J.H. Lopes2, E. Lopez Asamar35, N. Lopez-March38, H. Lu3, D. Lucchesi21,q, J. Luisier38, H. Luo49, F. Machefert7, I.V. Machikhiliyan4,30, F. Maciuc28, O. Maev29,37, S. Malde54, G. Manca15,d, G. Mancinelli6, U. Marconi14, R. Märki38, J. Marks11, G. Martellotti24, A. Martens8, L. Martin54, A. Martín Sánchez7, M. Martinelli40, D. Martinez Santos41, D. Martins Tostes2, A. Massafferri1, R. Matev37, Z. Mathe37, C. Matteuzzi20, E. Maurice6, A. Mazurov16,32,37,e, J. McCarthy44, A. McNab53, R. McNulty12, B. Meadows56,54, F. Meier9, M. Meissner11, M. Merk40, D.A. Milanes8, M.-N. Minard4, J. Molina Rodriguez59, S. Monteil5, D. Moran53, P. Morawski25, M.J. Morello22,s, R. Mountain58, I. Mous40, F. Muheim49, K. Müller39, R. Muresan28, B. Muryn26, B. Muster38, P. Naik45, T. Nakada38, R. Nandakumar48, I. Nasteva1, M. Needham49, N. Neufeld37, A.D. Nguyen38, T.D. Nguyen38, C. Nguyen-Mau38,p, M. Nicol7, V. Niess5, R. Niet9, N. Nikitin31, T. Nikodem11, A. Nomerotski54, A. Novoselov34, A. Oblakowska-Mucha26, V. Obraztsov34, S. Oggero40, S. Ogilvy50, O. Okhrimenko43, R. Oldeman15,d, M. Orlandea28, J.M. Otalora Goicochea2, P. Owen52, A. Oyanguren 35,o, B.K. Pal58, A. Palano13,b, M. Palutan18, J. Panman37, A. Papanestis48, M. Pappagallo50, C. Parkes53, C.J. Parkinson52, G. Passaleva17, G.D. Patel51, M. Patel52, G.N. Patrick48, C. Patrignani19,i, C. Pavel-Nicorescu28, A. Pazos Alvarez36, A. Pellegrino40, G. Penso24,l, M. Pepe Altarelli37, S. Perazzini14,c, D.L. Perego20,j, E. Perez Trigo36, A. Pérez- Calero Yzquierdo35, P. Perret5, M. Perrin-Terrin6, G. Pessina20, K. Petridis52, A. Petrolini19,i, A. Phan58, E. Picatoste Olloqui35, B. Pietrzyk4, T. Pilař47, D. Pinci24, S. Playfer49, M. Plo Casasus36, F. Polci8, G. Polok25, A. Poluektov47,33, E. Polycarpo2, A. Popov34, D. Popov10, B. Popovici28, C. Potterat35, A. Powell54, J. Prisciandaro38, V. Pugatch43, A. Puig Navarro38, G. Punzi22,r, W. Qian4, J.H. Rademacker45, B. Rakotomiaramanana38, M.S. Rangel2, I. Raniuk42, N. Rauschmayr37, G. Raven41, S. Redford54, M.M. Reid47, A.C. dos Reis1, S. Ricciardi48, A. Richards52, K. Rinnert51, V. Rives Molina35, D.A. Roa Romero5, P. Robbe7, E. Rodrigues53, P. Rodriguez Perez36, S. Roiser37, V. Romanovsky34, A. Romero Vidal36, J. Rouvinet38, T. Ruf37, F. Ruffini22, H. Ruiz35, P. Ruiz Valls35,o, G. Sabatino24,k, J.J. Saborido Silva36, N. Sagidova29, P. Sail50, B. Saitta15,d, V. Salustino Guimaraes2, C. Salzmann39, B. Sanmartin Sedes36, M. Sannino19,i, R. Santacesaria24, C. Santamarina Rios36, E. Santovetti23,k, M. Sapunov6, A. Sarti18,l, C. Satriano24,m, A. Satta23, M. Savrie16,e, D. Savrina30,31, P. Schaack52, M. Schiller41, H. Schindler37, M. Schlupp9, M. Schmelling10, B. Schmidt37, O. Schneider38, A. Schopper37, M.-H. Schune7, R. Schwemmer37, B. Sciascia18, A. Sciubba24, M. Seco36, A. Semennikov30, K. Senderowska26, I. Sepp52, N. Serra39, J. Serrano6, P. Seyfert11, M. Shapkin34, I. Shapoval16,42, P. Shatalov30, Y. Shcheglov29, T. Shears51,37, L. Shekhtman33, O. Shevchenko42, V. Shevchenko30, A. Shires52, R. Silva Coutinho47, T. Skwarnicki58, N.A. Smith51, E. Smith54,48, M. Smith53, M.D. Sokoloff56, F.J.P. Soler50, F. Soomro18, D. Souza45, B. Souza De Paula2, B. Spaan9, A. Sparkes49, P. Spradlin50, F. Stagni37, S. Stahl11, O. Steinkamp39, S. Stoica28, S. Stone58, B. Storaci39, M. Straticiuc28, U. Straumann39, V.K. Subbiah37, L. Sun56, S. Swientek9, V. Syropoulos41, M. Szczekowski27, P. Szczypka38,37, T. Szumlak26, S. T’Jampens4, M. Teklishyn7, E. Teodorescu28, F. Teubert37, C. Thomas54, E. Thomas37, J. van Tilburg11, V. Tisserand4, M. Tobin38, S. Tolk41, D. Tonelli37, S. Topp-Joergensen54, N. Torr54, E. Tournefier4,52, S. Tourneur38, M.T. Tran38, M. Tresch39, A. Tsaregorodtsev6, P. Tsopelas40, N. Tuning40, M. Ubeda Garcia37, A. Ukleja27, D. Urner53, U. Uwer11, V. Vagnoni14, G. Valenti14, R. Vazquez Gomez35, P. Vazquez Regueiro36, S. Vecchi16, J.J. Velthuis45, M. Veltri17,g, G. Veneziano38, M. Vesterinen37, B. Viaud7, D. Vieira2, X. Vilasis-Cardona35,n, A. Vollhardt39, D. Volyanskyy10, D. Voong45, A. Vorobyev29, V. Vorobyev33, C. Voß60, H. Voss10, R. Waldi60, R. Wallace12, S. Wandernoth11, J. Wang58, D.R. Ward46, N.K. Watson44, A.D. Webber53, D. Websdale52, M. Whitehead47, J. Wicht37, J. Wiechczynski25, D. Wiedner11, L. Wiggers40, G. Wilkinson54, M.P. Williams47,48, M. Williams55, F.F. Wilson48, J. Wishahi9, M. Witek25, S.A. Wotton46, S. Wright46, S. Wu3, K. Wyllie37, Y. Xie49,37, F. Xing54, Z. Xing58, Z. Yang3, R. Young49, X. Yuan3, O. Yushchenko34, M. Zangoli14, M. Zavertyaev10,a, F. Zhang3, L. Zhang58, W.C. Zhang12, Y. Zhang3, A. Zhelezov11, A. Zhokhov30, L. Zhong3, A. Zvyagin37. 1Centro Brasileiro de Pesquisas Físicas (CBPF), Rio de Janeiro, Brazil 2Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, Brazil 3Center for High Energy Physics, Tsinghua University, Beijing, China 4LAPP, Université de Savoie, CNRS/IN2P3, Annecy-Le-Vieux, France 5Clermont Université, Université Blaise Pascal, CNRS/IN2P3, LPC, Clermont- Ferrand, France 6CPPM, Aix-Marseille Université, CNRS/IN2P3, Marseille, France 7LAL, Université Paris-Sud, CNRS/IN2P3, Orsay, France 8LPNHE, Université Pierre et Marie Curie, Université Paris Diderot, CNRS/IN2P3, Paris, France 9Fakultät Physik, Technische Universität Dortmund, Dortmund, Germany 10Max-Planck-Institut für Kernphysik (MPIK), Heidelberg, Germany 11Physikalisches Institut, Ruprecht-Karls-Universität Heidelberg, Heidelberg, Germany 12School of Physics, University College Dublin, Dublin, Ireland 13Sezione INFN di Bari, Bari, Italy 14Sezione INFN di Bologna, Bologna, Italy 15Sezione INFN di Cagliari, Cagliari, Italy 16Sezione INFN di Ferrara, Ferrara, Italy 17Sezione INFN di Firenze, Firenze, Italy 18Laboratori Nazionali dell’INFN di Frascati, Frascati, Italy 19Sezione INFN di Genova, Genova, Italy 20Sezione INFN di Milano Bicocca, Milano, Italy 21Sezione INFN di Padova, Padova, Italy 22Sezione INFN di Pisa, Pisa, Italy 23Sezione INFN di Roma Tor Vergata, Roma, Italy 24Sezione INFN di Roma La Sapienza, Roma, Italy 25Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences, Kraków, Poland 26AGH - University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland 27National Center for Nuclear Research (NCBJ), Warsaw, Poland 28Horia Hulubei National Institute of Physics and Nuclear Engineering, Bucharest-Magurele, Romania 29Petersburg Nuclear Physics Institute (PNPI), Gatchina, Russia 30Institute of Theoretical and Experimental Physics (ITEP), Moscow, Russia 31Institute of Nuclear Physics, Moscow State University (SINP MSU), Moscow, Russia 32Institute for Nuclear Research of the Russian Academy of Sciences (INR RAN), Moscow, Russia 33Budker Institute of Nuclear Physics (SB RAS) and Novosibirsk State University, Novosibirsk, Russia 34Institute for High Energy Physics (IHEP), Protvino, Russia 35Universitat de Barcelona, Barcelona, Spain 36Universidad de Santiago de Compostela, Santiago de Compostela, Spain 37European Organization for Nuclear Research (CERN), Geneva, Switzerland 38Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland 39Physik-Institut, Universität Zürich, Zürich, Switzerland 40Nikhef National Institute for Subatomic Physics, Amsterdam, The Netherlands 41Nikhef National Institute for Subatomic Physics and VU University Amsterdam, Amsterdam, The Netherlands 42NSC Kharkiv Institute of Physics and Technology (NSC KIPT), Kharkiv, Ukraine 43Institute for Nuclear Research of the National Academy of Sciences (KINR), Kyiv, Ukraine 44University of Birmingham, Birmingham, United Kingdom 45H.H. Wills Physics Laboratory, University of Bristol, Bristol, United Kingdom 46Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom 47Department of Physics, University of Warwick, Coventry, United Kingdom 48STFC Rutherford Appleton Laboratory, Didcot, United Kingdom 49School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom 50School of Physics and Astronomy, University of Glasgow, Glasgow, United Kingdom 51Oliver Lodge Laboratory, University of Liverpool, Liverpool, United Kingdom 52Imperial College London, London, United Kingdom 53School of Physics and Astronomy, University of Manchester, Manchester, United Kingdom 54Department of Physics, University of Oxford, Oxford, United Kingdom 55Massachusetts Institute of Technology, Cambridge, MA, United States 56University of Cincinnati, Cincinnati, OH, United States 57University of Maryland, College Park, MD, United States 58Syracuse University, Syracuse, NY, United States 59Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio), Rio de Janeiro, Brazil, associated to 2 60Institut für Physik, Universität Rostock, Rostock, Germany, associated to 11 aP.N. Lebedev Physical Institute, Russian Academy of Science (LPI RAS), Moscow, Russia bUniversità di Bari, Bari, Italy cUniversità di Bologna, Bologna, Italy dUniversità di Cagliari, Cagliari, Italy eUniversità di Ferrara, Ferrara, Italy fUniversità di Firenze, Firenze, Italy gUniversità di Urbino, Urbino, Italy hUniversità di Modena e Reggio Emilia, Modena, Italy iUniversità di Genova, Genova, Italy jUniversità di Milano Bicocca, Milano, Italy kUniversità di Roma Tor Vergata, Roma, Italy lUniversità di Roma La Sapienza, Roma, Italy mUniversità della Basilicata, Potenza, Italy nLIFAELS, La Salle, Universitat Ramon Llull, Barcelona, Spain oIFIC, Universitat de Valencia-CSIC, Valencia, Spain pHanoi University of Science, Hanoi, Viet Nam qUniversità di Padova, Padova, Italy rUniversità di Pisa, Pisa, Italy sScuola Normale Superiore, Pisa, Italy ## 1 Introduction The $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay,111Charge conjugation is implied throughout this paper unless stated otherwise. where $K^{*0}\\!\rightarrow K^{+}\pi^{-}$, is a $b\rightarrow s$ flavour changing neutral current process that is mediated by electroweak box and penguin type diagrams in the Standard Model (SM). The angular distribution of the $K^{+}\pi^{-}\mu^{+}\mu^{-}$ system offers particular sensitivity to contributions from new particles in extensions to the SM. The differential branching fraction of the decay also provides information on the contribution from those new particles but typically suffers from larger theoretical uncertainties due to hadronic form factors. The angular distribution of the decay can be described by three angles ($\theta_{\ell},\theta_{K}$ and $\phi$) and by the invariant mass squared of the dimuon system ($q^{2}$). The $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay is self-tagging through the charge of the kaon and so there is some freedom in the choice of the angular basis that is used to describe the decay. In this paper, the angle $\theta_{\ell}$ is defined as the angle between the direction of the $\mu^{+}$ ($\mu^{-}$) and the direction opposite that of the $B^{0}$ ($\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$) in the dimuon rest frame. The angle $\theta_{K}$ is defined as the angle between the direction of the kaon and the direction of opposite that of the $B^{0}$ ($\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$) in in the $K^{*0}$ ($\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}$) rest frame. The angle $\phi$ is the angle between the plane containing the $\mu^{+}$ and $\mu^{-}$ and the plane containing the kaon and pion from the $K^{*0}$ ($\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}$) in the $B^{0}$ ($\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$) rest frame. The basis is designed such that the angular definition for the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decay is a $C\\!P$ transformation of that for the $B^{0}$ decay. This basis differs from some that appear in the literature. A graphical representation, and a more detailed description, of the angular basis is given in Appendix A. Using the notation of Ref. [1], the decay distribution of the $B^{0}$ corresponds to $\begin{split}\frac{\mathrm{d}^{4}\Gamma}{\mathrm{d}q^{2}\,\mathrm{d}\cos\theta_{\ell}\,\mathrm{d}\cos\theta_{K}\,\mathrm{d}\phi}=\frac{9}{32\pi}&\left[\frac{}{}{I_{1}^{s}}\sin^{2}\theta_{K}+{I_{1}^{c}}\cos^{2}\theta_{K}~{}+\right.\\\ &\left.~{}\frac{}{}{I_{2}^{s}}\sin^{2}\theta_{K}\cos 2\theta_{\ell}+{I_{2}^{c}}\cos^{2}\theta_{K}\cos 2\theta_{\ell}~{}+\right.\\\ &\left.~{}\frac{}{}{I_{3}}\sin^{2}\theta_{K}\sin^{2}\theta_{\ell}\cos 2\phi+{{I_{4}\sin 2\theta_{K}\sin 2\theta_{\ell}\cos\phi}}~{}+\right.\\\ &~{}\frac{}{}\left.{{{I_{5}}\sin 2\theta_{K}\sin\theta_{\ell}\cos\phi}}+I_{6}\sin^{2}\theta_{K}\cos\theta_{\ell}~{}+\right.\\\ &~{}\frac{}{}\left.{{{I_{7}}\sin 2\theta_{K}\sin\theta_{\ell}\sin\phi}}+{{{I_{8}}\sin 2\theta_{K}\sin 2\theta_{\ell}\sin\phi}}~{}+\right.\\\ &~{}\frac{}{}\left.I_{9}\sin^{2}\theta_{K}\sin^{2}\theta_{\ell}\sin 2\phi\frac{}{}~{}\right]~{},\end{split}$ (1) where the 11 coefficients, $I_{j}$, are bilinear combinations of $K^{*0}$ decay amplitudes, ${\cal A}_{m}$, and vary with $q^{2}$. The superscripts $s$ and $c$ in the first two terms arise in Ref. [1] and indicate either a $\sin^{2}\theta_{K}$ or $\cos^{2}\theta_{K}$ dependence of the corresponding angular term. In the SM, there are seven complex decay amplitudes, corresponding to different polarisation states of the $K^{*0}$ and chiralities of the dimuon system. In the angular coefficients, the decay amplitudes appear in the combinations $|{\cal A}_{m}|^{2}$, ${\rm Re}({\cal A}_{m}{\cal A}_{n}^{*})$ and ${\rm Im}({\cal A}_{m}{\cal A}_{n}^{*})$. Combining $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decays, and assuming there are equal numbers of each, it is possible to build angular observables that depend on the average of, or difference between, the distributions for the $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decay, $S_{j}=\left.\left(I_{j}+\bar{I}_{j}\right)\middle/\frac{\mathrm{d}\Gamma}{\mathrm{d}q^{2}}\right.~{}\text{or}~{}\left.A_{j}=\left(I_{j}-\bar{I}_{j}\right)\middle/\frac{\mathrm{d}\Gamma}{\mathrm{d}q^{2}}\right.~{}.$ (2) These observables are referred to below as $C\\!P$ averages or $C\\!P$ asymmetries and are normalised with respect to the combined differential decay rate, $\mathrm{d}\Gamma/\mathrm{d}q^{2}$, of $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decays. The observables $S_{7}$, $S_{8}$ and $S_{9}$ depend on combinations ${\rm Im}({\cal A}_{m}{\cal A}_{n}^{*})$ and are suppressed by the small size of the strong phase difference between the decay amplitudes. They are consequently expected to be close to zero across the full $q^{2}$ range not only in the SM but also in most extensions. However, the corresponding $C\\!P$ asymmetries, $A_{7}$, $A_{8}$ and $A_{9}$, are not suppressed by the strong phases involved [2] and remain sensitive to the effects of new particles. If the $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decays are combined using the angular basis in Appendix A, the resulting angular distribution is sensitive to only the $C\\!P$ averages of each of the angular terms. Sensitivity to $A_{7}$, $A_{8}$ and $A_{9}$ is achieved by flipping the sign of $\phi$ ($\phi\rightarrow-\phi$) for the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decay. This procedure results in a combined $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ angular distribution that is sensitive to the $C\\!P$ averages $S_{1}-S_{6}$ and the $C\\!P$ asymmetries of $A_{7}$, $A_{8}$ and $A_{9}$. In the limit that the dimuon mass is large compared to the mass of the muons, $q^{2}\gg 4m_{\mu}^{2}$, the $C\\!P$ average of $I_{1}^{c}$, $I_{1}^{s}$, $I_{2}^{c}$ and $I_{2}^{s}$ ($S_{1}^{c}$, $S_{1}^{s}$, $S_{2}^{c}$ and $S_{2}^{s}$) are related to the fraction of longitudinal polarisation of the $K^{*0}$ meson, $F_{\rm L}$ ($S_{1}^{c}=-S_{2}^{c}=F_{\rm L}$ and $\frac{4}{3}S_{1}^{s}=4S_{2}^{s}=1-F_{\rm L}$). The angular term, $I_{6}$ in Eq. 1, which has a $\sin^{2}\theta_{K}\cos\theta_{\ell}$ dependence, generates a forward-backward asymmetry of the dimuon system, $A_{\rm FB}$ [3] ($A_{\rm FB}=\frac{3}{4}S_{6}$). The term $S_{3}$ is related to the asymmetry between the two sets of transverse $K^{*0}$ amplitudes, referred to in literature as $A_{\rm T}^{2}$ [4], where $S_{3}=\frac{1}{2}\left(1-F_{\rm L}\right)A_{\rm T}^{2}$. In the SM, $A_{\rm FB}$ varies as a function of $q^{2}$ and is known to change sign. The $q^{2}$ dependence arises from the interplay between the different penguin and box diagrams that contribute to the decay. The position of the zero-crossing point of $A_{\rm FB}$ is a precision test of the SM since, in the limit of large $K^{*0}$ energy, its prediction is free from form-factor uncertainties [3]. At large recoil, low values of $q^{2}$, penguin diagrams involving a virtual photon dominate. In this $q^{2}$ region, $A_{\rm T}^{2}$ is sensitive to the polarisation of the virtual photon which, in the SM, is predominately left-handed, due to the nature of the charged-current interaction. In many possible extensions of the SM however, the photon can be both left- or right-hand polarised, leading to large enhancements of $A_{\rm T}^{2}$ [4]. The one-dimensional $\cos\theta_{\ell}$ and $\cos\theta_{K}$ distributions have previously been studied by the LHCb [5], BaBar [6], Belle [7] and CDF [8] experiments with much smaller data samples. The CDF experiment has also previously studied the $\phi$ angle. Even with the larger dataset available in this analysis, it is not yet possible to fit the data for all 11 angular terms. Instead, rather than examining the one dimensional projections as has been done in previous analyses, the angle $\phi$ is transformed such that $\hat{\phi}=\begin{cases}\phi+\pi&\text{~{}if~{}}\phi<0\\\ \phi&\text{~{}otherwise}\end{cases}$ (3) to cancel terms in Eq. 1 that have either a $\sin\phi$ or a $\cos\phi$ dependence. This provides a simplified angular expression, which contains only $F_{\rm L}$, $A_{\rm FB}$, $S_{3}$ and $A_{9}$, $\begin{split}\frac{1}{\mathrm{d}\Gamma/\mathrm{d}q^{2}}\frac{\mathrm{d}^{4}\Gamma}{\mathrm{d}q^{2}\,\mathrm{d}\cos\theta_{\ell}\,\mathrm{d}\cos\theta_{K}\,\mathrm{d}\hat{\phi}}=\frac{9}{16\pi}&\left[\frac{}{}F_{\rm L}\cos^{2}\theta_{K}+\frac{3}{4}(1-F_{\rm L})(1-\cos^{2}\theta_{K})~{}~{}-\right.\\\ &\left.~{}\frac{}{}\,F_{\rm L}\cos^{2}\theta_{K}(2\cos^{2}\theta_{\ell}-1)~{}~{}+\right.\\\ &\left.~{}\frac{}{}~{}\frac{1}{4}(1-F_{\rm L})(1-\cos^{2}\theta_{K})(2\cos^{2}\theta_{\ell}-1)~{}~{}+\right.\\\ &\left.~{}\frac{}{}~{}S_{3}(1-\cos^{2}\theta_{K})(1-\cos^{2}\theta_{\ell})\cos 2\hat{\phi}~{}~{}+\right.\\\ &\left.~{}\frac{}{}~{}\frac{4}{3}A_{\rm FB}(1-\cos^{2}\theta_{K})\cos\theta_{\ell}~{}~{}+\right.\\\ &\left.~{}\frac{}{}~{}A_{9}(1-\cos^{2}\theta_{K})(1-\cos^{2}\theta_{\ell})\sin 2\hat{\phi}\frac{}{}~{}\right]~{}.\end{split}$ (4) This expression involves the same set of observables that can be extracted from fits to the one-dimensional angular projections. At large recoil it is also advantageous to reformulate Eq. 4 in terms of the observables $A_{\rm T}^{2}$ and $A_{\rm T}^{\rm Re}$, where $A_{\rm FB}=\frac{3}{4}\left(1-F_{\rm L}\right)A_{\rm T}^{\rm Re}$. These so called “transverse” observables only depend on a subset of the decay amplitudes (with transverse polarisation of the $K^{*0}$) and are expected to come with reduced form-factor uncertainties [4, 9]. A first measurement of $A_{\rm T}^{2}$ was performed by the CDF experiment [8]. This paper presents a measurement of the differential branching fraction ($\mathrm{d}{\cal B}/\mathrm{d}q^{2}$), $A_{\rm FB}$, $F_{\rm L}$, $S_{3}$ and $A_{9}$ of the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay in six bins of $q^{2}$. Measurements of the transverse observables $A_{\rm T}^{2}$ and $A_{\rm T}^{\rm Re}$ are also presented. The analysis is based on a dataset, corresponding to 1.0$\mbox{\,fb}^{-1}$ of integrated luminosity, collected by the LHCb detector in $\sqrt{s}=7\mathrm{\,Te\kern-1.00006ptV}$ $pp$ collisions in 2011. Section 2 describes the experimental setup used in the analyses. Section 3 describes the event selection. Section 4 discusses potential sources of peaking background. Section 5 describes the treatment of the detector acceptance in the analysis. Section 6 discusses the measurement of $\mathrm{d}{\cal B}/\mathrm{d}q^{2}$. The angular analysis of the decay, in terms of $\cos\theta_{\ell}$, $\cos\theta_{K}$ and $\hat{\phi}$, is described in Sec. 7. Finally, a first measurement of the zero-crossing point of $A_{\rm FB}$ is presented in Sec. 8. ## 2 The LHCb detector The LHCb detector [10] is a single-arm forward spectrometer, covering the pseudorapidity range $2<\eta<5$, that is designed to study $b$ and $c$ hadron decays. A dipole magnet with a bending power of 4 Tm and a large area tracking detector provide momentum resolution ranging from 0.4% for tracks with a momentum of 5${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to 0.6% for a momentum of 100${\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. A silicon microstrip detector, located around the $pp$ interaction region, provides excellent separation of $B$ meson decay vertices from the primary $pp$ interaction and impact parameter resolution of 20$\,\upmu\rm m$ for tracks with high transverse momentum ($p_{\rm T}$). Two ring-imaging Cherenkov (RICH) detectors [11] provide kaon-pion separation in the momentum range $2-100{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. Muons are identified based on hits created in a system of multiwire proportional chambers interleaved with layers of iron. The LHCb trigger [12] comprises a hardware trigger and a two- stage software trigger that performs a full event reconstruction. Samples of simulated events are used to estimate the contribution from specific sources of exclusive backgrounds and the efficiency to trigger, reconstruct and select the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ signal. The simulated $pp$ interactions are generated using Pythia 6.4 [13] with a specific LHCb configuration [14]. Decays of hadronic particles are then described by EvtGen [15] in which final state radiation is generated using Photos [16]. Finally, the Geant4 toolkit [17, *Agostinelli:2002hh] is used to simulate the detector response to the particles produced by Pythia/EvtGen, as described in Ref. [19]. The simulated samples are corrected for known differences between data and simulation in the $B^{0}$ momentum spectrum, the detector impact parameter resolution, particle identification [11] and tracking system performance using control samples from the data. ## 3 Selection of signal candidates The $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ candidates are selected from events that have been triggered by a muon with $\mbox{$p_{\rm T}$}>1.5{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$, in the hardware trigger. In the first stage of the software trigger, candidates are selected if there is a reconstructed track in the event with high impact parameter ($>125\,\upmu\rm m$) with respect to one of the primary $pp$ interactions and $\mbox{$p_{\rm T}$}>1.5{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$. In the second stage of the software trigger, candidates are triggered on the kinematic properties of the partially or fully reconstructed $B^{0}$ candidate [12]. Signal candidates are then required to pass a set of loose (pre-)selection requirements. Candidates are selected for further analysis if: the $B^{0}$ decay vertex is separated from the primary $pp$ interaction; the $B^{0}$ candidate impact parameter is small, and the impact parameters of the charged kaon, pion and muons are large, with respect to the primary $pp$ interaction; and the angle between the $B^{0}$ momentum vector and the vector between the primary $pp$ interaction and the $B^{0}$ decay vertex is small. Candidates are retained if their $K^{+}\pi^{-}$ invariant mass is in the range $792<m({K^{+}\pi^{-}})<992{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. A multivariate selection, using a boosted decision tree (BDT) [20] with the AdaBoost algorithm[21], is applied to further reduce the level of combinatorial background. The BDT is identical to that described in Ref. [5]. It has been trained on a data sample, corresponding to 36$\mbox{\,pb}^{-1}$ of integrated luminosity, collected by the LHCb experiment in 2010. A sample of $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ (${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\\!\rightarrow\mu^{+}\mu^{-}$) candidates is used to represent the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ signal in the BDT training. The decay $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ is used throughout this analysis as a control channel. Candidates from the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ upper mass sideband ($5350<m(K^{+}\pi^{-}\mu^{+}\mu^{-})<5600{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$) are used as a background sample. Candidates with invariant masses below the nominal $B^{0}$ mass contain a significant contribution from partially reconstructed $B$ decays and are not used in the BDT training or in the subsequent analysis. They are removed by requiring that candidates have $m({K^{+}\pi^{-}\mu^{+}\mu^{-}})>5150{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The BDT uses predominantly geometric variables, including the variables used in the above pre-selection. It also includes information on the quality of the $B^{0}$ vertex and the fit $\chi^{2}$ of the four tracks. Finally the BDT includes information from the RICH and muon systems on the likelihood that the kaon, pion and muons are correctly identified. Care has been taken to ensure that the BDT does not preferentially select regions of $q^{2}$, $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass or of the $K^{+}\pi^{-}\mu^{+}\mu^{-}$ angular distribution. The multivariate selection retains 78% of the signal and 12% of the background that remains after the pre-selection. Figure 1: Distribution of $\mu^{+}\mu^{-}$ versus $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass of selected $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ candidates. The vertical lines indicate a $\pm 50{\mathrm{\,Me\kern-0.90005ptV\\!/}c^{2}}$ signal mass window around the nominal $B^{0}$ mass. The horizontal lines indicate the two veto regions that are used to remove ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $\psi{(2S)}\\!\rightarrow\mu^{+}\mu^{-}$ decays. The $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ signal is clearly visible outside of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $\psi{(2S)}\\!\rightarrow\mu^{+}\mu^{-}$ windows. Figure 1 shows the $\mu^{+}\mu^{-}$ versus $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass of the selected candidates. The $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ signal, which peaks in $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass, and populates the full range of the dimuon invariant mass range, is clearly visible. ## 4 Exclusive and partially reconstructed backgrounds Several sources of peaking background have been studied using samples of simulated events, corrected to reflect the difference in particle identification (and misidentification) performance between the data and simulation. Sources of background that are not reduced to a negligible level by the pre- and multivariate-selections are described below. The decays $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $B^{0}\\!\rightarrow K^{*0}\psi{(2S)}$, where ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $\psi{(2S)}\\!\rightarrow\mu^{+}\mu^{-}$, are removed by rejecting candidates with $2946<m({\mu^{+}\mu^{-}})<3176{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ and $3586<m({\mu^{+}\mu^{-}})<3766{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. These vetoes are extended downwards by 150${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ in $m({\mu^{+}\mu^{-}})$ for $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ candidates with masses $5150<m({K^{+}\pi^{-}\mu^{+}\mu^{-}})<5230{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ to account for the radiative tails of the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $\psi{(2S)}$ mesons. They are also extended upwards by 25${\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ for candidates with masses above the $B^{0}$ mass to account for the small percentage of ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ or $\psi{(2S)}$ decays that are misreconstructed at higher masses. The ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $\psi{(2S)}$ vetoes are shown in Fig. 1. The decay $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ can also form a source of peaking background if the kaon or pion is misidentified as a muon and swapped with one of the muons from the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ decay. This background is removed by rejecting candidates that have a $K^{+}\mu^{-}$ or $\pi^{-}\mu^{+}$ invariant mass (where the kaon or pion is assigned the muon mass) in the range $3036<m({\mu^{+}\mu^{-}})<3156{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ if the kaon or pion can also be matched to hits in the muon stations. A similar veto is applied for the decay $B^{0}\\!\rightarrow K^{*0}\psi{(2S)}$. The decay $B^{0}_{s}\\!\rightarrow\phi\mu^{+}\mu^{-}$, where $\phi\\!\rightarrow K^{+}K^{-}$, is removed by rejecting candidates if the $K^{+}\pi^{-}$ mass is consistent with originating from a $\phi\\!\rightarrow K^{+}K^{-}$ decay and the pion is kaon-like according to the RICH detectors. A similar veto is applied to remove $\mathchar 28931\relax^{0}_{b}\\!\rightarrow\mathchar 28931\relax^{*}(1520)\mu^{+}\mu^{-}$ ($\mathchar 28931\relax^{*}(1520)\\!\rightarrow pK^{-}$) decays. There is also a source of background from the decay $B^{+}\\!\rightarrow K^{+}\mu^{+}\mu^{-}$ that appears in the upper mass sideband and has a peaking structure in $\cos\theta_{K}$. This background arises when a $K^{*0}$ candidate is formed using a pion from the other $B$ decay in the event, and is removed by vetoing events that have a $K^{+}\mu^{+}\mu^{-}$ invariant mass in the range $5230<m({K^{+}\mu^{+}\mu^{-}})<5330{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The fraction of combinatorial background candidates removed by this veto is small. After these selection requirements the dominant sources of peaking background are expected to be from the decays $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ (where the kaon or pion is misidentified as a muon and a muon as a pion or kaon), $B^{0}_{s}\\!\rightarrow\phi$$\mu^{+}\mu^{-}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ at the levels of $(0.3\pm 0.1)\%$, $(1.2\pm 0.5)\%$ and $(1.0\pm 1.0)\%$, respectively. The rate of the decay $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ is estimated using the fragmentation fraction $f_{s}/f_{d}$ [22] and assuming the branching fraction of this decay is suppressed by the ratio of CKM elements $|V_{td}/V_{ts}|^{2}$ with respect to $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$. To estimate the systematic uncertainty arising from the assumed $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ signal, the expectation is varied by 100%. Finally, the probability for a decay $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ to be misidentified as $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\\!\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}\mu^{+}\mu^{-}$ is estimated to be $(0.85\pm 0.02)\%$ using simulated events. ## 5 Detector acceptance and selection biases The geometrical acceptance of the detector, the trigger, the event reconstruction and selection can all bias the angular distribution of the selected candidates. At low $q^{2}$ there are large distortions of the angular distribution at extreme values of $\cos\theta_{\ell}$ ($|\cos\theta_{\ell}|\sim 1$). These arise from the requirement that muons have momentum $p{~{}\raise 1.49994pt\hbox{$>$}\kern-8.50006pt\lower 3.50006pt\hbox{$\sim$}~{}}3{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$ to traverse the LHCb muon system. Distortions are also visible in the $\cos\theta_{K}$ angular distribution. They arise from the momentum needed for a track to reach the tracking system downstream of the dipole magnet, and from the impact parameter requirements in the pre-selection. The acceptance in $\cos\theta_{K}$ is asymmetric due to the momentum imbalance between the pion and kaon from the $K^{*0}$ decay in the laboratory frame (due to the boost). Acceptance effects are accounted for, in a model-independent way by weighting candidates by the inverse of their efficiency determined from simulation. The event weighting takes into account the variation of the acceptance in $q^{2}$ to give an unbiased estimate of the observables over the $q^{2}$ bin. The candidate weights are normalised such that they have mean 1.0. The resulting distribution of weights in each $q^{2}$ bin has a root-mean-square in the range $0.2-0.4$. Less than 2% of the candidates have weights larger than 2.0. The weights are determined using a large sample of simulated three-body $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ phase-space decays. They are determined separately in fine bins of $q^{2}$ with widths: $0.1\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$ for $q^{2}<1\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$; $0.2\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$ in the range $1<q^{2}<6\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$; and $0.5\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$ for $q^{2}>6\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$. The width of the $q^{2}$ bins is motivated by the size of the simulated sample and by the rate of variation of the acceptance in $q^{2}$. Inside the $q^{2}$ bins, the angular acceptance is assumed to factorise such that $\varepsilon(\cos\theta_{\ell},\cos\theta_{K},\phi)=\varepsilon(\cos\theta_{\ell})\varepsilon(\cos\theta_{K})\varepsilon(\phi)$. This factorisation is validated at the level of 5% in the phase-space sample. The treatment of the event weights is discussed in more detail in Sec. 7.1, when determining the statistical uncertainty on the angular observables. Event weights are also used to account for the fraction of background candidates that were removed in the lower mass ($m(K^{+}\pi^{-}\mu^{+}\mu^{-})<5230{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$) and upper mass ($m(K^{+}\pi^{-}\mu^{+}\mu^{-})>5330{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$) sidebands by the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $\psi{(2S)}$ vetoes described in Sec. 4 (and shown in Fig. 1). In each $q^{2}$ bin, a linear extrapolation in $q^{2}$ is used to estimate this fraction and the resulting event weights. ## 6 Differential branching fraction The angular and differential branching fraction analyses are performed in six bins of $q^{2}$, which are the same as those used in Ref. [7]. The $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass distribution of candidates in these $q^{2}$ bins is shown in Fig. 2. The number of signal candidates in each of the $q^{2}$ bins is estimated by performing an extended unbinned maximum likelihood fit to the $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass distribution. The signal shape is taken from a fit to the $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ control sample and is parameterised by the sum of two Crystal Ball [23] functions that differ only by the width of the Gaussian component. The combinatorial background is described by an exponential distribution. The decay $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$, which forms a peaking background, is assumed to have a shape identical to that of the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ signal, but shifted in mass by the $B^{0}_{s}-B^{0}$ mass difference [24]. Contributions from the decays $B^{0}_{s}\\!\rightarrow\phi\mu^{+}\mu^{-}$ and $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ (where the $\mu^{-}$ is swapped with the $\pi^{-}$) are also included. The shapes of these backgrounds are taken from samples of simulated events. The sizes of the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$, $B^{0}_{s}\\!\rightarrow\phi\mu^{+}\mu^{-}$ and $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ backgrounds are fixed with respect to the fitted $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ signal yield according to the ratios described in Sec. 4. These backgrounds are varied to evaluate the corresponding systematic uncertainty. The resulting signal yields are given in Table 1. In the full $0.1<q^{2}<19.0\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$ range, the fit yields $883\pm 34$ signal decays. Figure 2: Invariant mass distributions of $K^{+}\pi^{-}\mu^{+}\mu^{-}$ candidates in the six $q^{2}$ bins used in the analysis. The candidates have been weighted to account for the detector acceptance (see text). Contributions from exclusive (peaking) backgrounds are negligible after applying the vetoes described in Sec. 4. The differential branching fraction of the decay $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$, in each $q^{2}$ bin, is estimated by normalising the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ yield, $N_{\text{sig}}$, to the total event yield of the $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ control sample, $N_{K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}$, and correcting for the relative efficiency between the two decays, $\varepsilon_{K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}/\varepsilon_{K^{*0}\mu^{+}\mu^{-}}$, $\frac{\mathrm{d}{\cal B}}{\mathrm{d}q^{2}}=\frac{1}{q^{2}_{\text{max}}-q^{2}_{\text{min}}}\frac{N_{\text{sig}}}{N_{K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}}\frac{\varepsilon_{K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}}{\varepsilon_{K^{*0}\mu^{+}\mu^{-}}}\times{\cal B}(B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu})\times{\cal B}({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\\!\rightarrow\mu^{+}\mu^{-})~{}.$ (5) The branching fractions ${\cal B}(B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu})$ and ${\cal B}({J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\\!\rightarrow\mu^{+}\mu^{-})$ are $(1.31\pm 0.03\pm 0.08)\times 10^{-3}$ [25] and $(5.93\pm 0.06)\times 10^{-2}$ [24], respectively. The efficiency ratio, $\varepsilon_{K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}}/\varepsilon_{K^{*0}\mu^{+}\mu^{-}}$, depends on the unknown angular distribution of the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay. To avoid making any assumption on the angular distribution, the event-by-event weights described in Sec. 5 are used to estimate the average efficiency of the $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ candidates and the signal candidates in each $q^{2}$ bin. ### 6.1 Comparison with theory The resulting differential branching fraction of the decay $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ is shown in Fig. 3 and in Table 1. The bands shown in Fig. 3 indicate the theoretical prediction for the differential branching fraction. The calculation of the bands is described in Ref. [26].222A consistent set of SM predictions, averaged over each $q^{2}$ bin, have recently also been provided by the authors of Ref. [27]. In the low $q^{2}$ region, the calculations are based on QCD factorisation and soft collinear effective theory (SCET) [28], which profit from having a heavy $B^{0}$ meson and an energetic $K^{*0}$ meson. In the soft-recoil, high $q^{2}$ region, an operator product expansion in inverse $b$-quark mass ($1/m_{b}$) and $1/\sqrt{q^{2}}$ is used to estimate the long-distance contributions from quark loops [29, 30]. No theory prediction is included in the region close to the narrow $c\overline{}c$ resonances (the ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $\psi{(2S)}$) where the assumptions from QCD factorisation, SCET and the operator product expansion break down. The treatment of this region is discussed in Ref. [31]. The form- factor calculations are taken from Ref. [32]. A dimensional estimate is made of the uncertainty on the decay amplitudes from QCD factorisation and SCET of $\mathcal{O}(\Lambda_{\text{QCD}}/m_{b})$ [33]. Contributions from light-quark resonances at large recoil (low $q^{2}$) have been neglected. A discussion of these contributions can be found in Ref. [34]. The same techniques are employed in calculations of the angular observables described in Sec. 7. Table 1: Signal yield ($N_{\text{sig}}$) and differential branching fraction ($\mathrm{d}{\cal B}/\mathrm{d}q^{2}$) of the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay in the six $q^{2}$ bins used in this analysis. Results are also presented in the $1<q^{2}<6\mathrm{\,Ge\kern-0.90005ptV}^{2}/c^{4}$ range where theoretical uncertainties are best controlled. The first and second uncertainties are statistical and systematic. The third uncertainty comes from the uncertainty on the $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\\!\rightarrow\mu^{+}\mu^{-}$ branching fractions. The final uncertainty on $\mathrm{d}{\cal B}/\mathrm{d}q^{2}$ comes from an estimate of the pollution from non-$K^{*0}$ $B^{0}\\!\rightarrow K^{+}\pi^{-}\mu^{+}\mu^{-}$ decays in the $792<m({K^{+}\pi^{-}})<992{\mathrm{\,Me\kern-0.90005ptV\\!/}c^{2}}$ mass window (see Sec. 7.3.2). $q^{2}$ $(\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4})$ | $N_{\text{sig}}$ | $\mathrm{d}{\cal B}/\mathrm{d}q^{2}$ $(10^{-7}\mathrm{\,Ge\kern-1.00006ptV}^{-2}c^{4})$ ---|---|--- $\phantom{0}0.10-\phantom{0}2.00$ | $140\pm 13$ | $0.60\pm 0.06\pm 0.05\pm 0.04\,^{+0.00}_{-0.05}$ $\phantom{0}2.00-\phantom{0}4.30$ | $\phantom{0}73\pm 11$ | $0.30\pm 0.03\pm 0.03\pm 0.02\,^{+0.00}_{-0.02}$ $\phantom{0}4.30-\phantom{0}8.68$ | $271\pm 19$ | $0.49\pm 0.04\pm 0.04\pm 0.03\,^{+0.00}_{-0.04}$ $10.09-12.86$ | $168\pm 15$ | $0.43\pm 0.04\pm 0.04\pm 0.03\,^{+0.00}_{-0.03}$ $14.18-16.00$ | $115\pm 12$ | $0.56\pm 0.06\pm 0.04\pm 0.04\,^{+0.00}_{-0.05}$ $16.00-19.00$ | $116\pm 13$ | $0.41\pm 0.04\pm 0.04\pm 0.03\,^{+0.00}_{-0.03}$ $\phantom{0}1.00-\phantom{0}6.00$ | $197\pm 17$ | $0.34\pm 0.03\pm 0.04\pm 0.02\,^{+0.00}_{-0.03}$ Figure 3: Differential branching fraction of the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay as a function of the dimuon invariant mass squared. The data are overlaid with a SM prediction (see text) for the decay (light-blue band). A rate average of the SM prediction across each $q^{2}$ bin is indicated by the dark (purple) rectangular regions. No SM prediction is included in the region close to the narrow $c\overline{}c$ resonances. ### 6.2 Systematic uncertainty The largest sources of systematic uncertainty on the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ differential branching fraction come from the $\sim 6\%$ uncertainty on the combined $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}\\!\rightarrow\mu^{+}\mu^{-}$ branching fractions and from the uncertainty on the pollution of non-$K^{*0}$ decays in the $792<m({K^{+}\pi^{-}})<992{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ mass window. The latter pollution arises from decays where the $K^{+}\pi^{-}$ system is in an S- rather than P-wave configuration. For the decay $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$, the S-wave pollution is known to be at the level of a few percent [35]. The effect of S-wave pollution on the decay $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ is considered in Sec. 7.3.2. No S-wave correction needs to be applied to the yield of $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ decays in the present analysis, since the branching fraction used in the normalisation (from Ref. [25]) corresponds to a measurement of the decay $B^{0}\\!\rightarrow K^{+}\pi^{-}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ over the same $m(K^{+}\pi^{-})$ window used in this analysis. The uncertainty associated with the data-derived corrections to the simulation, which were described in Sec. 2, is estimated to be $1-2\%$. Varying the level of the peaking backgrounds within their uncertainties changes the differential branching fraction by 1% and this variation is taken as a systematic uncertainty. In the simulation a small variation in the $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass resolution is seen between $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ and $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decays at low and high $q^{2}$, due to differences in the decay kinematics. The maximum size of this variation in the simulation is 5%. A conservative systematic uncertainty is assigned by varying the mass resolution of the signal decay by this amount in every $q^{2}$ bin and taking the deviation from the nominal fit as the uncertainty. ## 7 Angular analysis This section describes the analysis of the $\cos\theta_{\ell}$, $\cos\theta_{K}$ and $\hat{\phi}$ distribution after applying the transformations that were described earlier. These transformations reduce the full angular distribution from 11 angular terms to one that only depends on four observables: $A_{\rm FB}$, $F_{\rm L}$, $S_{3}$ and $A_{9}$. The resulting angular distribution is given in Eq. 4 in Sec. 1. In order for Eq. 4 to remain positive in all regions of the allowed phase space, the observables $A_{\rm FB}$, $F_{\rm L}$, $S_{3}$ and $A_{9}$ must satisfy the constraints $|A_{\rm FB}|\leq\frac{3}{4}(1-F_{\rm L})~{},~{}|A_{9}|\leq\frac{1}{2}(1-F_{\rm L})~{}~{}\text{and}~{}~{}|S_{3}|\leq\frac{1}{2}(1-F_{\rm L})~{}.$ These requirements are automatically taken into account if $A_{\rm FB}$ and $S_{3}$ are replaced by the theoretically cleaner transverse observables, $A_{\rm T}^{\rm Re}$ and $A_{\rm T}^{2}$, $A_{\rm FB}=\frac{3}{4}(1-F_{\rm L})A_{\rm T}^{\rm Re}~{}~{}\text{and}~{}~{}S_{3}=\frac{1}{2}(1-F_{\rm L})A_{\rm T}^{2}~{},$ which are defined in the range $[-1,1]$. In each of the $q^{2}$ bins, $A_{\rm FB}$ ($A_{\rm T}^{\rm Re}$), $F_{\rm L}$, $S_{3}$ ($A_{\rm T}^{2}$) and $A_{9}$ are estimated by performing an unbinned maximum likelihood fit to the $\cos\theta_{\ell}$, $\cos\theta_{K}$ and $\hat{\phi}$ distributions of the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ candidates. The $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass of the candidates is also included in the fit to separate between signal- and background-like candidates. The background angular distribution is described using the product of three second-order Chebychev polynomials under the assumption that the background can be factorised into three single angle distributions. This assumption has been validated on the data sidebands ($5350<m({K^{+}\pi^{-}\mu^{+}\mu^{-}})<5600{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$). A dilution factor ($\mathcal{D}=1-2\omega$) is included in the likelihood fit for $A_{\rm FB}$ and $A_{9}$, to account at first order for the small probability ($\omega$) for a decay $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\\!\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}\mu^{+}\mu^{-}$ to be misidentified as $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$. The value of $\omega$ is fixed to $0.85\%$ in the fit (see Sec. 4). Two fits to the dataset are performed: one, with the signal angular distribution described by Eq. 4, to measure $F_{\rm L}$, $A_{\rm FB}$, $S_{3}$ and $A_{9}$ and a second replacing $A_{\rm FB}$ and $S_{3}$ with the observables $A_{\rm T}^{\rm Re}$ and $A_{\rm T}^{2}$. The angular observables vary with $q^{2}$ within the $q^{2}$ bins used in the analysis. The measured quantities therefore correspond to averages over these $q^{2}$ bins. For the transverse observables, where the observable appears alongside $1-F_{\rm L}$ in the angular distribution, the averaging is complicated by the $q^{2}$ dependence of both the observable and $F_{\rm L}$. In this case, the measured quantity corresponds to a weighted average of the transverse observable over $q^{2}$, with a weight $(1-F_{\rm L})\mathrm{d}\Gamma/\mathrm{d}q^{2}$. ### 7.1 Statistical uncertainty on the angular observables The results of the angular fits are presented in Table 2 and in Figs. 4 and 5. The 68% confidence intervals are estimated using pseudo-experiments and the Feldman-Cousins technique [36].333Nuisance parameters are treated according to the “plug-in” method (see, for example, Ref. [37]). This avoids any potential bias on the parameter uncertainty that could have otherwise come from using event weights in the likelihood fit or from boundary issues arising in the fitting. The observables are each treated separately in this procedure. For example, when determining the interval on $A_{\rm FB}$, the observables $F_{\rm L}$, $S_{3}$ and $A_{9}$ are treated as if they were nuisance parameters. At each value of the angular observable being considered, the maximum likelihood estimate of the nuisance parameters (which also include the background parameters) is used when generating the pseudo-experiments. The resulting confidence intervals do not express correlations between the different observables. The treatment of systematic uncertainties on the angular observables is described in Sec. 7.3. The final column of Table 2 contains the p-value of the SM point in each $q^{2}$ bin, which is defined as the probability to observe a difference between the log-likelihood of the SM point compared to the best fit point larger than that seen in the data. They are estimated in a similar way to the Feldman-Cousins intervals by: generating a large ensemble of pseudo- experiments, with all of the angular observables fixed to the central value of the SM prediction; and performing two fits to the pseudo-experiments, one with all of the angular observables fixed to their SM values and one varying them freely. The data are then fitted in a similar manner and the p-value estimated by comparing the ratio of likelihoods obtained for the data to those of the pseudo-experiments. The p-values lie in the range $0.18-0.72$ and indicate good agreement with the SM hypothesis. As a cross-check, a third fit is also performed in which the sign of the angle $\phi$ for $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decays is flipped to measure $S_{9}$ in place of $A_{9}$ in the angular distribution. The term $S_{9}$ is expected to be suppressed by the size of the strong phases and be close to zero in every $q^{2}$ bin. $A_{\rm FB}$ has also been cross- checked by performing a counting experiment in bins of $q^{2}$. A consistent result is obtained in every bin. Table 2: Fraction of longitudinal polarisation of the $K^{*0}$, $F_{\rm L}$, dimuon system forward-backward asymmetry, $A_{\rm FB}$ and the angular observables $S_{3}$, $S_{9}$ and $A_{9}$ from the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay in the six bins of dimuon invariant mass squared, $q^{2}$, used in the analysis. The lower table includes the transverse observables $A_{\rm T}^{\rm Re}$ and $A_{\rm T}^{2}$, which have reduced form-factor uncertainties. Results are also presented in the $1<q^{2}<6\mathrm{\,Ge\kern-0.90005ptV}^{2}/c^{4}$ range where theoretical uncertainties are best controlled. In the large-recoil bin, $0.1<q^{2}<2.0\mathrm{\,Ge\kern-0.90005ptV}^{2}/c^{4}$, two results are given to highlight the size of the correction needed to account for changes in the angular distribution that occur when $q^{2}{~{}\raise 1.34995pt\hbox{$<$}\kern-7.65005pt\lower 3.15005pt\hbox{$\sim$}~{}}1\mathrm{\,Ge\kern-0.90005ptV}^{2}/c^{4}$ (see Sec. 7.2). The value of $F_{\rm L}$ is independent of this correction. The final column contains the p-value for the SM point (see text). No SM prediction, and consequently no p-value, is available for the $10.09<q^{2}<12.86\mathrm{\,Ge\kern-0.90005ptV}^{2}/c^{4}$ range. $q^{2}$ $(\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4})$ | $F_{\rm L}$ | $A_{\rm FB}$ | $S_{3}$ | $S_{9}$ ---|---|---|---|--- $0.10-2.00$ | $0.37\,^{+0.10}_{-0.09}\,{}^{+0.04}_{-0.03}$ | $-0.02\,^{+0.12}_{-0.12}\,{}^{+0.01}_{-0.01}$ | $-0.04\,^{+0.10}_{-0.10}\,{}^{+0.01}_{-0.01}$ | $\phantom{-}0.05\,^{+0.10}_{-0.09}\,{}^{+0.01}_{-0.01}$ (uncorrected) | | | | $0.10-2.00$ | $0.37\,^{+0.10}_{-0.09}\,{}^{+0.04}_{-0.03}$ | $-0.02\,_{-0.13}^{+0.13}\,{}_{-0.01}^{+0.01}$ | $-0.05\,_{-0.12}^{+0.12}\,{}_{-0.01}^{+0.01}$ | $\phantom{-}0.06\,_{-0.12}^{+0.12}\,{}_{-0.01}^{+0.01}$ (corrected) | | | | $2.00-4.30$ | $0.74\,^{+0.10}_{-0.09}\,{}^{+0.02}_{-0.03}$ | $-0.20\,^{+0.08}_{-0.08}\,{}^{+0.01}_{-0.01}$ | $-0.04\,^{+0.10}_{-0.06}\,{}^{+0.01}_{-0.01}$ | $-0.03\,^{+0.11}_{-0.04}\,{}^{+0.01}_{-0.01}$ $4.30-8.68$ | $0.57\,^{+0.07}_{-0.07}\,{}^{+0.03}_{-0.03}$ | $\phantom{-}0.16\,^{+0.06}_{-0.05}\,{}^{+0.01}_{-0.01}$ | $\phantom{-}0.08\,^{+0.07}_{-0.06}\,{}^{+0.01}_{-0.01}$ | $\phantom{-}0.01\,^{+0.07}_{-0.08}\,{}^{+0.01}_{-0.01}$ $10.09-12.86$ | $0.48\,^{+0.08}_{-0.09}\,{}^{+0.03}_{-0.03}$ | $\phantom{-}0.28\,^{+0.07}_{-0.06}\,{}^{+0.02}_{-0.02}$ | $-0.16\,^{+0.11}_{-0.07}\,{}^{+0.01}_{-0.01}$ | $-0.01\,^{+0.10}_{-0.11}\,{}^{+0.01}_{-0.01}$ $14.18-16.00$ | $0.33\,^{+0.08}_{-0.07}\,{}^{+0.02}_{-0.03}$ | $\phantom{-}0.51\,^{+0.07}_{-0.05}\,{}^{+0.02}_{-0.02}$ | $\phantom{-}0.03\,^{+0.09}_{-0.10}\,{}^{+0.01}_{-0.01}$ | $\phantom{-}0.00\,^{+0.09}_{-0.08}\,{}^{+0.01}_{-0.01}$ $16.00-19.00$ | $0.38\,^{+0.09}_{-0.07}\,{}^{+0.03}_{-0.03}$ | $\phantom{-}0.30\,^{+0.08}_{-0.08}\,{}^{+0.01}_{-0.02}$ | $-0.22\,^{+0.10}_{-0.09}\,{}^{+0.02}_{-0.01}$ | $\phantom{-}0.06\,^{+0.11}_{-0.10}\,{}^{+0.01}_{-0.01}$ $1.00-6.00$ | $0.65\,^{+0.08}_{-0.07}\,{}^{+0.03}_{-0.03}$ | $-0.17\,^{+0.06}_{-0.06}\,{}^{+0.01}_{-0.01}$ | $\phantom{-}0.03\,^{+0.07}_{-0.07}\,{}^{+0.01}_{-0.01}$ | $\phantom{-}0.07\,^{+0.09}_{-0.08}\,{}^{+0.01}_{-0.01}$ $q^{2}$ $(\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4})$ | $A_{9}$ | $A_{\rm T}^{2}$ | $A_{\rm T}^{\rm Re}$ | p-value $0.10-2.00$ | $\phantom{-}0.12\,_{-0.09}^{+0.09}\,{}^{+0.01}_{-0.01}$ | $-0.14\,_{-0.30}^{+0.34}\,{}^{+0.02}_{-0.02}$ | $-0.04\,_{-0.24}^{+0.26}\,{}^{+0.02}_{-0.01}$ | 0.18 (uncorrected) | | | | $0.10-2.00$ | $\phantom{-}0.14\,_{-0.11}^{+0.11}\,{}_{-0.01}^{+0.01}$ | $-0.19\,_{-0.35}^{+0.40}\,{}_{-0.02}^{+0.02}$ | $-0.06\,_{-0.27}^{+0.29}\,{}_{-0.01}^{+0.02}$ | – (corrected) | | | | $2.00-4.30$ | $\phantom{-}0.06\,_{-0.08}^{+0.12}\,{}^{+0.01}_{-0.01}$ | $-0.29\,_{-0.46}^{+0.65}\,{}^{+0.02}_{-0.03}$ | $-1.00\,_{-0.00}^{+0.13}\,{}^{+0.04}_{-0.00}$ | 0.57 $4.30-8.68$ | $-0.13\,_{-0.07}^{+0.07}\,{}^{+0.01}_{-0.01}$ | $\phantom{-}0.36\,_{-0.31}^{+0.30}\,{}^{+0.03}_{-0.03}$ | $\phantom{-}0.50\,_{-0.14}^{+0.16}\,{}^{+0.01}_{-0.03}$ | 0.71 $10.09-12.86$ | $\phantom{-}0.00\,_{-0.11}^{+0.11}\,{}^{+0.01}_{-0.01}$ | $-0.60\,_{-0.27}^{+0.42}\,{}^{+0.05}_{-0.02}$ | $\phantom{-}0.71\,_{-0.15}^{+0.15}\,{}^{+0.01}_{-0.03}$ | – $14.18-16.00$ | $-0.06\,_{-0.08}^{+0.11}\,{}^{+0.01}_{-0.01}$ | $\phantom{-}0.07\,_{-0.28}^{+0.26}\,{}^{+0.02}_{-0.02}$ | $\phantom{-}1.00\,_{-0.05}^{+0.00}\,{}^{+0.00}_{-0.02}$ | 0.38 $16.00-19.00$ | $\phantom{-}0.00\,_{-0.10}^{+0.11}\,{}^{+0.01}_{-0.01}$ | $-0.71\,_{-0.26}^{+0.35}\,{}^{+0.06}_{-0.04}$ | $\phantom{-}0.64\,_{-0.15}^{+0.15}\,{}^{+0.01}_{-0.02}$ | 0.28 $1.00-6.00$ | $\phantom{-}0.03\,^{+0.08}_{-0.08}\,{}^{+0.01}_{-0.01}$ | $\phantom{-}0.15\,_{-0.41}^{+0.39}\,{}^{+0.03}_{-0.03}$ | $-0.66\,_{-0.22}^{+0.24}\,{}^{+0.04}_{-0.01}$ | 0.72 Figure 4: Fraction of longitudinal polarisation of the $K^{*0}$, $F_{\rm L}$, dimuon system forward-backward asymmetry, $A_{\rm FB}$ and the angular observables $S_{3}$ and $A_{9}$ from the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay as a function of the dimuon invariant mass squared, $q^{2}$. The lowest $q^{2}$ bin has been corrected for the threshold behaviour described in Sec. 7.2. The experimental data points overlay the SM prediction described in the text. A rate average of the SM prediction across each $q^{2}$ bin is indicated by the dark (purple) rectangular regions. No theory prediction is included for $A_{9}$, which is vanishingly small in the SM. Figure 5: Transverse asymmetries $A_{\rm T}^{2}$ and $A_{\rm T}^{\rm Re}$ as a function of the dimuon invariant mass squared, $q^{2}$, in the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay. The lowest $q^{2}$ bin has been corrected for the threshold behaviour described in Sec. 7.2. The experimental data points overlay the SM prediction that is described in the text. A rate average of the SM prediction across each $q^{2}$ bin is indicated by the dark (purple) rectangular regions. ### 7.2 Angular distribution at large recoil In the previous section, when fitting the angular distribution, it was assumed that the muon mass was small compared to that of the dimuon system. Whilst this assumption is valid for $q^{2}>2\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$, it breaks down in the $0.1<q^{2}<2.0\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$ bin. In this bin, the angular terms receive an additional $q^{2}$ dependence, proportional to $\frac{1-{4m_{\mu}^{2}}/{q^{2}}}{1+2m_{\mu}^{2}/q^{2}}~{}~{}\text{or}~{}~{}\frac{(1-4m_{\mu}^{2}/q^{2})^{1/2}}{1+2m_{\mu}^{2}/q^{2}}~{},$ (6) depending on the angular term $I_{j}$ [1]. As $q^{2}$ tends to zero, these threshold terms become small and reduce the sensitivity to the angular observables. Neglecting these terms leads to a bias in the measurement of the angular observables. Previous analyses by LHCb, BaBar, Belle and CDF have not considered this effect. The fraction of longitudinal polarisation of the $K^{*0}$ meson, $F_{\rm L}$, is the only observable that is unaffected by the additional terms; sensitivity to $F_{\rm L}$ arises mainly through the shape of the $\cos\theta_{K}$ distribution and this shape remains the same whether the threshold terms are included or not. In order to estimate the size of the bias, it is assumed that $A_{9}$ and $A_{T}^{2}$ are constant over the $0.1<q^{2}<2\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$ region and $A_{\rm T}^{\rm Re}$ rises linearly (with the constraint that $A_{\rm T}^{\rm Re}=0$ at $q^{2}=0$). Even though $F_{\rm L}$ is in itself unbiased, an assumption needs to be made about the $q^{2}$ dependence of $F_{\rm L}$ when determining the bias introduced on the other observables. An empirical model, $F_{\rm L}(q^{2})=\frac{aq^{2}}{1+aq^{2}}~{}~{},$ (7) is used. This functional form displays the correct behaviour since it tends to zero as $q^{2}$ tends to zero and rises slowly over the $q^{2}$ bin, reflecting the dominance of the photon penguin at low $q^{2}$ and the transverse polarisation of the photon. The coefficient $a=0.67\,^{+0.54}_{-0.30}$ is estimated by assigning each (background subtracted) signal candidate a value of $F_{\rm L}$ according to Eq. 7, averaging $F_{\rm L}$ over the candidates in the $q^{2}$ bin and comparing this to the value that is obtained from the fit to the $0.1<q^{2}<2.0\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$ region (in Table 2). Different values of the coefficient $a$ are tried until the two estimates agree. To remain model independent, the bias on the angular observables is similarly estimated by summing over the observed candidates. A concrete example of how this is done is given in Appendix B for the observable $A_{\rm T}^{2}$. The typical size of the correction is $10-20\%$. The values of the angular observables, after correcting for the bias, are included in Table 2. A similar factor is also applied to the statistical uncertainty on the fit parameters to scale them accordingly. No systematic uncertainty is assigned to this correction. The procedure to calculate the size of the bias that is introduced by neglecting the threshold terms has been validated using large samples of simulated events, generated according to the SM prediction and several other scenarios in which large deviations from the SM expectation of the angular observables are possible. In all cases an unbiased estimate of the angular observables is obtained after applying the correction procedure. Different hypotheses for the $q^{2}$ dependence of $F_{\rm L}$, $A_{\rm FB}$ and $A_{\rm T}^{\rm Re}$ do not give large variations in the size of the correction factors. ### 7.3 Systematic uncertainties in the angular analysis Sources of systematic uncertainty are considered if they introduce either an angular or $q^{2}$ dependent bias to the acceptance correction. Moreover, three assumptions have been made that may affect the interpretation of the result of the fit to the $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass or angular distribution: that $q^{2}\gg 4m_{\mu}^{2}$; that there are equal numbers of $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decays; and that there is no contribution from non-$K^{*0}$ $B^{0}\\!\rightarrow K^{+}\pi^{-}\mu^{+}\mu^{-}$ decays in the $792<m({K^{+}\pi^{-}})<992{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ mass window. The first assumption was addressed in Sec. 7.2 and no systematic uncertainty is assigned to this correction. The number of $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ candidates in the data set is very similar [38]. The resulting systematic uncertainty is addressed in Sec. 7.3.1. The final assumption is discussed in Sec. 7.3.2 below. The full fitting procedure has been tested on $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ decays. In this larger data sample, $A_{\rm FB}$ is found to be consistent with zero (as expected) and the other observables are in agreement with the results of Ref. [39]. There is however a small discrepancy between the expected parabolic shape of the $\cos\theta_{K}$ distribution and the distribution of the $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ candidates after weighting the candidates to correct for the detector acceptance. This percent-level discrepancy could point to a bias in the acceptance model. To account for this discrepancy, and any breakdown in the assumption that the efficiencies in $\cos\theta_{\ell}$, $\cos\theta_{K}$ and $\phi$ are independent, systematic variations of the weights are tried in which they are conservatively rescaled by 10% at the edges of $\cos\theta_{\ell}$, $\cos\theta_{K}$ and $\phi$ with respect to the centre. Several possible variations are explored, including variations that are non- factorisable. The variation which has the largest effect on each of the angular observables is assigned as a systematic uncertainty. The resulting systematic uncertainties are at the level of $0.01-0.03$ and are largest for the transverse observables. The uncertainties on the signal mass model have little effect on the angular observables. Of more importance are potential sources of uncertainty on the background shape. In the angular fit the background is modelled as the product of three second-order polynomials, the parameters of which are allowed to vary freely in the likelihood fit. This model describes the data well in the sidebands. As a cross-check, alternative fits are performed both using higher order polynomials and by fixing the shape of the background to be flat in $\cos\theta_{\ell}$, $\cos\theta_{K}$ and $\hat{\phi}$. The largest shifts in the angular observables occur for the flat background model and are at the level of $0.01-0.06$ and $0.02-0.25$ for the transverse observables (they are at most 65% of the statistical uncertainty). These variations are extreme modifications of the background model and are not considered further as sources of systematic uncertainty. The angular distributions of the decays $B^{0}_{s}\\!\rightarrow\phi\mu^{+}\mu^{-}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ are both poorly known. The decay $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}_{s}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ is yet to be observed. A first measurement of $B^{0}_{s}\\!\rightarrow\phi\mu^{+}\mu^{-}$ has been made in Ref. [40]. In the likelihood fit to the angular distribution these backgrounds are neglected. A conservative systematic uncertainty on the angular observables is assigned at the level of ${~{}\raise 1.49994pt\hbox{$<$}\kern-8.50006pt\lower 3.50006pt\hbox{$\sim$}~{}}0.01$ by assuming that the peaking backgrounds have an identical shape to the signal, but have an angular distribution in which each of the observables is either maximal or minimal. Systematic variations are also considered for the data-derived corrections to the simulated events. For example, the muon identification efficiency, which is derived from data using a tag-and-probe approach with ${J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ decays, is varied within its uncertainty in opposite direction for high ($p>10{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$) and low ($p<10{\mathrm{\,Ge\kern-1.00006ptV\\!/}c}$) momentum muons. Similar variations are applied to the other data-derived corrections, yielding a combined systematic uncertainty at the level of $0.01-0.02$ on the angular observables. The correction needed to account for differences between data and simulation in the $B^{0}$ momentum spectrum is small. If this correction is neglected, the angular observables vary by at most 0.01. This variation is associated as a systematic uncertainty. The systematic uncertainties arising from the variations of the angular acceptance are assessed using pseudo-experiments that are generated with one acceptance model and fitted according to a different model. Consistent results are achieved by varying the event weights applied to the data and repeating the likelihood fit. A summary of the different contributions to the total systematic uncertainty can be found in Table 3. The systematic uncertainty on the angular observables in Table 2 is the result of adding these contributions in quadrature. Table 3: Systematic contributions to the angular observables. The values given are the magnitude of the maximum contribution from each source of systematic uncertainty, taken across the six principal $q^{2}$ bins used in the analysis. Source | $A_{\rm FB}$ | $F_{\rm L}$ | $S_{3}$ | $S_{9}$ | $A_{9}$ | $A_{\rm T}^{2}$ | $A_{\rm T}^{\rm Re}$ ---|---|---|---|---|---|---|--- Acceptance model | $\phantom{<}0.02$ | $\phantom{<}0.03$ | $\phantom{<}0.01$ | $<0.01$ | $<0.01$ | $\phantom{<}0.02$ | $\phantom{<}0.01$ Mass model | $<0.01$ | $<0.01$ | $<0.01$ | $<0.01$ | $<0.01$ | $<0.01$ | $<0.01$ $B^{0}\rightarrow\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ mis-id | $<0.01$ | $<0.01$ | $<0.01$ | $<0.01$ | $\phantom{<}0.01$ | $<0.01$ | $<0.01$ Data-simulation diff. | $\phantom{<}0.01$ | $\phantom{<}0.03$ | $\phantom{<}0.01$ | $<0.01$ | $<0.01$ | $\phantom{<}0.03$ | $\phantom{<}0.01$ Kinematic reweighting | $<0.01$ | $\phantom{<}0.01$ | $<0.01$ | $<0.01$ | $<0.01$ | $\phantom{<}0.01$ | $<0.01$ Peaking backgrounds | $\phantom{<}0.01$ | $\phantom{<}0.01$ | $\phantom{<}0.01$ | $\phantom{<}0.01$ | $\phantom{<}0.01$ | $\phantom{<}0.01$ | $\phantom{<}0.01$ S-wave | $\phantom{<}0.01$ | $\phantom{<}0.01$ | $\phantom{<}0.02$ | $\phantom{<}0.01$ | $<0.01$ | $\phantom{<}0.05$ | $\phantom{<}0.04$ $B^{0}$-$\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ asymmetries | $<0.01$ | $<0.01$ | $<0.01$ | $<0.01$ | $<0.01$ | $<0.01$ | $<0.01$ #### 7.3.1 Production, detection and direct ${\boldmath C\\!P}$ asymmetries If the number of $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decays are not equal in the likelihood fit then the terms in the angular distribution no longer correspond to pure $C\\!P$ averages or asymmetries. They instead correspond to admixtures of the two, e.g. $S_{3}^{\text{obs}}\approx S_{3}-A_{3}\left(\mathcal{A}_{\rm CP}+\kappa\mathcal{A}_{\rm P}+\mathcal{A}_{\rm D}\right)~{},$ (8) where $\mathcal{A}_{\rm CP}$ is the direct $C\\!P$ asymmetry between $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}\\!\rightarrow\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}\mu^{+}\mu^{-}$ decays; $\mathcal{A}_{\rm P}$ is the production asymmetry between $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ mesons, which is diluted by a factor $\kappa$ due to $B^{0}-\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ mixing; and $\mathcal{A}_{\rm D}$ is the detection asymmetry between the $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decays (which might be non-zero due to differences in the interaction cross-section with matter between $K^{+}$ and $K^{-}$ mesons). In practice, the production and detection asymmetries are small in LHCb and $\mathcal{A}_{\rm CP}$ is measured to be $\mathcal{A}_{\rm CP}=-0.072\pm 0.040\pm 0.005$ [38], which is consistent with zero. Combined with the expected small size of the $C\\!P$ asymmetry or $C\\!P$-averaged counterparts of the angular observables measured in this analysis, this reduces any systematic bias to $<0.01$. #### 7.3.2 Influence of S-wave interference on the angular distribution The presence of a non-$K^{*0}$ $B^{0}\\!\rightarrow K^{+}\pi^{-}\mu^{+}\mu^{-}$ component, where the $K^{+}\pi^{-}$ system is in an S-wave configuration, modifies Eq. 4 to $\begin{split}\frac{1}{\mathrm{d}\Gamma^{\prime}/\mathrm{d}q^{2}}\frac{\mathrm{d}^{4}\Gamma^{\prime}}{\mathrm{d}q^{2}\,\mathrm{d}\cos\theta_{\ell}\,\mathrm{d}\cos\theta_{K}\,\mathrm{d}\hat{\phi}}=&~{}(1-F_{\rm S})\left[\frac{1}{\mathrm{d}\Gamma/\mathrm{d}q^{2}}\frac{\mathrm{d}^{4}\Gamma}{\mathrm{d}q^{2}\,\mathrm{d}\cos\theta_{\ell}\,\mathrm{d}\cos\theta_{K}\,\mathrm{d}\hat{\phi}}\right]\\\ &~{}~{}\,+\frac{9}{16\pi}\left[\frac{2}{3}F_{\rm S}(1-\cos^{2}\theta_{\ell})+\frac{4}{3}A_{\rm S}\cos\theta_{K}(1-\cos^{2}\theta_{\ell})\right]~{},\\\ \end{split}$ (9) where $F_{\rm S}$ is the fraction of $B^{0}\\!\rightarrow K^{+}\pi^{-}\mu^{+}\mu^{-}$ S-wave in the $792<m({K^{+}\pi^{-}})<992{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$ window. The partial width, $\Gamma^{\prime}$, is the sum of the partial widths for the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ decay and the $B^{0}\\!\rightarrow K^{+}\pi^{-}\mu^{+}\mu^{-}$ S-wave. A forward-backward asymmetry in $\cos\theta_{K}$, $A_{\rm S}$, arises due to the interference between the longitudinal amplitude of the $K^{*0}$ and the S-wave amplitude [41, 42, 43, 44]. The S-wave is neglected in the results given in Table 2. To estimate the size of the S-wave component, and the impact it might have on the $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ angular analysis, the phase shift of the $K^{*0}$ Breit-Wigner function around the $K^{*0}$ pole mass is exploited. Instead of measuring $F_{\rm S}$ directly, the average value of $A_{\rm S}$ is measured in two bins of $K^{+}\pi^{-}$ invariant mass, one below and one above the $K^{*0}$ pole mass. If the magnitude and phase of the S-wave amplitude are assumed to be independent of the $K^{+}\pi^{-}$ invariant mass in the range $792<m({K^{+}\pi^{-}})<992{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$, and the P-wave amplitude is modelled by a Breit-Wigner function, the two $A_{\rm S}$ values can then be used to determine the real and imaginary components of the S-wave amplitude (and $F_{\rm S}$).444In the decay $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ there are actually two pairs of amplitudes involved, left- and right-handed longitudinal amplitudes and left- and right-handed S-wave amplitudes (where the handedness refers to the chirality of the dimuon system). In order to exploit the interference and determine $F_{\rm S}$ it is assumed that the phase difference between the two left-handed amplitudes is the same as the difference between the two right-handed amplitudes, as expected from the expression for the amplitudes in Refs. [41, 42]. For a small S-wave amplitude, the pure S-wave contribution, $F_{\rm S}$, to Eq. 9 has only a small effect on the angular distribution. The magnitude of $A_{\rm S}$ arising from the interference between the S- and P-wave can however still be sizable and this information is exploited by this phase-shift method. The method, described above, is statistically more precise than fitting Eq. 9 directly for $A_{\rm S}$ and $F_{\rm S}$ as uncorrelated variables. For the $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ control mode, the gain in statistical precision is approximately a factor of three. Due to the limited number of signal candidates that are available in each of the $q^{2}$ bins, the bins are merged in order to estimate the S-wave fraction. In the range $0.1<q^{2}<19\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$, $F_{\rm S}=0.03\pm 0.03$, which corresponds to an upper limit of $F_{\rm S}<0.04$ at $68\%$ confidence level (CL). The procedure has also been performed in the region $1<q^{2}<6\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$, where both $F_{\rm L}$ and $F_{\rm S}$ are expected to be enhanced. This gives $F_{\rm S}=0.04\pm 0.04$ and an upper limit of $F_{\rm S}<0.07$ at $68\%$ CL. In order to be conservative, $F_{\rm S}=0.07$ is used to estimate a systematic uncertainty on the differential branching fraction and angular analyses. The $B^{0}\\!\rightarrow K^{*0}{J\mskip-3.0mu/\mskip-2.0mu\psi\mskip 2.0mu}$ data has been used to validate the method. For the differential branching fraction analysis, $F_{\rm S}$ scales the observed branching fraction by up to 7%. For the angular analysis, $F_{\rm S}$ dilutes $A_{\rm FB}$, $S_{3}$ and $A_{9}$. The impact on $F_{\rm L}$ however, is less easy to disentangle. To assess the possible size of a systematic bias, pseudo-experiments have been carried out generating with, and fitting without, the S-wave contribution in the likelihood fit. The typical bias on the angular observables due to the S-wave is $0.01-0.03$. ## 8 Forward-backward asymmetry zero-crossing point In the SM, $A_{\rm FB}$ changes sign at a well defined value of $q^{2}$, $q^{2}_{0}$, whose prediction is largely free from form-factor uncertainties [3]. It is non-trivial to estimate $q^{2}_{0}$ from the angular fits to the data in the different $q^{2}$ bins, due to the large size of the bins involved. Instead, $A_{\rm FB}$ can be estimated by counting the number of forward-going ($\cos\theta_{\ell}>0$) and backward-going ($\cos\theta_{\ell}<0$) candidates and $q^{2}_{0}$ determined from the resulting distribution of $A_{\rm FB}(q^{2})$. The $q^{2}$ distribution of the forward- and backward-going candidates, in the range $1.0<q^{2}<7.8\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$, is shown in Fig. 6. To make a precise measurement of the zero-crossing point a polynomial fit, $P(q^{2})$, is made to the $q^{2}$ distributions of these candidates. The $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass is included in the fit to separate signal from background. If $P_{\rm F}(q^{2})$ describes the $q^{2}$ dependence of the forward-going, and $P_{\rm B}(q^{2})$ the backward-going signal decays, then $A_{\rm FB}(q^{2})=\frac{P_{\rm F}(q^{2})-P_{\rm B}(q^{2})}{P_{\rm F}(q^{2})+P_{\rm B}(q^{2})}~{}~{}.$ (10) The zero-crossing point of $A_{\rm FB}$ is found by solving for the value of $q^{2}$ at which $A_{\rm FB}(q^{2})$ is zero. Using third-order polynomials to describe both the $q^{2}$ dependence of the signal and the background, the zero-crossing point is found to be $q_{0}^{2}=4.9\pm 0.9\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}~{}~{}.$ The uncertainty on $q^{2}_{0}$ is determined using a bootstrapping technique [45]. The zero-crossing point is largely independent of the polynomial order and the $q^{2}$ range that is used. This value is consistent with SM predictions, which are typically in the range $3.9-4.4\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$ [46, 47, 48] and have relative uncertainties below the 10% level, for example, $q_{0}^{2}=4.36\,^{+0.33}_{-0.31}\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$ [47]. The systematic uncertainty on the zero-crossing point of the forward-backward asymmetry is negligible compared to the statistical uncertainty. To generate a large systematic bias, it would be necessary to create an asymmetric acceptance effect in $\cos\theta_{\ell}$ that is not canceled when combining $B^{0}$ and $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decays. The combined systematic uncertainty is at the level of $\pm 0.05\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$. Figure 6: Dimuon invariant mass squared, $q^{2}$, distribution of forward- going (left) and backward-going (right) candidates in the $K^{+}\pi^{-}\mu^{+}\mu^{-}$ invariant mass window $5230<m(K^{+}\pi^{-}\mu^{+}\mu^{-})<5330{\mathrm{\,Me\kern-1.00006ptV\\!/}c^{2}}$. The polynomial fit to the signal and background distributions in $q^{2}$ is overlaid. ## 9 Conclusions In summary, using a data sample corresponding to 1.0$\mbox{\,fb}^{-1}$ of integrated luminosity, collected by the LHCb experiment in 2011, the differential branching fraction, $\mathrm{d}{\cal B}/\mathrm{d}q^{2}$, of the decay $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ has been measured in bins of $q^{2}$. Measurements of the angular observables, $A_{\rm FB}$ ($A_{\rm T}^{\rm Re}$), $F_{L}$, $S_{3}$ ($A_{\rm T}^{2}$) and $A_{9}$ have also been performed in the same $q^{2}$ bins. The complete set of results obtained in this paper are provided in Tables 1 and 2. These are the most precise measurements of $\mathrm{d}$$\cal B$/$\mathrm{d}$$q^{2}$ and the angular observables to date. All of the observables are consistent with SM expectations and together put stringent constraints on the contributions from new particles to $b\rightarrow s$ flavour changing neutral current processes. A bin-by-bin comparison of the reduced angular distribution with the SM hypothesis indicates an excellent agreement with p-values between 18 and 72%. Finally, a first measurement of the zero-crossing point of the forward- backward asymmetry has also been performed, yielding $q_{0}^{2}=4.9\pm 0.9\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$. This measurement is again consistent with SM expectations. ## Acknowledgements We express our gratitude to our colleagues in the CERN accelerator departments for the excellent performance of the LHC. We thank the technical and administrative staff at the LHCb institutes. We acknowledge support from CERN and from the national agencies: CAPES, CNPq, FAPERJ and FINEP (Brazil); NSFC (China); CNRS/IN2P3 and Region Auvergne (France); BMBF, DFG, HGF and MPG (Germany); SFI (Ireland); INFN (Italy); FOM and NWO (The Netherlands); SCSR (Poland); MEN/IFA (Romania); MinES, Rosatom, RFBR and NRC “Kurchatov Institute” (Russia); MinECo, XuntaGal and GENCAT (Spain); SNSF and SER (Switzerland); NAS Ukraine (Ukraine); STFC (United Kingdom); NSF (USA). We also acknowledge the support received from the ERC under FP7. The Tier1 computing centres are supported by IN2P3 (France), KIT and BMBF (Germany), INFN (Italy), NWO and SURF (The Netherlands), PIC (Spain), GridPP (United Kingdom). We are thankful for the computing resources put at our disposal by Yandex LLC (Russia), as well as to the communities behind the multiple open source software packages that we depend on. Appendix ## Appendix A Angular basis Figure 7: Graphical representation of the angular basis used for $B^{0}\\!\rightarrow K^{*0}\mu^{+}\mu^{-}$ and $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}\\!\rightarrow\kern 1.79997pt\overline{\kern-1.79997ptK}{}^{*0}\mu^{+}\mu^{-}$ decays in this paper. The notation $\hat{n}_{ab}$ is used to represent the normal to the plane containing particles $a$ and $b$ in the $B^{0}$ (or $\kern 1.61993pt\overline{\kern-1.61993ptB}{}^{0}$) rest frame. An explicit description of the angular basis is given in the text. The angular basis used in this paper is illustrated in Fig. 7. The angle $\theta_{\ell}$ is defined as the angle between the direction of the $\mu^{+}$ ($\mu^{-}$) in the dimuon rest frame and the direction of the dimuon in the $B^{0}$ ($\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$) rest frame. The angle $\theta_{K}$ is defined as the angle between the direction of the kaon in the $K^{*0}$ ($\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}$) rest frame and the direction of the $K^{*0}$ ($\kern 1.99997pt\overline{\kern-1.99997ptK}{}^{*0}$) in the $B^{0}$ ($\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$) rest frame. The angle $\phi$ is the angle between the plane containing the $\mu^{+}$ and $\mu^{-}$ and the plane containing the kaon and pion from the $K^{*0}$. Explicitly, $\cos\theta_{\ell}$ and $\cos\theta_{K}$ are defined as $\cos\theta_{\ell}=\left(\hat{p}_{\mu^{+}}^{(\mu^{+}\mu^{-})}\right)\cdot\left(\hat{p}_{\mu^{+}\mu^{-}}^{(B^{0})}\right)=\left(\hat{p}_{\mu^{+}}^{(\mu^{+}\mu^{-})}\right)\cdot\left(-\hat{p}_{B^{0}}^{(\mu^{+}\mu^{-})}\right)~{},$ (11) $\cos\theta_{K}=\left(\hat{p}_{K^{+}}^{(K^{*0})}\right)\cdot\left(\hat{p}_{K^{*0}}^{(B^{0})}\right)=\left(\hat{p}_{K^{+}}^{(K^{*0})}\right)\cdot\left(-\hat{p}_{B^{0}}^{(K^{*0})}\right)$ (12) for the $B^{0}$ and $\cos\theta_{\ell}=\left(\hat{p}_{\mu^{-}}^{(\mu^{+}\mu^{-})}\right)\cdot\left(\hat{p}_{\mu^{+}\mu^{-}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\right)=\left(\hat{p}_{\mu^{-}}^{(\mu^{+}\mu^{-})}\right)\cdot\left(-\hat{p}_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}^{(\mu^{+}\mu^{-})}\right)~{},$ (13) $\cos\theta_{K}=\left(\hat{p}_{K^{-}}^{(K^{*0})}\right)\cdot\left(\hat{p}_{K^{*0}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\right)=\left(\hat{p}_{K^{-}}^{(K^{*0})}\right)\cdot\left(-\hat{p}_{\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0}}^{(K^{*0})}\right)$ (14) for the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decay. The definition of the angle $\phi$ is given by $\cos\phi=\left(\hat{p}_{\mu^{+}}^{(B^{0})}\times\hat{p}_{\mu^{-}}^{(B^{0})}\right)\cdot\left(\hat{p}_{K^{+}}^{(B^{0})}\times\hat{p}_{\pi^{-}}^{(B^{0})}\right)~{},$ (15) $\sin\phi=\left[\left(\hat{p}_{\mu^{+}}^{(B^{0})}\times\hat{p}_{\mu^{-}}^{(B^{0})}\right)\times\left(\hat{p}_{K^{+}}^{(B^{0})}\times\hat{p}_{\pi^{-}}^{(B^{0})}\right)\right]\cdot\hat{p}_{K^{*0}}^{(B^{0})}$ (16) for the $B^{0}$ and $\cos\phi=\left(\hat{p}_{\mu^{-}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\times\hat{p}_{\mu^{+}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\right)\cdot\left(\hat{p}_{K^{-}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\times\hat{p}_{\pi^{+}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\right)~{},$ (17) $\sin\phi=-\left[\left(\hat{p}_{\mu^{-}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\times\hat{p}_{\mu^{+}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\right)\times\left(\hat{p}_{K^{-}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\times\hat{p}_{\pi^{+}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}\right)\right]\cdot\hat{p}_{\kern 1.39998pt\overline{\kern-1.39998ptK}{}^{*0}}^{(\kern 1.25995pt\overline{\kern-1.25995ptB}{}^{0})}$ (18) for the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decay. The $\hat{p}_{X}^{(Y)}$ are unit vectors describing the direction of a particle $X$ in the rest frame of the system $Y$. In every case the particle momenta are first boosted to the $B^{0}$ (or $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$) rest frame. In this basis, the angular definition for the $\kern 1.79993pt\overline{\kern-1.79993ptB}{}^{0}$ decay is a $C\\!P$ transformation of that for the $B^{0}$ decay. ## Appendix B Angular distribution at large recoil An explicit example of the bias on the angular observables that comes from the threshold terms is provided below for $A_{\rm T}^{2}$. Sensitivity to $A_{\rm T}^{2}$ comes through the term in Eq. 1 with $\sin^{2}\theta_{\ell}\sin^{2}\theta_{K}\cos 2\phi$ angular dependence. In the limit $q^{2}\gg m_{\mu}^{2}$, this term is simply $\frac{1}{2}\left(1-F_{\rm L}(q^{2})\right)A_{\rm T}^{2}(q^{2})\sin^{2}\theta_{\ell}\sin^{2}\theta_{K}\cos 2\phi$ (19) and the differential decay width is $\frac{\mathrm{d}\Gamma}{\mathrm{d}q^{2}}=|A_{0,{\rm L}}|^{2}+|A_{\parallel,{\rm L}}|^{2}+|A_{\perp,{\rm L}}|^{2}+|A_{0,{\rm R}}|^{2}+|A_{\parallel,{\rm R}}|^{2}+|A_{\perp,{\rm R}}|^{2}~{},$ (20) where $A_{0}$, $A_{\parallel}$ and $A_{\perp}$ are the $K^{*0}$ spin- amplitudes and the L/R index refers to the chirality of the lepton current (see for example Ref. [1]). If $q^{2}{~{}\raise 1.49994pt\hbox{$<$}\kern-8.50006pt\lower 3.50006pt\hbox{$\sim$}~{}}1\mathrm{\,Ge\kern-1.00006ptV}^{2}/c^{4}$, these expressions are modified to $\frac{1}{2}\left[\frac{1-4m_{\mu}^{2}/q^{2}}{1+2m_{\mu}^{2}/q^{2}}\right]\left(1-F_{\rm L}(q^{2})\right)A_{\rm T}^{2}(q^{2})\sin^{2}\theta_{\ell}\sin^{2}\theta_{K}\cos 2\phi$ (21) and $\frac{\mathrm{d}\Gamma}{\mathrm{d}q^{2}}=\left[1+2m_{\mu}^{2}/q^{2}\right]\left(|A_{0,{\rm L}}|^{2}+|A_{\parallel,{\rm L}}|^{2}+|A_{\perp,{\rm L}}|^{2}+|A_{0,{\rm R}}|^{2}+|A_{\parallel,{\rm R}}|^{2}+|A_{\perp,{\rm R}}|^{2}\right).$ (22) In an infinitesimal window of $q^{2}$, the difference between an experimental measurement of $A_{\rm T}^{2}$, $A_{\rm T}^{2~{}\text{exp}}$, in which the threshold terms are neglected and the value of $A_{\rm T}^{2}$ defined in literature is $\frac{A_{\rm T}^{2~{}\text{exp}}}{A_{\rm T}^{2}}=\left[\frac{1-4m_{\mu}^{2}/q^{2}}{1+2m_{\mu}^{2}/q^{2}}\right]~{}~{}.$ (23) Unfortunately, in a wider $q^{2}$ window, the $q^{2}$ dependence of $F_{\rm L}$, $A_{\rm T}^{2}$ and the threshold terms needs to be considered and it becomes less straightforward to estimate the bias due to the threshold terms. If $A_{\rm T}^{2}$ is constant over the $q^{2}$ window, $\frac{A_{\rm T}^{2~{}\text{exp}}}{A_{\rm T}^{2}}=\frac{\displaystyle\int_{q^{2}_{\text{min}}}^{q^{2}_{\text{max}}}\frac{\mathrm{d}\Gamma}{\mathrm{d}q^{2}}\left[\frac{1-4m_{\mu}^{2}/q^{2}}{1+2m_{\mu}^{2}/q^{2}}\right]\left[1-F_{\rm L}(q^{2})\right]\mathrm{d}q^{2}}{\displaystyle\int_{q^{2}_{\text{min}}}^{q^{2}_{\text{max}}}\frac{\mathrm{d}\Gamma}{\mathrm{d}q^{2}}\left[1-F_{\rm L}(q^{2})\right]\mathrm{d}q^{2}}~{}~{}.$ (24) In practice the integration in Eq. 24 can be replaced by a sum over the signal events in the $q^{2}$ window $\frac{A_{\rm T}^{2~{}\text{exp}}}{A_{\rm T}^{2}}=\frac{\sum\limits_{i=0}^{N}\left[\frac{1-4m_{\mu}^{2}/q^{2}_{i}}{1+2m_{\mu}^{2}/q^{2}_{i}}\right](1-F_{\rm L}(q_{i}^{2}))\omega_{i}}{\sum\limits_{i=0}^{N}(1-F_{\rm L}(q_{i}^{2}))\omega_{i}}~{},$ (25) where $\omega_{i}$ is a weight applied to the $i^{\text{th}}$ candidate to account for the detector and selection acceptance and the background in the $q^{2}$ window. 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arxiv-papers
2013-04-23T15:33:18
2024-09-04T02:49:44.709219
{ "license": "Creative Commons - Attribution - https://creativecommons.org/licenses/by/3.0/", "authors": "LHCb collaboration: R. Aaij, C. Abellan Beteta, B. Adeva, M. Adinolfi,\n C. Adrover, A. Affolder, Z. Ajaltouni, J. Albrecht, F. Alessio, M. Alexander,\n S. Ali, G. Alkhazov, P. Alvarez Cartelle, A.A. Alves Jr, S. Amato, S. Amerio,\n Y. Amhis, L. Anderlini, J. Anderson, R. Andreassen, R.B. Appleby, O. Aquines\n Gutierrez, F. Archilli, A. Artamonov, M. Artuso, E. Aslanides, G. Auriemma,\n S. Bachmann, J.J. Back, C. Baesso, V. Balagura, W. Baldini, R.J. Barlow, C.\n Barschel, S. Barsuk, W. Barter, Th. Bauer, A. Bay, J. Beddow, F. Bedeschi, I.\n Bediaga, S. Belogurov, K. Belous, I. Belyaev, E. Ben-Haim, G. Bencivenni, S.\n Benson, J. Benton, A. Berezhnoy, R. Bernet, M.-O. Bettler, M. van Beuzekom,\n A. Bien, S. Bifani, T. Bird, A. Bizzeti, P.M. Bj{\\o}rnstad, T. Blake, F.\n Blanc, J. Blouw, S. Blusk, V. Bocci, A. Bondar, N. Bondar, W. Bonivento, S.\n Borghi, A. Borgia, T.J.V. Bowcock, E. Bowen, C. Bozzi, T. Brambach, J. van\n den Brand, J. Bressieux, D. Brett, M. Britsch, T. Britton, N.H. Brook, H.\n Brown, I. Burducea, A. Bursche, G. Busetto, J. Buytaert, S. Cadeddu, O.\n Callot, M. Calvi, M. Calvo Gomez, A. Camboni, P. Campana, D. Campora Perez,\n A. Carbone, G. Carboni, R. Cardinale, A. Cardini, H. Carranza-Mejia, L.\n Carson, K. Carvalho Akiba, G. Casse, L. Castillo Garcia, M. Cattaneo, Ch.\n Cauet, M. Charles, Ph. Charpentier, P. Chen, N. Chiapolini, M. Chrzaszcz, K.\n Ciba, X. Cid Vidal, G. Ciezarek, P.E.L. Clarke, M. Clemencic, H.V. Cliff, J.\n Closier, C. Coca, V. Coco, J. Cogan, E. Cogneras, P. Collins, A.\n Comerma-Montells, A. Contu, A. Cook, M. Coombes, S. Coquereau, G. Corti, B.\n Couturier, G.A. Cowan, D.C. Craik, S. Cunliffe, R. Currie, C. D'Ambrosio, P.\n David, P.N.Y. David, A. Davis, I. De Bonis, K. De Bruyn, S. De Capua, M. De\n Cian, J.M. De Miranda, L. De Paula, W. De Silva, P. De Simone, D. Decamp, M.\n Deckenhoff, L. Del Buono, N. D\\'el\\'eage, D. Derkach, O. Deschamps, F.\n Dettori, A. Di Canto, F. Di Ruscio, H. Dijkstra, M. Dogaru, S. Donleavy, F.\n Dordei, A. Dosil Su\\'arez, D. Dossett, A. Dovbnya, F. Dupertuis, R.\n Dzhelyadin, A. Dziurda, A. Dzyuba, S. Easo, U. Egede, V. Egorychev, S.\n Eidelman, D. van Eijk, S. Eisenhardt, U. Eitschberger, R. Ekelhof, L. Eklund,\n I. El Rifai, Ch. Elsasser, D. Elsby, A. Falabella, C. F\\\"arber, G. Fardell,\n C. Farinelli, S. Farry, V. Fave, D. Ferguson, V. Fernandez Albor, F. Ferreira\n Rodrigues, M. Ferro-Luzzi, S. Filippov, M. Fiore, C. Fitzpatrick, M. Fontana,\n F. Fontanelli, R. Forty, O. Francisco, M. Frank, C. Frei, M. Frosini, S.\n Furcas, E. Furfaro, A. Gallas Torreira, D. Galli, M. Gandelman, P. Gandini,\n Y. Gao, J. Garofoli, P. Garosi, J. Garra Tico, L. Garrido, C. Gaspar, R.\n Gauld, E. Gersabeck, M. Gersabeck, T. Gershon, Ph. Ghez, V. Gibson, V.V.\n Gligorov, C. G\\\"obel, D. Golubkov, A. Golutvin, A. Gomes, H. Gordon, M.\n Grabalosa G\\'andara, R. Graciani Diaz, L.A. Granado Cardoso, E. Graug\\'es, G.\n Graziani, A. Grecu, E. Greening, S. Gregson, P. Griffith, O. Gr\\\"unberg, B.\n Gui, E. Gushchin, Yu. Guz, T. Gys, C. Hadjivasiliou, G. Haefeli, C. Haen,\n S.C. Haines, S. Hall, T. Hampson, S. Hansmann-Menzemer, N. Harnew, S.T.\n Harnew, J. Harrison, T. Hartmann, J. He, V. Heijne, K. Hennessy, P. Henrard,\n J.A. Hernando Morata, E. van Herwijnen, E. Hicks, D. Hill, M. Hoballah, C.\n Hombach, P. Hopchev, W. Hulsbergen, P. Hunt, T. Huse, N. Hussain, D.\n Hutchcroft, D. Hynds, V. Iakovenko, M. Idzik, P. Ilten, R. Jacobsson, A.\n Jaeger, E. Jans, P. Jaton, A. Jawahery, F. Jing, M. John, D. Johnson, C.R.\n Jones, C. Joram, B. Jost, M. Kaballo, S. Kandybei, M. Karacson, T.M. Karbach,\n I.R. Kenyon, U. Kerzel, T. Ketel, A. Keune, B. Khanji, O. Kochebina, I.\n Komarov, R.F. Koopman, P. Koppenburg, M. Korolev, A. Kozlinskiy, L. Kravchuk,\n K. Kreplin, M. Kreps, G. Krocker, P. Krokovny, F. Kruse, M. Kucharczyk, V.\n Kudryavtsev, T. Kvaratskheliya, V.N. La Thi, D. Lacarrere, G. Lafferty, A.\n Lai, D. Lambert, R.W. Lambert, E. Lanciotti, G. Lanfranchi, C. Langenbruch,\n T. Latham, C. Lazzeroni, R. Le Gac, J. van Leerdam, J.-P. Lees, R. Lef\\'evre,\n A. Leflat, J. Lefran\\c{c}ois, S. Leo, O. Leroy, T. Lesiak, B. Leverington, Y.\n Li, L. Li Gioi, M. Liles, R. Lindner, C. Linn, B. Liu, G. Liu, S. Lohn, I.\n Longstaff, J.H. Lopes, E. Lopez Asamar, N. Lopez-March, H. Lu, D. Lucchesi,\n J. Luisier, H. Luo, F. Machefert, I.V. Machikhiliyan, F. Maciuc, O. Maev, S.\n Malde, G. Manca, G. Mancinelli, U. Marconi, R. M\\\"arki, J. Marks, G.\n Martellotti, A. Martens, L. Martin, A. Mart\\'in S\\'anchez, M. Martinelli, D.\n Martinez Santos, D. Martins Tostes, A. Massafferri, R. Matev, Z. Mathe, C.\n Matteuzzi, E. Maurice, A. Mazurov, J. McCarthy, A. McNab, R. McNulty, B.\n Meadows, F. Meier, M. Meissner, M. Merk, D.A. Milanes, M.-N. Minard, J.\n Molina Rodriguez, S. Monteil, D. Moran, P. Morawski, M.J. Morello, R.\n Mountain, I. Mous, F. Muheim, K. M\\\"uller, R. Muresan, B. Muryn, B. Muster,\n P. Naik, T. Nakada, R. Nandakumar, I. Nasteva, M. Needham, N. Neufeld, A.D.\n Nguyen, T.D. Nguyen, C. Nguyen-Mau, M. Nicol, V. Niess, R. Niet, N. Nikitin,\n T. Nikodem, A. Nomerotski, A. Novoselov, A. Oblakowska-Mucha, V. Obraztsov,\n S. Oggero, S. Ogilvy, O. Okhrimenko, R. Oldeman, M. Orlandea, J.M. Otalora\n Goicochea, P. Owen, A. Oyanguren, B.K. Pal, A. Palano, M. Palutan, J. Panman,\n A. Papanestis, M. Pappagallo, C. Parkes, C.J. Parkinson, G. Passaleva, G.D.\n Patel, M. Patel, G.N. Patrick, C. Patrignani, C. Pavel-Nicorescu, A. Pazos\n Alvarez, A. Pellegrino, G. Penso, M. Pepe Altarelli, S. Perazzini, D.L.\n Perego, E. Perez Trigo, A. P\\'erez-Calero Yzquierdo, P. Perret, M.\n Perrin-Terrin, G. Pessina, K. Petridis, A. Petrolini, A. Phan, E. Picatoste\n Olloqui, B. Pietrzyk, T. Pila\\v{r}, D. Pinci, S. Playfer, M. Plo Casasus, F.\n Polci, G. Polok, A. Poluektov, E. Polycarpo, A. Popov, D. Popov, B. Popovici,\n C. Potterat, A. Powell, J. Prisciandaro, V. Pugatch, A. Puig Navarro, G.\n Punzi, W. Qian, J.H. Rademacker, B. Rakotomiaramanana, M.S. Rangel, I.\n Raniuk, N. Rauschmayr, G. Raven, S. Redford, M.M. Reid, A.C. dos Reis, S.\n Ricciardi, A. Richards, K. Rinnert, V. Rives Molina, D.A. Roa Romero, P.\n Robbe, E. Rodrigues, P. Rodriguez Perez, S. Roiser, V. Romanovsky, A. Romero\n Vidal, J. Rouvinet, T. Ruf, F. Ruffini, H. Ruiz, P. Ruiz Valls, G. Sabatino,\n J.J. Saborido Silva, N. Sagidova, P. Sail, B. Saitta, V. Salustino Guimaraes,\n C. Salzmann, B. Sanmartin Sedes, M. Sannino, R. Santacesaria, C. Santamarina\n Rios, E. Santovetti, M. Sapunov, A. Sarti, C. Satriano, A. Satta, M. Savrie,\n D. Savrina, P. Schaack, M. Schiller, H. Schindler, M. Schlupp, M. Schmelling,\n B. Schmidt, O. Schneider, A. Schopper, M.-H. Schune, R. Schwemmer, B.\n Sciascia, A. Sciubba, M. Seco, A. Semennikov, K. Senderowska, I. Sepp, N.\n Serra, J. Serrano, P. Seyfert, M. Shapkin, I. Shapoval, P. Shatalov, Y.\n Shcheglov, T. Shears, L. Shekhtman, O. Shevchenko, V. Shevchenko, A. Shires,\n R. Silva Coutinho, T. Skwarnicki, N.A. Smith, E. Smith, M. Smith, M.D.\n Sokoloff, F.J.P. Soler, F. Soomro, D. Souza, B. Souza De Paula, B. Spaan, A.\n Sparkes, P. Spradlin, F. Stagni, S. Stahl, O. Steinkamp, S. Stoica, S. Stone,\n B. Storaci, M. Straticiuc, U. Straumann, V.K. Subbiah, L. Sun, S. Swientek,\n V. Syropoulos, M. Szczekowski, P. Szczypka, T. Szumlak, S. T'Jampens, M.\n Teklishyn, E. Teodorescu, F. Teubert, C. Thomas, E. Thomas, J. van Tilburg,\n V. Tisserand, M. Tobin, S. Tolk, D. Tonelli, S. Topp-Joergensen, N. Torr, E.\n Tournefier, S. Tourneur, M.T. Tran, M. Tresch, A. Tsaregorodtsev, P.\n Tsopelas, N. Tuning, M. Ubeda Garcia, A. Ukleja, D. Urner, U. Uwer, V.\n Vagnoni, G. Valenti, R. Vazquez Gomez, P. Vazquez Regueiro, S. Vecchi, J.J.\n Velthuis, M. Veltri, G. Veneziano, M. Vesterinen, B. Viaud, D. Vieira, X.\n Vilasis-Cardona, A. Vollhardt, D. Volyanskyy, D. Voong, A. Vorobyev, V.\n Vorobyev, C. Vo\\ss, H. Voss, R. Waldi, R. Wallace, S. Wandernoth, J. Wang,\n D.R. Ward, N.K. Watson, A.D. Webber, D. Websdale, M. Whitehead, J. Wicht, J.\n Wiechczynski, D. Wiedner, L. Wiggers, G. Wilkinson, M.P. Williams, M.\n Williams, F.F. Wilson, J. Wishahi, M. Witek, S.A. Wotton, S. Wright, S. Wu,\n K. Wyllie, Y. Xie, F. Xing, Z. Xing, Z. Yang, R. Young, X. Yuan, O.\n Yushchenko, M. Zangoli, M. Zavertyaev, F. Zhang, L. Zhang, W.C. Zhang, Y.\n Zhang, A. Zhelezov, A. Zhokhov, L. Zhong, A. Zvyagin", "submitter": "Thomas Blake", "url": "https://arxiv.org/abs/1304.6325" }