peacock-data-public-datasets-idc-cronscript
/
venv
/lib
/python3.10
/site-packages
/scipy
/optimize
/_minimize.py
| """ | |
| Unified interfaces to minimization algorithms. | |
| Functions | |
| --------- | |
| - minimize : minimization of a function of several variables. | |
| - minimize_scalar : minimization of a function of one variable. | |
| """ | |
| __all__ = ['minimize', 'minimize_scalar'] | |
| from warnings import warn | |
| import numpy as np | |
| # unconstrained minimization | |
| from ._optimize import (_minimize_neldermead, _minimize_powell, _minimize_cg, | |
| _minimize_bfgs, _minimize_newtoncg, | |
| _minimize_scalar_brent, _minimize_scalar_bounded, | |
| _minimize_scalar_golden, MemoizeJac, OptimizeResult, | |
| _wrap_callback, _recover_from_bracket_error) | |
| from ._trustregion_dogleg import _minimize_dogleg | |
| from ._trustregion_ncg import _minimize_trust_ncg | |
| from ._trustregion_krylov import _minimize_trust_krylov | |
| from ._trustregion_exact import _minimize_trustregion_exact | |
| from ._trustregion_constr import _minimize_trustregion_constr | |
| # constrained minimization | |
| from ._lbfgsb_py import _minimize_lbfgsb | |
| from ._tnc import _minimize_tnc | |
| from ._cobyla_py import _minimize_cobyla | |
| from ._slsqp_py import _minimize_slsqp | |
| from ._constraints import (old_bound_to_new, new_bounds_to_old, | |
| old_constraint_to_new, new_constraint_to_old, | |
| NonlinearConstraint, LinearConstraint, Bounds, | |
| PreparedConstraint) | |
| from ._differentiable_functions import FD_METHODS | |
| MINIMIZE_METHODS = ['nelder-mead', 'powell', 'cg', 'bfgs', 'newton-cg', | |
| 'l-bfgs-b', 'tnc', 'cobyla', 'slsqp', 'trust-constr', | |
| 'dogleg', 'trust-ncg', 'trust-exact', 'trust-krylov'] | |
| # These methods support the new callback interface (passed an OptimizeResult) | |
| MINIMIZE_METHODS_NEW_CB = ['nelder-mead', 'powell', 'cg', 'bfgs', 'newton-cg', | |
| 'l-bfgs-b', 'trust-constr', 'dogleg', 'trust-ncg', | |
| 'trust-exact', 'trust-krylov'] | |
| MINIMIZE_SCALAR_METHODS = ['brent', 'bounded', 'golden'] | |
| def minimize(fun, x0, args=(), method=None, jac=None, hess=None, | |
| hessp=None, bounds=None, constraints=(), tol=None, | |
| callback=None, options=None): | |
| """Minimization of scalar function of one or more variables. | |
| Parameters | |
| ---------- | |
| fun : callable | |
| The objective function to be minimized. | |
| ``fun(x, *args) -> float`` | |
| where ``x`` is a 1-D array with shape (n,) and ``args`` | |
| is a tuple of the fixed parameters needed to completely | |
| specify the function. | |
| x0 : ndarray, shape (n,) | |
| Initial guess. Array of real elements of size (n,), | |
| where ``n`` is the number of independent variables. | |
| args : tuple, optional | |
| Extra arguments passed to the objective function and its | |
| derivatives (`fun`, `jac` and `hess` functions). | |
| method : str or callable, optional | |
| Type of solver. Should be one of | |
| - 'Nelder-Mead' :ref:`(see here) <optimize.minimize-neldermead>` | |
| - 'Powell' :ref:`(see here) <optimize.minimize-powell>` | |
| - 'CG' :ref:`(see here) <optimize.minimize-cg>` | |
| - 'BFGS' :ref:`(see here) <optimize.minimize-bfgs>` | |
| - 'Newton-CG' :ref:`(see here) <optimize.minimize-newtoncg>` | |
| - 'L-BFGS-B' :ref:`(see here) <optimize.minimize-lbfgsb>` | |
| - 'TNC' :ref:`(see here) <optimize.minimize-tnc>` | |
| - 'COBYLA' :ref:`(see here) <optimize.minimize-cobyla>` | |
| - 'SLSQP' :ref:`(see here) <optimize.minimize-slsqp>` | |
| - 'trust-constr':ref:`(see here) <optimize.minimize-trustconstr>` | |
| - 'dogleg' :ref:`(see here) <optimize.minimize-dogleg>` | |
| - 'trust-ncg' :ref:`(see here) <optimize.minimize-trustncg>` | |
| - 'trust-exact' :ref:`(see here) <optimize.minimize-trustexact>` | |
| - 'trust-krylov' :ref:`(see here) <optimize.minimize-trustkrylov>` | |
| - custom - a callable object, see below for description. | |
| If not given, chosen to be one of ``BFGS``, ``L-BFGS-B``, ``SLSQP``, | |
| depending on whether or not the problem has constraints or bounds. | |
| jac : {callable, '2-point', '3-point', 'cs', bool}, optional | |
| Method for computing the gradient vector. Only for CG, BFGS, | |
| Newton-CG, L-BFGS-B, TNC, SLSQP, dogleg, trust-ncg, trust-krylov, | |
| trust-exact and trust-constr. | |
| If it is a callable, it should be a function that returns the gradient | |
| vector: | |
| ``jac(x, *args) -> array_like, shape (n,)`` | |
| where ``x`` is an array with shape (n,) and ``args`` is a tuple with | |
| the fixed parameters. If `jac` is a Boolean and is True, `fun` is | |
| assumed to return a tuple ``(f, g)`` containing the objective | |
| function and the gradient. | |
| Methods 'Newton-CG', 'trust-ncg', 'dogleg', 'trust-exact', and | |
| 'trust-krylov' require that either a callable be supplied, or that | |
| `fun` return the objective and gradient. | |
| If None or False, the gradient will be estimated using 2-point finite | |
| difference estimation with an absolute step size. | |
| Alternatively, the keywords {'2-point', '3-point', 'cs'} can be used | |
| to select a finite difference scheme for numerical estimation of the | |
| gradient with a relative step size. These finite difference schemes | |
| obey any specified `bounds`. | |
| hess : {callable, '2-point', '3-point', 'cs', HessianUpdateStrategy}, optional | |
| Method for computing the Hessian matrix. Only for Newton-CG, dogleg, | |
| trust-ncg, trust-krylov, trust-exact and trust-constr. | |
| If it is callable, it should return the Hessian matrix: | |
| ``hess(x, *args) -> {LinearOperator, spmatrix, array}, (n, n)`` | |
| where ``x`` is a (n,) ndarray and ``args`` is a tuple with the fixed | |
| parameters. | |
| The keywords {'2-point', '3-point', 'cs'} can also be used to select | |
| a finite difference scheme for numerical estimation of the hessian. | |
| Alternatively, objects implementing the `HessianUpdateStrategy` | |
| interface can be used to approximate the Hessian. Available | |
| quasi-Newton methods implementing this interface are: | |
| - `BFGS`; | |
| - `SR1`. | |
| Not all of the options are available for each of the methods; for | |
| availability refer to the notes. | |
| hessp : callable, optional | |
| Hessian of objective function times an arbitrary vector p. Only for | |
| Newton-CG, trust-ncg, trust-krylov, trust-constr. | |
| Only one of `hessp` or `hess` needs to be given. If `hess` is | |
| provided, then `hessp` will be ignored. `hessp` must compute the | |
| Hessian times an arbitrary vector: | |
| ``hessp(x, p, *args) -> ndarray shape (n,)`` | |
| where ``x`` is a (n,) ndarray, ``p`` is an arbitrary vector with | |
| dimension (n,) and ``args`` is a tuple with the fixed | |
| parameters. | |
| bounds : sequence or `Bounds`, optional | |
| Bounds on variables for Nelder-Mead, L-BFGS-B, TNC, SLSQP, Powell, | |
| trust-constr, and COBYLA methods. There are two ways to specify the | |
| bounds: | |
| 1. Instance of `Bounds` class. | |
| 2. Sequence of ``(min, max)`` pairs for each element in `x`. None | |
| is used to specify no bound. | |
| constraints : {Constraint, dict} or List of {Constraint, dict}, optional | |
| Constraints definition. Only for COBYLA, SLSQP and trust-constr. | |
| Constraints for 'trust-constr' are defined as a single object or a | |
| list of objects specifying constraints to the optimization problem. | |
| Available constraints are: | |
| - `LinearConstraint` | |
| - `NonlinearConstraint` | |
| Constraints for COBYLA, SLSQP are defined as a list of dictionaries. | |
| Each dictionary with fields: | |
| type : str | |
| Constraint type: 'eq' for equality, 'ineq' for inequality. | |
| fun : callable | |
| The function defining the constraint. | |
| jac : callable, optional | |
| The Jacobian of `fun` (only for SLSQP). | |
| args : sequence, optional | |
| Extra arguments to be passed to the function and Jacobian. | |
| Equality constraint means that the constraint function result is to | |
| be zero whereas inequality means that it is to be non-negative. | |
| Note that COBYLA only supports inequality constraints. | |
| tol : float, optional | |
| Tolerance for termination. When `tol` is specified, the selected | |
| minimization algorithm sets some relevant solver-specific tolerance(s) | |
| equal to `tol`. For detailed control, use solver-specific | |
| options. | |
| options : dict, optional | |
| A dictionary of solver options. All methods except `TNC` accept the | |
| following generic options: | |
| maxiter : int | |
| Maximum number of iterations to perform. Depending on the | |
| method each iteration may use several function evaluations. | |
| For `TNC` use `maxfun` instead of `maxiter`. | |
| disp : bool | |
| Set to True to print convergence messages. | |
| For method-specific options, see :func:`show_options()`. | |
| callback : callable, optional | |
| A callable called after each iteration. | |
| All methods except TNC, SLSQP, and COBYLA support a callable with | |
| the signature: | |
| ``callback(intermediate_result: OptimizeResult)`` | |
| where ``intermediate_result`` is a keyword parameter containing an | |
| `OptimizeResult` with attributes ``x`` and ``fun``, the present values | |
| of the parameter vector and objective function. Note that the name | |
| of the parameter must be ``intermediate_result`` for the callback | |
| to be passed an `OptimizeResult`. These methods will also terminate if | |
| the callback raises ``StopIteration``. | |
| All methods except trust-constr (also) support a signature like: | |
| ``callback(xk)`` | |
| where ``xk`` is the current parameter vector. | |
| Introspection is used to determine which of the signatures above to | |
| invoke. | |
| Returns | |
| ------- | |
| res : OptimizeResult | |
| The optimization result represented as a ``OptimizeResult`` object. | |
| Important attributes are: ``x`` the solution array, ``success`` a | |
| Boolean flag indicating if the optimizer exited successfully and | |
| ``message`` which describes the cause of the termination. See | |
| `OptimizeResult` for a description of other attributes. | |
| See also | |
| -------- | |
| minimize_scalar : Interface to minimization algorithms for scalar | |
| univariate functions | |
| show_options : Additional options accepted by the solvers | |
| Notes | |
| ----- | |
| This section describes the available solvers that can be selected by the | |
| 'method' parameter. The default method is *BFGS*. | |
| **Unconstrained minimization** | |
| Method :ref:`CG <optimize.minimize-cg>` uses a nonlinear conjugate | |
| gradient algorithm by Polak and Ribiere, a variant of the | |
| Fletcher-Reeves method described in [5]_ pp.120-122. Only the | |
| first derivatives are used. | |
| Method :ref:`BFGS <optimize.minimize-bfgs>` uses the quasi-Newton | |
| method of Broyden, Fletcher, Goldfarb, and Shanno (BFGS) [5]_ | |
| pp. 136. It uses the first derivatives only. BFGS has proven good | |
| performance even for non-smooth optimizations. This method also | |
| returns an approximation of the Hessian inverse, stored as | |
| `hess_inv` in the OptimizeResult object. | |
| Method :ref:`Newton-CG <optimize.minimize-newtoncg>` uses a | |
| Newton-CG algorithm [5]_ pp. 168 (also known as the truncated | |
| Newton method). It uses a CG method to the compute the search | |
| direction. See also *TNC* method for a box-constrained | |
| minimization with a similar algorithm. Suitable for large-scale | |
| problems. | |
| Method :ref:`dogleg <optimize.minimize-dogleg>` uses the dog-leg | |
| trust-region algorithm [5]_ for unconstrained minimization. This | |
| algorithm requires the gradient and Hessian; furthermore the | |
| Hessian is required to be positive definite. | |
| Method :ref:`trust-ncg <optimize.minimize-trustncg>` uses the | |
| Newton conjugate gradient trust-region algorithm [5]_ for | |
| unconstrained minimization. This algorithm requires the gradient | |
| and either the Hessian or a function that computes the product of | |
| the Hessian with a given vector. Suitable for large-scale problems. | |
| Method :ref:`trust-krylov <optimize.minimize-trustkrylov>` uses | |
| the Newton GLTR trust-region algorithm [14]_, [15]_ for unconstrained | |
| minimization. This algorithm requires the gradient | |
| and either the Hessian or a function that computes the product of | |
| the Hessian with a given vector. Suitable for large-scale problems. | |
| On indefinite problems it requires usually less iterations than the | |
| `trust-ncg` method and is recommended for medium and large-scale problems. | |
| Method :ref:`trust-exact <optimize.minimize-trustexact>` | |
| is a trust-region method for unconstrained minimization in which | |
| quadratic subproblems are solved almost exactly [13]_. This | |
| algorithm requires the gradient and the Hessian (which is | |
| *not* required to be positive definite). It is, in many | |
| situations, the Newton method to converge in fewer iterations | |
| and the most recommended for small and medium-size problems. | |
| **Bound-Constrained minimization** | |
| Method :ref:`Nelder-Mead <optimize.minimize-neldermead>` uses the | |
| Simplex algorithm [1]_, [2]_. This algorithm is robust in many | |
| applications. However, if numerical computation of derivative can be | |
| trusted, other algorithms using the first and/or second derivatives | |
| information might be preferred for their better performance in | |
| general. | |
| Method :ref:`L-BFGS-B <optimize.minimize-lbfgsb>` uses the L-BFGS-B | |
| algorithm [6]_, [7]_ for bound constrained minimization. | |
| Method :ref:`Powell <optimize.minimize-powell>` is a modification | |
| of Powell's method [3]_, [4]_ which is a conjugate direction | |
| method. It performs sequential one-dimensional minimizations along | |
| each vector of the directions set (`direc` field in `options` and | |
| `info`), which is updated at each iteration of the main | |
| minimization loop. The function need not be differentiable, and no | |
| derivatives are taken. If bounds are not provided, then an | |
| unbounded line search will be used. If bounds are provided and | |
| the initial guess is within the bounds, then every function | |
| evaluation throughout the minimization procedure will be within | |
| the bounds. If bounds are provided, the initial guess is outside | |
| the bounds, and `direc` is full rank (default has full rank), then | |
| some function evaluations during the first iteration may be | |
| outside the bounds, but every function evaluation after the first | |
| iteration will be within the bounds. If `direc` is not full rank, | |
| then some parameters may not be optimized and the solution is not | |
| guaranteed to be within the bounds. | |
| Method :ref:`TNC <optimize.minimize-tnc>` uses a truncated Newton | |
| algorithm [5]_, [8]_ to minimize a function with variables subject | |
| to bounds. This algorithm uses gradient information; it is also | |
| called Newton Conjugate-Gradient. It differs from the *Newton-CG* | |
| method described above as it wraps a C implementation and allows | |
| each variable to be given upper and lower bounds. | |
| **Constrained Minimization** | |
| Method :ref:`COBYLA <optimize.minimize-cobyla>` uses the | |
| Constrained Optimization BY Linear Approximation (COBYLA) method | |
| [9]_, [10]_, [11]_. The algorithm is based on linear | |
| approximations to the objective function and each constraint. The | |
| method wraps a FORTRAN implementation of the algorithm. The | |
| constraints functions 'fun' may return either a single number | |
| or an array or list of numbers. | |
| Method :ref:`SLSQP <optimize.minimize-slsqp>` uses Sequential | |
| Least SQuares Programming to minimize a function of several | |
| variables with any combination of bounds, equality and inequality | |
| constraints. The method wraps the SLSQP Optimization subroutine | |
| originally implemented by Dieter Kraft [12]_. Note that the | |
| wrapper handles infinite values in bounds by converting them into | |
| large floating values. | |
| Method :ref:`trust-constr <optimize.minimize-trustconstr>` is a | |
| trust-region algorithm for constrained optimization. It switches | |
| between two implementations depending on the problem definition. | |
| It is the most versatile constrained minimization algorithm | |
| implemented in SciPy and the most appropriate for large-scale problems. | |
| For equality constrained problems it is an implementation of Byrd-Omojokun | |
| Trust-Region SQP method described in [17]_ and in [5]_, p. 549. When | |
| inequality constraints are imposed as well, it switches to the trust-region | |
| interior point method described in [16]_. This interior point algorithm, | |
| in turn, solves inequality constraints by introducing slack variables | |
| and solving a sequence of equality-constrained barrier problems | |
| for progressively smaller values of the barrier parameter. | |
| The previously described equality constrained SQP method is | |
| used to solve the subproblems with increasing levels of accuracy | |
| as the iterate gets closer to a solution. | |
| **Finite-Difference Options** | |
| For Method :ref:`trust-constr <optimize.minimize-trustconstr>` | |
| the gradient and the Hessian may be approximated using | |
| three finite-difference schemes: {'2-point', '3-point', 'cs'}. | |
| The scheme 'cs' is, potentially, the most accurate but it | |
| requires the function to correctly handle complex inputs and to | |
| be differentiable in the complex plane. The scheme '3-point' is more | |
| accurate than '2-point' but requires twice as many operations. If the | |
| gradient is estimated via finite-differences the Hessian must be | |
| estimated using one of the quasi-Newton strategies. | |
| **Method specific options for the** `hess` **keyword** | |
| +--------------+------+----------+-------------------------+-----+ | |
| | method/Hess | None | callable | '2-point/'3-point'/'cs' | HUS | | |
| +==============+======+==========+=========================+=====+ | |
| | Newton-CG | x | (n, n) | x | x | | |
| | | | LO | | | | |
| +--------------+------+----------+-------------------------+-----+ | |
| | dogleg | | (n, n) | | | | |
| +--------------+------+----------+-------------------------+-----+ | |
| | trust-ncg | | (n, n) | x | x | | |
| +--------------+------+----------+-------------------------+-----+ | |
| | trust-krylov | | (n, n) | x | x | | |
| +--------------+------+----------+-------------------------+-----+ | |
| | trust-exact | | (n, n) | | | | |
| +--------------+------+----------+-------------------------+-----+ | |
| | trust-constr | x | (n, n) | x | x | | |
| | | | LO | | | | |
| | | | sp | | | | |
| +--------------+------+----------+-------------------------+-----+ | |
| where LO=LinearOperator, sp=Sparse matrix, HUS=HessianUpdateStrategy | |
| **Custom minimizers** | |
| It may be useful to pass a custom minimization method, for example | |
| when using a frontend to this method such as `scipy.optimize.basinhopping` | |
| or a different library. You can simply pass a callable as the ``method`` | |
| parameter. | |
| The callable is called as ``method(fun, x0, args, **kwargs, **options)`` | |
| where ``kwargs`` corresponds to any other parameters passed to `minimize` | |
| (such as `callback`, `hess`, etc.), except the `options` dict, which has | |
| its contents also passed as `method` parameters pair by pair. Also, if | |
| `jac` has been passed as a bool type, `jac` and `fun` are mangled so that | |
| `fun` returns just the function values and `jac` is converted to a function | |
| returning the Jacobian. The method shall return an `OptimizeResult` | |
| object. | |
| The provided `method` callable must be able to accept (and possibly ignore) | |
| arbitrary parameters; the set of parameters accepted by `minimize` may | |
| expand in future versions and then these parameters will be passed to | |
| the method. You can find an example in the scipy.optimize tutorial. | |
| References | |
| ---------- | |
| .. [1] Nelder, J A, and R Mead. 1965. A Simplex Method for Function | |
| Minimization. The Computer Journal 7: 308-13. | |
| .. [2] Wright M H. 1996. Direct search methods: Once scorned, now | |
| respectable, in Numerical Analysis 1995: Proceedings of the 1995 | |
| Dundee Biennial Conference in Numerical Analysis (Eds. D F | |
| Griffiths and G A Watson). Addison Wesley Longman, Harlow, UK. | |
| 191-208. | |
| .. [3] Powell, M J D. 1964. An efficient method for finding the minimum of | |
| a function of several variables without calculating derivatives. The | |
| Computer Journal 7: 155-162. | |
| .. [4] Press W, S A Teukolsky, W T Vetterling and B P Flannery. | |
| Numerical Recipes (any edition), Cambridge University Press. | |
| .. [5] Nocedal, J, and S J Wright. 2006. Numerical Optimization. | |
| Springer New York. | |
| .. [6] Byrd, R H and P Lu and J. Nocedal. 1995. A Limited Memory | |
| Algorithm for Bound Constrained Optimization. SIAM Journal on | |
| Scientific and Statistical Computing 16 (5): 1190-1208. | |
| .. [7] Zhu, C and R H Byrd and J Nocedal. 1997. L-BFGS-B: Algorithm | |
| 778: L-BFGS-B, FORTRAN routines for large scale bound constrained | |
| optimization. ACM Transactions on Mathematical Software 23 (4): | |
| 550-560. | |
| .. [8] Nash, S G. Newton-Type Minimization Via the Lanczos Method. | |
| 1984. SIAM Journal of Numerical Analysis 21: 770-778. | |
| .. [9] Powell, M J D. A direct search optimization method that models | |
| the objective and constraint functions by linear interpolation. | |
| 1994. Advances in Optimization and Numerical Analysis, eds. S. Gomez | |
| and J-P Hennart, Kluwer Academic (Dordrecht), 51-67. | |
| .. [10] Powell M J D. Direct search algorithms for optimization | |
| calculations. 1998. Acta Numerica 7: 287-336. | |
| .. [11] Powell M J D. A view of algorithms for optimization without | |
| derivatives. 2007.Cambridge University Technical Report DAMTP | |
| 2007/NA03 | |
| .. [12] Kraft, D. A software package for sequential quadratic | |
| programming. 1988. Tech. Rep. DFVLR-FB 88-28, DLR German Aerospace | |
| Center -- Institute for Flight Mechanics, Koln, Germany. | |
| .. [13] Conn, A. R., Gould, N. I., and Toint, P. L. | |
| Trust region methods. 2000. Siam. pp. 169-200. | |
| .. [14] F. Lenders, C. Kirches, A. Potschka: "trlib: A vector-free | |
| implementation of the GLTR method for iterative solution of | |
| the trust region problem", :arxiv:`1611.04718` | |
| .. [15] N. Gould, S. Lucidi, M. Roma, P. Toint: "Solving the | |
| Trust-Region Subproblem using the Lanczos Method", | |
| SIAM J. Optim., 9(2), 504--525, (1999). | |
| .. [16] Byrd, Richard H., Mary E. Hribar, and Jorge Nocedal. 1999. | |
| An interior point algorithm for large-scale nonlinear programming. | |
| SIAM Journal on Optimization 9.4: 877-900. | |
| .. [17] Lalee, Marucha, Jorge Nocedal, and Todd Plantega. 1998. On the | |
| implementation of an algorithm for large-scale equality constrained | |
| optimization. SIAM Journal on Optimization 8.3: 682-706. | |
| Examples | |
| -------- | |
| Let us consider the problem of minimizing the Rosenbrock function. This | |
| function (and its respective derivatives) is implemented in `rosen` | |
| (resp. `rosen_der`, `rosen_hess`) in the `scipy.optimize`. | |
| >>> from scipy.optimize import minimize, rosen, rosen_der | |
| A simple application of the *Nelder-Mead* method is: | |
| >>> x0 = [1.3, 0.7, 0.8, 1.9, 1.2] | |
| >>> res = minimize(rosen, x0, method='Nelder-Mead', tol=1e-6) | |
| >>> res.x | |
| array([ 1., 1., 1., 1., 1.]) | |
| Now using the *BFGS* algorithm, using the first derivative and a few | |
| options: | |
| >>> res = minimize(rosen, x0, method='BFGS', jac=rosen_der, | |
| ... options={'gtol': 1e-6, 'disp': True}) | |
| Optimization terminated successfully. | |
| Current function value: 0.000000 | |
| Iterations: 26 | |
| Function evaluations: 31 | |
| Gradient evaluations: 31 | |
| >>> res.x | |
| array([ 1., 1., 1., 1., 1.]) | |
| >>> print(res.message) | |
| Optimization terminated successfully. | |
| >>> res.hess_inv | |
| array([ | |
| [ 0.00749589, 0.01255155, 0.02396251, 0.04750988, 0.09495377], # may vary | |
| [ 0.01255155, 0.02510441, 0.04794055, 0.09502834, 0.18996269], | |
| [ 0.02396251, 0.04794055, 0.09631614, 0.19092151, 0.38165151], | |
| [ 0.04750988, 0.09502834, 0.19092151, 0.38341252, 0.7664427 ], | |
| [ 0.09495377, 0.18996269, 0.38165151, 0.7664427, 1.53713523] | |
| ]) | |
| Next, consider a minimization problem with several constraints (namely | |
| Example 16.4 from [5]_). The objective function is: | |
| >>> fun = lambda x: (x[0] - 1)**2 + (x[1] - 2.5)**2 | |
| There are three constraints defined as: | |
| >>> cons = ({'type': 'ineq', 'fun': lambda x: x[0] - 2 * x[1] + 2}, | |
| ... {'type': 'ineq', 'fun': lambda x: -x[0] - 2 * x[1] + 6}, | |
| ... {'type': 'ineq', 'fun': lambda x: -x[0] + 2 * x[1] + 2}) | |
| And variables must be positive, hence the following bounds: | |
| >>> bnds = ((0, None), (0, None)) | |
| The optimization problem is solved using the SLSQP method as: | |
| >>> res = minimize(fun, (2, 0), method='SLSQP', bounds=bnds, | |
| ... constraints=cons) | |
| It should converge to the theoretical solution (1.4 ,1.7). | |
| """ | |
| x0 = np.atleast_1d(np.asarray(x0)) | |
| if x0.ndim != 1: | |
| raise ValueError("'x0' must only have one dimension.") | |
| if x0.dtype.kind in np.typecodes["AllInteger"]: | |
| x0 = np.asarray(x0, dtype=float) | |
| if not isinstance(args, tuple): | |
| args = (args,) | |
| if method is None: | |
| # Select automatically | |
| if constraints: | |
| method = 'SLSQP' | |
| elif bounds is not None: | |
| method = 'L-BFGS-B' | |
| else: | |
| method = 'BFGS' | |
| if callable(method): | |
| meth = "_custom" | |
| else: | |
| meth = method.lower() | |
| if options is None: | |
| options = {} | |
| # check if optional parameters are supported by the selected method | |
| # - jac | |
| if meth in ('nelder-mead', 'powell', 'cobyla') and bool(jac): | |
| warn('Method %s does not use gradient information (jac).' % method, | |
| RuntimeWarning, stacklevel=2) | |
| # - hess | |
| if meth not in ('newton-cg', 'dogleg', 'trust-ncg', 'trust-constr', | |
| 'trust-krylov', 'trust-exact', '_custom') and hess is not None: | |
| warn('Method %s does not use Hessian information (hess).' % method, | |
| RuntimeWarning, stacklevel=2) | |
| # - hessp | |
| if meth not in ('newton-cg', 'trust-ncg', 'trust-constr', | |
| 'trust-krylov', '_custom') \ | |
| and hessp is not None: | |
| warn('Method %s does not use Hessian-vector product ' | |
| 'information (hessp).' % method, | |
| RuntimeWarning, stacklevel=2) | |
| # - constraints or bounds | |
| if (meth not in ('cobyla', 'slsqp', 'trust-constr', '_custom') and | |
| np.any(constraints)): | |
| warn('Method %s cannot handle constraints.' % method, | |
| RuntimeWarning, stacklevel=2) | |
| if meth not in ('nelder-mead', 'powell', 'l-bfgs-b', 'cobyla', 'slsqp', | |
| 'tnc', 'trust-constr', '_custom') and bounds is not None: | |
| warn('Method %s cannot handle bounds.' % method, | |
| RuntimeWarning, stacklevel=2) | |
| # - return_all | |
| if (meth in ('l-bfgs-b', 'tnc', 'cobyla', 'slsqp') and | |
| options.get('return_all', False)): | |
| warn('Method %s does not support the return_all option.' % method, | |
| RuntimeWarning, stacklevel=2) | |
| # check gradient vector | |
| if callable(jac): | |
| pass | |
| elif jac is True: | |
| # fun returns func and grad | |
| fun = MemoizeJac(fun) | |
| jac = fun.derivative | |
| elif (jac in FD_METHODS and | |
| meth in ['trust-constr', 'bfgs', 'cg', 'l-bfgs-b', 'tnc', 'slsqp']): | |
| # finite differences with relative step | |
| pass | |
| elif meth in ['trust-constr']: | |
| # default jac calculation for this method | |
| jac = '2-point' | |
| elif jac is None or bool(jac) is False: | |
| # this will cause e.g. LBFGS to use forward difference, absolute step | |
| jac = None | |
| else: | |
| # default if jac option is not understood | |
| jac = None | |
| # set default tolerances | |
| if tol is not None: | |
| options = dict(options) | |
| if meth == 'nelder-mead': | |
| options.setdefault('xatol', tol) | |
| options.setdefault('fatol', tol) | |
| if meth in ('newton-cg', 'powell', 'tnc'): | |
| options.setdefault('xtol', tol) | |
| if meth in ('powell', 'l-bfgs-b', 'tnc', 'slsqp'): | |
| options.setdefault('ftol', tol) | |
| if meth in ('bfgs', 'cg', 'l-bfgs-b', 'tnc', 'dogleg', | |
| 'trust-ncg', 'trust-exact', 'trust-krylov'): | |
| options.setdefault('gtol', tol) | |
| if meth in ('cobyla', '_custom'): | |
| options.setdefault('tol', tol) | |
| if meth == 'trust-constr': | |
| options.setdefault('xtol', tol) | |
| options.setdefault('gtol', tol) | |
| options.setdefault('barrier_tol', tol) | |
| if meth == '_custom': | |
| # custom method called before bounds and constraints are 'standardised' | |
| # custom method should be able to accept whatever bounds/constraints | |
| # are provided to it. | |
| return method(fun, x0, args=args, jac=jac, hess=hess, hessp=hessp, | |
| bounds=bounds, constraints=constraints, | |
| callback=callback, **options) | |
| constraints = standardize_constraints(constraints, x0, meth) | |
| remove_vars = False | |
| if bounds is not None: | |
| # convert to new-style bounds so we only have to consider one case | |
| bounds = standardize_bounds(bounds, x0, 'new') | |
| bounds = _validate_bounds(bounds, x0, meth) | |
| if meth in {"tnc", "slsqp", "l-bfgs-b"}: | |
| # These methods can't take the finite-difference derivatives they | |
| # need when a variable is fixed by the bounds. To avoid this issue, | |
| # remove fixed variables from the problem. | |
| # NOTE: if this list is expanded, then be sure to update the | |
| # accompanying tests and test_optimize.eb_data. Consider also if | |
| # default OptimizeResult will need updating. | |
| # determine whether any variables are fixed | |
| i_fixed = (bounds.lb == bounds.ub) | |
| if np.all(i_fixed): | |
| # all the parameters are fixed, a minimizer is not able to do | |
| # anything | |
| return _optimize_result_for_equal_bounds( | |
| fun, bounds, meth, args=args, constraints=constraints | |
| ) | |
| # determine whether finite differences are needed for any grad/jac | |
| fd_needed = (not callable(jac)) | |
| for con in constraints: | |
| if not callable(con.get('jac', None)): | |
| fd_needed = True | |
| # If finite differences are ever used, remove all fixed variables | |
| # Always remove fixed variables for TNC; see gh-14565 | |
| remove_vars = i_fixed.any() and (fd_needed or meth == "tnc") | |
| if remove_vars: | |
| x_fixed = (bounds.lb)[i_fixed] | |
| x0 = x0[~i_fixed] | |
| bounds = _remove_from_bounds(bounds, i_fixed) | |
| fun = _remove_from_func(fun, i_fixed, x_fixed) | |
| if callable(callback): | |
| callback = _remove_from_func(callback, i_fixed, x_fixed) | |
| if callable(jac): | |
| jac = _remove_from_func(jac, i_fixed, x_fixed, remove=1) | |
| # make a copy of the constraints so the user's version doesn't | |
| # get changed. (Shallow copy is ok) | |
| constraints = [con.copy() for con in constraints] | |
| for con in constraints: # yes, guaranteed to be a list | |
| con['fun'] = _remove_from_func(con['fun'], i_fixed, | |
| x_fixed, min_dim=1, | |
| remove=0) | |
| if callable(con.get('jac', None)): | |
| con['jac'] = _remove_from_func(con['jac'], i_fixed, | |
| x_fixed, min_dim=2, | |
| remove=1) | |
| bounds = standardize_bounds(bounds, x0, meth) | |
| callback = _wrap_callback(callback, meth) | |
| if meth == 'nelder-mead': | |
| res = _minimize_neldermead(fun, x0, args, callback, bounds=bounds, | |
| **options) | |
| elif meth == 'powell': | |
| res = _minimize_powell(fun, x0, args, callback, bounds, **options) | |
| elif meth == 'cg': | |
| res = _minimize_cg(fun, x0, args, jac, callback, **options) | |
| elif meth == 'bfgs': | |
| res = _minimize_bfgs(fun, x0, args, jac, callback, **options) | |
| elif meth == 'newton-cg': | |
| res = _minimize_newtoncg(fun, x0, args, jac, hess, hessp, callback, | |
| **options) | |
| elif meth == 'l-bfgs-b': | |
| res = _minimize_lbfgsb(fun, x0, args, jac, bounds, | |
| callback=callback, **options) | |
| elif meth == 'tnc': | |
| res = _minimize_tnc(fun, x0, args, jac, bounds, callback=callback, | |
| **options) | |
| elif meth == 'cobyla': | |
| res = _minimize_cobyla(fun, x0, args, constraints, callback=callback, | |
| bounds=bounds, **options) | |
| elif meth == 'slsqp': | |
| res = _minimize_slsqp(fun, x0, args, jac, bounds, | |
| constraints, callback=callback, **options) | |
| elif meth == 'trust-constr': | |
| res = _minimize_trustregion_constr(fun, x0, args, jac, hess, hessp, | |
| bounds, constraints, | |
| callback=callback, **options) | |
| elif meth == 'dogleg': | |
| res = _minimize_dogleg(fun, x0, args, jac, hess, | |
| callback=callback, **options) | |
| elif meth == 'trust-ncg': | |
| res = _minimize_trust_ncg(fun, x0, args, jac, hess, hessp, | |
| callback=callback, **options) | |
| elif meth == 'trust-krylov': | |
| res = _minimize_trust_krylov(fun, x0, args, jac, hess, hessp, | |
| callback=callback, **options) | |
| elif meth == 'trust-exact': | |
| res = _minimize_trustregion_exact(fun, x0, args, jac, hess, | |
| callback=callback, **options) | |
| else: | |
| raise ValueError('Unknown solver %s' % method) | |
| if remove_vars: | |
| res.x = _add_to_array(res.x, i_fixed, x_fixed) | |
| res.jac = _add_to_array(res.jac, i_fixed, np.nan) | |
| if "hess_inv" in res: | |
| res.hess_inv = None # unknown | |
| if getattr(callback, 'stop_iteration', False): | |
| res.success = False | |
| res.status = 99 | |
| res.message = "`callback` raised `StopIteration`." | |
| return res | |
| def minimize_scalar(fun, bracket=None, bounds=None, args=(), | |
| method=None, tol=None, options=None): | |
| """Local minimization of scalar function of one variable. | |
| Parameters | |
| ---------- | |
| fun : callable | |
| Objective function. | |
| Scalar function, must return a scalar. | |
| bracket : sequence, optional | |
| For methods 'brent' and 'golden', `bracket` defines the bracketing | |
| interval and is required. | |
| Either a triple ``(xa, xb, xc)`` satisfying ``xa < xb < xc`` and | |
| ``func(xb) < func(xa) and func(xb) < func(xc)``, or a pair | |
| ``(xa, xb)`` to be used as initial points for a downhill bracket search | |
| (see `scipy.optimize.bracket`). | |
| The minimizer ``res.x`` will not necessarily satisfy | |
| ``xa <= res.x <= xb``. | |
| bounds : sequence, optional | |
| For method 'bounded', `bounds` is mandatory and must have two finite | |
| items corresponding to the optimization bounds. | |
| args : tuple, optional | |
| Extra arguments passed to the objective function. | |
| method : str or callable, optional | |
| Type of solver. Should be one of: | |
| - :ref:`Brent <optimize.minimize_scalar-brent>` | |
| - :ref:`Bounded <optimize.minimize_scalar-bounded>` | |
| - :ref:`Golden <optimize.minimize_scalar-golden>` | |
| - custom - a callable object (added in version 0.14.0), see below | |
| Default is "Bounded" if bounds are provided and "Brent" otherwise. | |
| See the 'Notes' section for details of each solver. | |
| tol : float, optional | |
| Tolerance for termination. For detailed control, use solver-specific | |
| options. | |
| options : dict, optional | |
| A dictionary of solver options. | |
| maxiter : int | |
| Maximum number of iterations to perform. | |
| disp : bool | |
| Set to True to print convergence messages. | |
| See :func:`show_options()` for solver-specific options. | |
| Returns | |
| ------- | |
| res : OptimizeResult | |
| The optimization result represented as a ``OptimizeResult`` object. | |
| Important attributes are: ``x`` the solution array, ``success`` a | |
| Boolean flag indicating if the optimizer exited successfully and | |
| ``message`` which describes the cause of the termination. See | |
| `OptimizeResult` for a description of other attributes. | |
| See also | |
| -------- | |
| minimize : Interface to minimization algorithms for scalar multivariate | |
| functions | |
| show_options : Additional options accepted by the solvers | |
| Notes | |
| ----- | |
| This section describes the available solvers that can be selected by the | |
| 'method' parameter. The default method is the ``"Bounded"`` Brent method if | |
| `bounds` are passed and unbounded ``"Brent"`` otherwise. | |
| Method :ref:`Brent <optimize.minimize_scalar-brent>` uses Brent's | |
| algorithm [1]_ to find a local minimum. The algorithm uses inverse | |
| parabolic interpolation when possible to speed up convergence of | |
| the golden section method. | |
| Method :ref:`Golden <optimize.minimize_scalar-golden>` uses the | |
| golden section search technique [1]_. It uses analog of the bisection | |
| method to decrease the bracketed interval. It is usually | |
| preferable to use the *Brent* method. | |
| Method :ref:`Bounded <optimize.minimize_scalar-bounded>` can | |
| perform bounded minimization [2]_ [3]_. It uses the Brent method to find a | |
| local minimum in the interval x1 < xopt < x2. | |
| Note that the Brent and Golden methods do not guarantee success unless a | |
| valid ``bracket`` triple is provided. If a three-point bracket cannot be | |
| found, consider `scipy.optimize.minimize`. Also, all methods are intended | |
| only for local minimization. When the function of interest has more than | |
| one local minimum, consider :ref:`global_optimization`. | |
| **Custom minimizers** | |
| It may be useful to pass a custom minimization method, for example | |
| when using some library frontend to minimize_scalar. You can simply | |
| pass a callable as the ``method`` parameter. | |
| The callable is called as ``method(fun, args, **kwargs, **options)`` | |
| where ``kwargs`` corresponds to any other parameters passed to `minimize` | |
| (such as `bracket`, `tol`, etc.), except the `options` dict, which has | |
| its contents also passed as `method` parameters pair by pair. The method | |
| shall return an `OptimizeResult` object. | |
| The provided `method` callable must be able to accept (and possibly ignore) | |
| arbitrary parameters; the set of parameters accepted by `minimize` may | |
| expand in future versions and then these parameters will be passed to | |
| the method. You can find an example in the scipy.optimize tutorial. | |
| .. versionadded:: 0.11.0 | |
| References | |
| ---------- | |
| .. [1] Press, W., S.A. Teukolsky, W.T. Vetterling, and B.P. Flannery. | |
| Numerical Recipes in C. Cambridge University Press. | |
| .. [2] Forsythe, G.E., M. A. Malcolm, and C. B. Moler. "Computer Methods | |
| for Mathematical Computations." Prentice-Hall Series in Automatic | |
| Computation 259 (1977). | |
| .. [3] Brent, Richard P. Algorithms for Minimization Without Derivatives. | |
| Courier Corporation, 2013. | |
| Examples | |
| -------- | |
| Consider the problem of minimizing the following function. | |
| >>> def f(x): | |
| ... return (x - 2) * x * (x + 2)**2 | |
| Using the *Brent* method, we find the local minimum as: | |
| >>> from scipy.optimize import minimize_scalar | |
| >>> res = minimize_scalar(f) | |
| >>> res.fun | |
| -9.9149495908 | |
| The minimizer is: | |
| >>> res.x | |
| 1.28077640403 | |
| Using the *Bounded* method, we find a local minimum with specified | |
| bounds as: | |
| >>> res = minimize_scalar(f, bounds=(-3, -1), method='bounded') | |
| >>> res.fun # minimum | |
| 3.28365179850e-13 | |
| >>> res.x # minimizer | |
| -2.0000002026 | |
| """ | |
| if not isinstance(args, tuple): | |
| args = (args,) | |
| if callable(method): | |
| meth = "_custom" | |
| elif method is None: | |
| meth = 'brent' if bounds is None else 'bounded' | |
| else: | |
| meth = method.lower() | |
| if options is None: | |
| options = {} | |
| if bounds is not None and meth in {'brent', 'golden'}: | |
| message = f"Use of `bounds` is incompatible with 'method={method}'." | |
| raise ValueError(message) | |
| if tol is not None: | |
| options = dict(options) | |
| if meth == 'bounded' and 'xatol' not in options: | |
| warn("Method 'bounded' does not support relative tolerance in x; " | |
| "defaulting to absolute tolerance.", | |
| RuntimeWarning, stacklevel=2) | |
| options['xatol'] = tol | |
| elif meth == '_custom': | |
| options.setdefault('tol', tol) | |
| else: | |
| options.setdefault('xtol', tol) | |
| # replace boolean "disp" option, if specified, by an integer value. | |
| disp = options.get('disp') | |
| if isinstance(disp, bool): | |
| options['disp'] = 2 * int(disp) | |
| if meth == '_custom': | |
| res = method(fun, args=args, bracket=bracket, bounds=bounds, **options) | |
| elif meth == 'brent': | |
| res = _recover_from_bracket_error(_minimize_scalar_brent, | |
| fun, bracket, args, **options) | |
| elif meth == 'bounded': | |
| if bounds is None: | |
| raise ValueError('The `bounds` parameter is mandatory for ' | |
| 'method `bounded`.') | |
| res = _minimize_scalar_bounded(fun, bounds, args, **options) | |
| elif meth == 'golden': | |
| res = _recover_from_bracket_error(_minimize_scalar_golden, | |
| fun, bracket, args, **options) | |
| else: | |
| raise ValueError('Unknown solver %s' % method) | |
| # gh-16196 reported inconsistencies in the output shape of `res.x`. While | |
| # fixing this, future-proof it for when the function is vectorized: | |
| # the shape of `res.x` should match that of `res.fun`. | |
| res.fun = np.asarray(res.fun)[()] | |
| res.x = np.reshape(res.x, res.fun.shape)[()] | |
| return res | |
| def _remove_from_bounds(bounds, i_fixed): | |
| """Removes fixed variables from a `Bounds` instance""" | |
| lb = bounds.lb[~i_fixed] | |
| ub = bounds.ub[~i_fixed] | |
| return Bounds(lb, ub) # don't mutate original Bounds object | |
| def _remove_from_func(fun_in, i_fixed, x_fixed, min_dim=None, remove=0): | |
| """Wraps a function such that fixed variables need not be passed in""" | |
| def fun_out(x_in, *args, **kwargs): | |
| x_out = np.zeros_like(i_fixed, dtype=x_in.dtype) | |
| x_out[i_fixed] = x_fixed | |
| x_out[~i_fixed] = x_in | |
| y_out = fun_in(x_out, *args, **kwargs) | |
| y_out = np.array(y_out) | |
| if min_dim == 1: | |
| y_out = np.atleast_1d(y_out) | |
| elif min_dim == 2: | |
| y_out = np.atleast_2d(y_out) | |
| if remove == 1: | |
| y_out = y_out[..., ~i_fixed] | |
| elif remove == 2: | |
| y_out = y_out[~i_fixed, ~i_fixed] | |
| return y_out | |
| return fun_out | |
| def _add_to_array(x_in, i_fixed, x_fixed): | |
| """Adds fixed variables back to an array""" | |
| i_free = ~i_fixed | |
| if x_in.ndim == 2: | |
| i_free = i_free[:, None] @ i_free[None, :] | |
| x_out = np.zeros_like(i_free, dtype=x_in.dtype) | |
| x_out[~i_free] = x_fixed | |
| x_out[i_free] = x_in.ravel() | |
| return x_out | |
| def _validate_bounds(bounds, x0, meth): | |
| """Check that bounds are valid.""" | |
| msg = "An upper bound is less than the corresponding lower bound." | |
| if np.any(bounds.ub < bounds.lb): | |
| raise ValueError(msg) | |
| msg = "The number of bounds is not compatible with the length of `x0`." | |
| try: | |
| bounds.lb = np.broadcast_to(bounds.lb, x0.shape) | |
| bounds.ub = np.broadcast_to(bounds.ub, x0.shape) | |
| except Exception as e: | |
| raise ValueError(msg) from e | |
| return bounds | |
| def standardize_bounds(bounds, x0, meth): | |
| """Converts bounds to the form required by the solver.""" | |
| if meth in {'trust-constr', 'powell', 'nelder-mead', 'cobyla', 'new'}: | |
| if not isinstance(bounds, Bounds): | |
| lb, ub = old_bound_to_new(bounds) | |
| bounds = Bounds(lb, ub) | |
| elif meth in ('l-bfgs-b', 'tnc', 'slsqp', 'old'): | |
| if isinstance(bounds, Bounds): | |
| bounds = new_bounds_to_old(bounds.lb, bounds.ub, x0.shape[0]) | |
| return bounds | |
| def standardize_constraints(constraints, x0, meth): | |
| """Converts constraints to the form required by the solver.""" | |
| all_constraint_types = (NonlinearConstraint, LinearConstraint, dict) | |
| new_constraint_types = all_constraint_types[:-1] | |
| if constraints is None: | |
| constraints = [] | |
| elif isinstance(constraints, all_constraint_types): | |
| constraints = [constraints] | |
| else: | |
| constraints = list(constraints) # ensure it's a mutable sequence | |
| if meth in ['trust-constr', 'new']: | |
| for i, con in enumerate(constraints): | |
| if not isinstance(con, new_constraint_types): | |
| constraints[i] = old_constraint_to_new(i, con) | |
| else: | |
| # iterate over copy, changing original | |
| for i, con in enumerate(list(constraints)): | |
| if isinstance(con, new_constraint_types): | |
| old_constraints = new_constraint_to_old(con, x0) | |
| constraints[i] = old_constraints[0] | |
| constraints.extend(old_constraints[1:]) # appends 1 if present | |
| return constraints | |
| def _optimize_result_for_equal_bounds( | |
| fun, bounds, method, args=(), constraints=() | |
| ): | |
| """ | |
| Provides a default OptimizeResult for when a bounded minimization method | |
| has (lb == ub).all(). | |
| Parameters | |
| ---------- | |
| fun: callable | |
| bounds: Bounds | |
| method: str | |
| constraints: Constraint | |
| """ | |
| success = True | |
| message = 'All independent variables were fixed by bounds.' | |
| # bounds is new-style | |
| x0 = bounds.lb | |
| if constraints: | |
| message = ("All independent variables were fixed by bounds at values" | |
| " that satisfy the constraints.") | |
| constraints = standardize_constraints(constraints, x0, 'new') | |
| maxcv = 0 | |
| for c in constraints: | |
| pc = PreparedConstraint(c, x0) | |
| violation = pc.violation(x0) | |
| if np.sum(violation): | |
| maxcv = max(maxcv, np.max(violation)) | |
| success = False | |
| message = (f"All independent variables were fixed by bounds, but " | |
| f"the independent variables do not satisfy the " | |
| f"constraints exactly. (Maximum violation: {maxcv}).") | |
| return OptimizeResult( | |
| x=x0, fun=fun(x0, *args), success=success, message=message, nfev=1, | |
| njev=0, nhev=0, | |
| ) | |