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Aug 21

Towards Explainable In-the-Wild Video Quality Assessment: A Database and a Language-Prompted Approach

The proliferation of in-the-wild videos has greatly expanded the Video Quality Assessment (VQA) problem. Unlike early definitions that usually focus on limited distortion types, VQA on in-the-wild videos is especially challenging as it could be affected by complicated factors, including various distortions and diverse contents. Though subjective studies have collected overall quality scores for these videos, how the abstract quality scores relate with specific factors is still obscure, hindering VQA methods from more concrete quality evaluations (e.g. sharpness of a video). To solve this problem, we collect over two million opinions on 4,543 in-the-wild videos on 13 dimensions of quality-related factors, including in-capture authentic distortions (e.g. motion blur, noise, flicker), errors introduced by compression and transmission, and higher-level experiences on semantic contents and aesthetic issues (e.g. composition, camera trajectory), to establish the multi-dimensional Maxwell database. Specifically, we ask the subjects to label among a positive, a negative, and a neutral choice for each dimension. These explanation-level opinions allow us to measure the relationships between specific quality factors and abstract subjective quality ratings, and to benchmark different categories of VQA algorithms on each dimension, so as to more comprehensively analyze their strengths and weaknesses. Furthermore, we propose the MaxVQA, a language-prompted VQA approach that modifies vision-language foundation model CLIP to better capture important quality issues as observed in our analyses. The MaxVQA can jointly evaluate various specific quality factors and final quality scores with state-of-the-art accuracy on all dimensions, and superb generalization ability on existing datasets. Code and data available at https://github.com/VQAssessment/MaxVQA.

Granite-Function Calling Model: Introducing Function Calling Abilities via Multi-task Learning of Granular Tasks

Large language models (LLMs) have recently shown tremendous promise in serving as the backbone to agentic systems, as demonstrated by their performance in multi-faceted, challenging benchmarks like SWE-Bench and Agent-Bench. However, to realize the true potential of LLMs as autonomous agents, they must learn to identify, call, and interact with external tools and application program interfaces (APIs) to complete complex tasks. These tasks together are termed function calling. Endowing LLMs with function calling abilities leads to a myriad of advantages, such as access to current and domain-specific information in databases and knowledge sources, and the ability to outsource tasks that can be reliably performed by tools, e.g., a Python interpreter or calculator. While there has been significant progress in function calling with LLMs, there is still a dearth of open models that perform on par with proprietary LLMs like GPT, Claude, and Gemini. Therefore, in this work, we introduce the GRANITE-20B-FUNCTIONCALLING model under an Apache 2.0 license. The model is trained using a multi-task training approach on seven fundamental tasks encompassed in function calling, those being Nested Function Calling, Function Chaining, Parallel Functions, Function Name Detection, Parameter-Value Pair Detection, Next-Best Function, and Response Generation. We present a comprehensive evaluation on multiple out-of-domain datasets comparing GRANITE-20B-FUNCTIONCALLING to more than 15 other best proprietary and open models. GRANITE-20B-FUNCTIONCALLING provides the best performance among all open models on the Berkeley Function Calling Leaderboard and fourth overall. As a result of the diverse tasks and datasets used for training our model, we show that GRANITE-20B-FUNCTIONCALLING has better generalizability on multiple tasks in seven different evaluation datasets.

M3LEO: A Multi-Modal, Multi-Label Earth Observation Dataset Integrating Interferometric SAR and Multispectral Data

Satellite-based remote sensing has revolutionised the way we address global challenges. Huge quantities of Earth Observation (EO) data are generated by satellite sensors daily, but processing these large datasets for use in ML pipelines is technically and computationally challenging. While some preprocessed Earth observation datasets exist, their content is often limited to optical or near-optical wavelength data, which is ineffective at night or in adverse weather conditions. Synthetic Aperture Radar (SAR), an active sensing technique based on microwave length radiation, offers a viable alternative. However, the application of machine learning to SAR has been limited due to a lack of ML-ready data and pipelines, particularly for the full diversity of SAR data, including polarimetry, coherence and interferometry. In this work, we introduce M3LEO, a multi-modal, multi-label Earth observation dataset that includes polarimetric, interferometric, and coherence SAR data derived from Sentinel-1, alongside multispectral Sentinel-2 imagery and auxiliary data describing terrain properties such as land use. M3LEO spans approximately 17M 4x4 km data chips from six diverse geographic regions. The dataset is complemented by a flexible PyTorch Lightning framework configured using Hydra to accommodate its use across diverse ML applications in Earth observation. We provide tools to process any dataset available on popular platforms such as Google Earth Engine for seamless integration with our framework. We show that the distribution shift in self-supervised embeddings is substantial across geographic regions, even when controlling for terrain properties. Data: huggingface.co/M3LEO, Code: github.com/spaceml-org/M3LEO.

Matching Table Metadata with Business Glossaries Using Large Language Models

Enterprises often own large collections of structured data in the form of large databases or an enterprise data lake. Such data collections come with limited metadata and strict access policies that could limit access to the data contents and, therefore, limit the application of classic retrieval and analysis solutions. As a result, there is a need for solutions that can effectively utilize the available metadata. In this paper, we study the problem of matching table metadata to a business glossary containing data labels and descriptions. The resulting matching enables the use of an available or curated business glossary for retrieval and analysis without or before requesting access to the data contents. One solution to this problem is to use manually-defined rules or similarity measures on column names and glossary descriptions (or their vector embeddings) to find the closest match. However, such approaches need to be tuned through manual labeling and cannot handle many business glossaries that contain a combination of simple as well as complex and long descriptions. In this work, we leverage the power of large language models (LLMs) to design generic matching methods that do not require manual tuning and can identify complex relations between column names and glossaries. We propose methods that utilize LLMs in two ways: a) by generating additional context for column names that can aid with matching b) by using LLMs to directly infer if there is a relation between column names and glossary descriptions. Our preliminary experimental results show the effectiveness of our proposed methods.

HumBugDB: A Large-scale Acoustic Mosquito Dataset

This paper presents the first large-scale multi-species dataset of acoustic recordings of mosquitoes tracked continuously in free flight. We present 20 hours of audio recordings that we have expertly labelled and tagged precisely in time. Significantly, 18 hours of recordings contain annotations from 36 different species. Mosquitoes are well-known carriers of diseases such as malaria, dengue and yellow fever. Collecting this dataset is motivated by the need to assist applications which utilise mosquito acoustics to conduct surveys to help predict outbreaks and inform intervention policy. The task of detecting mosquitoes from the sound of their wingbeats is challenging due to the difficulty in collecting recordings from realistic scenarios. To address this, as part of the HumBug project, we conducted global experiments to record mosquitoes ranging from those bred in culture cages to mosquitoes captured in the wild. Consequently, the audio recordings vary in signal-to-noise ratio and contain a broad range of indoor and outdoor background environments from Tanzania, Thailand, Kenya, the USA and the UK. In this paper we describe in detail how we collected, labelled and curated the data. The data is provided from a PostgreSQL database, which contains important metadata such as the capture method, age, feeding status and gender of the mosquitoes. Additionally, we provide code to extract features and train Bayesian convolutional neural networks for two key tasks: the identification of mosquitoes from their corresponding background environments, and the classification of detected mosquitoes into species. Our extensive dataset is both challenging to machine learning researchers focusing on acoustic identification, and critical to entomologists, geo-spatial modellers and other domain experts to understand mosquito behaviour, model their distribution, and manage the threat they pose to humans.

Autoregressive Entity Retrieval

Entities are at the center of how we represent and aggregate knowledge. For instance, Encyclopedias such as Wikipedia are structured by entities (e.g., one per Wikipedia article). The ability to retrieve such entities given a query is fundamental for knowledge-intensive tasks such as entity linking and open-domain question answering. Current approaches can be understood as classifiers among atomic labels, one for each entity. Their weight vectors are dense entity representations produced by encoding entity meta information such as their descriptions. This approach has several shortcomings: (i) context and entity affinity is mainly captured through a vector dot product, potentially missing fine-grained interactions; (ii) a large memory footprint is needed to store dense representations when considering large entity sets; (iii) an appropriately hard set of negative data has to be subsampled at training time. In this work, we propose GENRE, the first system that retrieves entities by generating their unique names, left to right, token-by-token in an autoregressive fashion. This mitigates the aforementioned technical issues since: (i) the autoregressive formulation directly captures relations between context and entity name, effectively cross encoding both; (ii) the memory footprint is greatly reduced because the parameters of our encoder-decoder architecture scale with vocabulary size, not entity count; (iii) the softmax loss is computed without subsampling negative data. We experiment with more than 20 datasets on entity disambiguation, end-to-end entity linking and document retrieval tasks, achieving new state-of-the-art or very competitive results while using a tiny fraction of the memory footprint of competing systems. Finally, we demonstrate that new entities can be added by simply specifying their names. Code and pre-trained models at https://github.com/facebookresearch/GENRE.

PMC-Patients: A Large-scale Dataset of Patient Notes and Relations Extracted from Case Reports in PubMed Central

Objective: Data unavailability has been one of the biggest barriers in clinical natural language processing. This paper is aimed at providing a large-scale and publicly available patient note dataset, named PMC-Patients, with relevant articles and similar patients annotations. The ultimate goal of PMC-Patients is to facilitate the development of retrieval-based clinical decision support systems. Materials and Methods: To collect PMC-Patients, we extract patient notes from case reports in PubMed Central by recognizing certain section patterns. Patient-article relevance and patient-patient similarity are annotated by citation relationships in PubMed. In addition, we perform three tasks with PMC-Patients to demonstrate its utility in providing clinical decision support for a given patient, including (1) classifying whether another patient is similar, (2) retrieving similar patients in PMC-Patients, and (3) retrieving relevant articles in PubMed. Results: We collect and release PMC-Patients under the CC BY-NC-SA license, which becomes the largest publicly available patient note dataset so far. PMC-Patients contains 167k patient notes that are annotated with 3.1M relevant articles and 293k similar patients. Qualitative and quantitative analyses reveal the high quality and richness of our dataset. Experiments show that classifying the similarity of patient pairs is relatively easy, but it is hard to retrieve similar patients or relevant articles for a given patient from a large set of candidates. Conclusion: We present PMC-Patients, a large-scale dataset of patient notes with high quality, easy access, diverse conditions, and rich annotations. The proposed dataset can also serve as a hard benchmark for evaluating retrieval-based clinical decision support systems.

BiomedSQL: Text-to-SQL for Scientific Reasoning on Biomedical Knowledge Bases

Biomedical researchers increasingly rely on large-scale structured databases for complex analytical tasks. However, current text-to-SQL systems often struggle to map qualitative scientific questions into executable SQL, particularly when implicit domain reasoning is required. We introduce BiomedSQL, the first benchmark explicitly designed to evaluate scientific reasoning in text-to-SQL generation over a real-world biomedical knowledge base. BiomedSQL comprises 68,000 question/SQL query/answer triples grounded in a harmonized BigQuery knowledge base that integrates gene-disease associations, causal inference from omics data, and drug approval records. Each question requires models to infer domain-specific criteria, such as genome-wide significance thresholds, effect directionality, or trial phase filtering, rather than rely on syntactic translation alone. We evaluate a range of open- and closed-source LLMs across prompting strategies and interaction paradigms. Our results reveal a substantial performance gap: GPT-o3-mini achieves 59.0% execution accuracy, while our custom multi-step agent, BMSQL, reaches 62.6%, both well below the expert baseline of 90.0%. BiomedSQL provides a new foundation for advancing text-to-SQL systems capable of supporting scientific discovery through robust reasoning over structured biomedical knowledge bases. Our dataset is publicly available at https://huggingface.co/datasets/NIH-CARD/BiomedSQL, and our code is open-source at https://github.com/NIH-CARD/biomedsql.

BIOMEDICA: An Open Biomedical Image-Caption Archive, Dataset, and Vision-Language Models Derived from Scientific Literature

The development of vision-language models (VLMs) is driven by large-scale and diverse multimodal datasets. However, progress toward generalist biomedical VLMs is limited by the lack of annotated, publicly accessible datasets across biology and medicine. Existing efforts are restricted to narrow domains, missing the full diversity of biomedical knowledge encoded in scientific literature. To address this gap, we introduce BIOMEDICA, a scalable, open-source framework to extract, annotate, and serialize the entirety of the PubMed Central Open Access subset into an easy-to-use, publicly accessible dataset.Our framework produces a comprehensive archive with over 24 million unique image-text pairs from over 6 million articles. Metadata and expert-guided annotations are also provided. We demonstrate the utility and accessibility of our resource by releasing BMCA-CLIP, a suite of CLIP-style models continuously pre-trained on the BIOMEDICA dataset via streaming, eliminating the need to download 27 TB of data locally.On average, our models achieve state-of-the-art performance across 40 tasks - spanning pathology, radiology, ophthalmology, dermatology, surgery, molecular biology, parasitology, and cell biology - excelling in zero-shot classification with a 6.56% average improvement (as high as 29.8% and 17.5% in dermatology and ophthalmology, respectively), and stronger image-text retrieval, all while using 10x less compute. To foster reproducibility and collaboration, we release our codebase and dataset for the broader research community.

Standardized Benchmark Dataset for Localized Exposure to a Realistic Source at 10-90 GHz

The lack of freely available standardized datasets represents an aggravating factor during the development and testing the performance of novel computational techniques in exposure assessment and dosimetry research. This hinders progress as researchers are required to generate numerical data (field, power and temperature distribution) anew using simulation software for each exposure scenario. Other than being time consuming, this approach is highly susceptible to errors that occur during the configuration of the electromagnetic model. To address this issue, in this paper, the limited available data on the incident power density and resultant maximum temperature rise on the skin surface considering various steady-state exposure scenarios at 10-90 GHz have been statistically modeled. The synthetic data have been sampled from the fitted statistical multivariate distribution with respect to predetermined dosimetric constraints. We thus present a comprehensive and open-source dataset compiled of the high-fidelity numerical data considering various exposures to a realistic source. Furthermore, different surrogate models for predicting maximum temperature rise on the skin surface were fitted based on the synthetic dataset. All surrogate models were tested on the originally available data where satisfactory predictive performance has been demonstrated. A simple technique of combining quadratic polynomial and tensor-product spline surrogates, each operating on its own cluster of data, has achieved the lowest mean absolute error of 0.058 {\deg}C. Therefore, overall experimental results indicate the validity of the proposed synthetic dataset.

NatureLM: Deciphering the Language of Nature for Scientific Discovery

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers have developed foundation models for individual scientific domains, including small molecules, materials, proteins, DNA, and RNA. However, these models are typically trained in isolation, lacking the ability to integrate across different scientific domains. Recognizing that entities within these domains can all be represented as sequences, which together form the "language of nature", we introduce Nature Language Model (briefly, NatureLM), a sequence-based science foundation model designed for scientific discovery. Pre-trained with data from multiple scientific domains, NatureLM offers a unified, versatile model that enables various applications including: (i) generating and optimizing small molecules, proteins, RNA, and materials using text instructions; (ii) cross-domain generation/design, such as protein-to-molecule and protein-to-RNA generation; and (iii) achieving state-of-the-art performance in tasks like SMILES-to-IUPAC translation and retrosynthesis on USPTO-50k. NatureLM offers a promising generalist approach for various scientific tasks, including drug discovery (hit generation/optimization, ADMET optimization, synthesis), novel material design, and the development of therapeutic proteins or nucleotides. We have developed NatureLM models in different sizes (1 billion, 8 billion, and 46.7 billion parameters) and observed a clear improvement in performance as the model size increases.

Planck 2018 results. V. CMB power spectra and likelihoods

This paper describes the 2018 Planck CMB likelihoods, following a hybrid approach similar to the 2015 one, with different approximations at low and high multipoles, and implementing several methodological and analysis refinements. With more realistic simulations, and better correction and modelling of systematics, we can now make full use of the High Frequency Instrument polarization data. The low-multipole 100x143 GHz EE cross-spectrum constrains the reionization optical-depth parameter tau to better than 15% (in combination with with the other low- and high-ell likelihoods). We also update the 2015 baseline low-ell joint TEB likelihood based on the Low Frequency Instrument data, which provides a weaker tau constraint. At high multipoles, a better model of the temperature-to-polarization leakage and corrections for the effective calibrations of the polarization channels (polarization efficiency or PE) allow us to fully use the polarization spectra, improving the constraints on the LambdaCDM parameters by 20 to 30% compared to TT-only constraints. Tests on the modelling of the polarization demonstrate good consistency, with some residual modelling uncertainties, the accuracy of the PE modelling being the main limitation. Using our various tests, simulations, and comparison between different high-ell implementations, we estimate the consistency of the results to be better than the 0.5sigma level. Minor curiosities already present before (differences between ell<800 and ell>800 parameters or the preference for more smoothing of the C_ell peaks) are shown to be driven by the TT power spectrum and are not significantly modified by the inclusion of polarization. Overall, the legacy Planck CMB likelihoods provide a robust tool for constraining the cosmological model and represent a reference for future CMB observations. (Abridged)

AutoMIR: Effective Zero-Shot Medical Information Retrieval without Relevance Labels

Medical information retrieval (MIR) is essential for retrieving relevant medical knowledge from diverse sources, including electronic health records, scientific literature, and medical databases. However, achieving effective zero-shot dense retrieval in the medical domain poses substantial challenges due to the lack of relevance-labeled data. In this paper, we introduce a novel approach called Self-Learning Hypothetical Document Embeddings (SL-HyDE) to tackle this issue. SL-HyDE leverages large language models (LLMs) as generators to generate hypothetical documents based on a given query. These generated documents encapsulate key medical context, guiding a dense retriever in identifying the most relevant documents. The self-learning framework progressively refines both pseudo-document generation and retrieval, utilizing unlabeled medical corpora without requiring any relevance-labeled data. Additionally, we present the Chinese Medical Information Retrieval Benchmark (CMIRB), a comprehensive evaluation framework grounded in real-world medical scenarios, encompassing five tasks and ten datasets. By benchmarking ten models on CMIRB, we establish a rigorous standard for evaluating medical information retrieval systems. Experimental results demonstrate that SL-HyDE significantly surpasses existing methods in retrieval accuracy while showcasing strong generalization and scalability across various LLM and retriever configurations. CMIRB data and evaluation code are publicly available at: https://github.com/CMIRB-benchmark/CMIRB.

Mining experimental data from Materials Science literature with Large Language Models: an evaluation study

This study is dedicated to assessing the capabilities of large language models (LLMs) such as GPT-3.5-Turbo, GPT-4, and GPT-4-Turbo in extracting structured information from scientific documents in materials science. To this end, we primarily focus on two critical tasks of information extraction: (i) a named entity recognition (NER) of studied materials and physical properties and (ii) a relation extraction (RE) between these entities. Due to the evident lack of datasets within Materials Informatics (MI), we evaluated using SuperMat, based on superconductor research, and MeasEval, a generic measurement evaluation corpus. The performance of LLMs in executing these tasks is benchmarked against traditional models based on the BERT architecture and rule-based approaches (baseline). We introduce a novel methodology for the comparative analysis of intricate material expressions, emphasising the standardisation of chemical formulas to tackle the complexities inherent in materials science information assessment. For NER, LLMs fail to outperform the baseline with zero-shot prompting and exhibit only limited improvement with few-shot prompting. However, a GPT-3.5-Turbo fine-tuned with the appropriate strategy for RE outperforms all models, including the baseline. Without any fine-tuning, GPT-4 and GPT-4-Turbo display remarkable reasoning and relationship extraction capabilities after being provided with merely a couple of examples, surpassing the baseline. Overall, the results suggest that although LLMs demonstrate relevant reasoning skills in connecting concepts, specialised models are currently a better choice for tasks requiring extracting complex domain-specific entities like materials. These insights provide initial guidance applicable to other materials science sub-domains in future work.

MAG-SQL: Multi-Agent Generative Approach with Soft Schema Linking and Iterative Sub-SQL Refinement for Text-to-SQL

Recent In-Context Learning based methods have achieved remarkable success in Text-to-SQL task. However, there is still a large gap between the performance of these models and human performance on datasets with complex database schema and difficult questions, such as BIRD. Besides, existing work has neglected to supervise intermediate steps when solving questions iteratively with question decomposition methods, and the schema linking methods used in these works are very rudimentary. To address these issues, we propose MAG-SQL, a multi-agent generative approach with soft schema linking and iterative Sub-SQL refinement. In our framework, an entity-based method with tables' summary is used to select the columns in database, and a novel targets-conditions decomposition method is introduced to decompose those complex questions. Additionally, we build a iterative generating module which includes a Sub-SQL Generator and Sub-SQL Refiner, introducing external oversight for each step of generation. Through a series of ablation studies, the effectiveness of each agent in our framework has been demonstrated. When evaluated on the BIRD benchmark with GPT-4, MAG-SQL achieves an execution accuracy of 61.08\%, compared to the baseline accuracy of 46.35\% for vanilla GPT-4 and the baseline accuracy of 57.56\% for MAC-SQL. Besides, our approach makes similar progress on Spider.

What's In Your Field? Mapping Scientific Research with Knowledge Graphs and Large Language Models

The scientific literature's exponential growth makes it increasingly challenging to navigate and synthesize knowledge across disciplines. Large language models (LLMs) are powerful tools for understanding scientific text, but they fail to capture detailed relationships across large bodies of work. Unstructured approaches, like retrieval augmented generation, can sift through such corpora to recall relevant facts; however, when millions of facts influence the answer, unstructured approaches become cost prohibitive. Structured representations offer a natural complement -- enabling systematic analysis across the whole corpus. Recent work enhances LLMs with unstructured or semistructured representations of scientific concepts; to complement this, we try extracting structured representations using LLMs. By combining LLMs' semantic understanding with a schema of scientific concepts, we prototype a system that answers precise questions about the literature as a whole. Our schema applies across scientific fields and we extract concepts from it using only 20 manually annotated abstracts. To demonstrate the system, we extract concepts from 30,000 papers on arXiv spanning astrophysics, fluid dynamics, and evolutionary biology. The resulting database highlights emerging trends and, by visualizing the knowledge graph, offers new ways to explore the ever-growing landscape of scientific knowledge. Demo: abby101/surveyor-0 on HF Spaces. Code: https://github.com/chiral-carbon/kg-for-science.

Empowering Large Language Models in Wireless Communication: A Novel Dataset and Fine-Tuning Framework

In this work, we develop a specialized dataset aimed at enhancing the evaluation and fine-tuning of large language models (LLMs) specifically for wireless communication applications. The dataset includes a diverse set of multi-hop questions, including true/false and multiple-choice types, spanning varying difficulty levels from easy to hard. By utilizing advanced language models for entity extraction and question generation, rigorous data curation processes are employed to maintain high quality and relevance. Additionally, we introduce a Pointwise V-Information (PVI) based fine-tuning method, providing a detailed theoretical analysis and justification for its use in quantifying the information content of training data with 2.24\% and 1.31\% performance boost for different models compared to baselines, respectively. To demonstrate the effectiveness of the fine-tuned models with the proposed methodologies on practical tasks, we also consider different tasks, including summarizing optimization problems from technical papers and solving the mathematical problems related to non-orthogonal multiple access (NOMA), which are generated by using the proposed multi-agent framework. Simulation results show significant performance gain in summarization tasks with 20.9\% in the ROUGE-L metrics. We also study the scaling laws of fine-tuning LLMs and the challenges LLMs face in the field of wireless communications, offering insights into their adaptation to wireless communication tasks. This dataset and fine-tuning methodology aim to enhance the training and evaluation of LLMs, contributing to advancements in LLMs for wireless communication research and applications.

Biomed-Enriched: A Biomedical Dataset Enriched with LLMs for Pretraining and Extracting Rare and Hidden Content

We introduce Biomed-Enriched, a biomedical text dataset constructed from PubMed via a two-stage annotation process. In the first stage, a large language model annotates 400K paragraphs from PubMed scientific articles, assigning scores for their type (review, study, clinical case, other), domain (clinical, biomedical, other), and educational quality. The educational quality score (rated 1 to 5) estimates how useful a paragraph is for college-level learning. These annotations are then used to fine-tune a small language model, which propagates the labels across the full PMC-OA corpus. The resulting metadata allows us to extract refined subsets, including 2M clinical case paragraphs with over 450K high-quality ones from articles with commercial-use licenses, and to construct several variants via quality filtering and domain upsampling. Clinical text is typically difficult to access due to privacy constraints, as hospital records cannot be publicly shared. Hence, our dataset provides an alternative large-scale, openly available collection of clinical cases from PubMed, making it a valuable resource for biomedical and clinical NLP. Preliminary continual-pretraining experiments with OLMo2 suggest these curated subsets enable targeted improvements, with clinical upsampling boosting performance by ~5% on MMLU ProfMed and educational quality filtering improving MedQA and MedMCQA by ~1%. Combinations of these techniques led to faster convergence, reaching same performance with a third of training tokens, indicating potential for more efficient and effective biomedical pretraining strategies.

Magneto: Combining Small and Large Language Models for Schema Matching

Recent advances in language models opened new opportunities to address complex schema matching tasks. Schema matching approaches have been proposed that demonstrate the usefulness of language models, but they have also uncovered important limitations: Small language models (SLMs) require training data (which can be both expensive and challenging to obtain), and large language models (LLMs) often incur high computational costs and must deal with constraints imposed by context windows. We present Magneto, a cost-effective and accurate solution for schema matching that combines the advantages of SLMs and LLMs to address their limitations. By structuring the schema matching pipeline in two phases, retrieval and reranking, Magneto can use computationally efficient SLM-based strategies to derive candidate matches which can then be reranked by LLMs, thus making it possible to reduce runtime without compromising matching accuracy. We propose a self-supervised approach to fine-tune SLMs which uses LLMs to generate syntactically diverse training data, and prompting strategies that are effective for reranking. We also introduce a new benchmark, developed in collaboration with domain experts, which includes real biomedical datasets and presents new challenges to schema matching methods. Through a detailed experimental evaluation, using both our new and existing benchmarks, we show that Magneto is scalable and attains high accuracy for datasets from different domains.

A multi-messenger hierarchical triple merger gravitational-wave event pair GW190514-GW190521 inside AGN J124942.3 + 344929

There is a candidate electromagnetic counterpart to the binary black hole merger GW190521, identified as ZTF19abanrhr within AGN J124942.3 + 344929. Additionally, GW190514 is proposed as a plausible precursor merger to GW190521 within a hierarchical merger scenario. In this study, we investigate the potential association between GW190514 and GW190521 as a hierarchical triple merger associated with ZTF19abanrhr, taking into account of sky position, distance, and mass of the sources using a Bayesian criterion. Our analysis reveals that the association is favored over a random coincidence, with a log Bayes factor of 16.8, corresponding to an odds ratio of sim199:1, assuming an astrophysical prior odds of 10^{-5}. Notably, when accounting for the primary masses of the two gravitational wave events as potential products of mergers in the AGN formation channel, the Bayes factor increases significantly, further enhancing the preference for this association by a factor of sim10^2, corresponding to a log Bayes factor of 21.5 and an odds ratio of sim2times10^4:1. Our results suggest strong evidence for the first hierarchical triple merger associated with an electromagnetic counterpart in the AGN formation channel. This work is crucial for understanding the formation mechanisms of massive black holes, the role of AGNs in hierarchical mergers, and the implications of multi-messenger astronomy.

MetaGen Blended RAG: Higher Accuracy for Domain-Specific Q&A Without Fine-Tuning

Despite the widespread exploration of Retrieval-Augmented Generation (RAG), its deployment in enterprises for domain-specific datasets remains limited due to poor answer accuracy. These corpora, often shielded behind firewalls in private enterprise knowledge bases, having complex, domain-specific terminology, rarely seen by LLMs during pre-training; exhibit significant semantic variability across domains (like networking, military, or legal, etc.), or even within a single domain like medicine, and thus result in poor context precision for RAG systems. Currently, in such situations, fine-tuning or RAG with fine-tuning is attempted, but these approaches are slow, expensive, and lack generalization for accuracy as the new domain-specific data emerges. We propose an approach for Enterprise Search that focuses on enhancing the retriever for a domain-specific corpus through hybrid query indexes and metadata enrichment. This 'MetaGen Blended RAG' method constructs a metadata generation pipeline using key concepts, topics, and acronyms, and then creates a metadata-enriched hybrid index with boosted search queries. This approach avoids overfitting and generalizes effectively across domains. On the PubMedQA benchmark for the biomedical domain, the proposed method achieves 82% retrieval accuracy and 77% RAG accuracy, surpassing all previous RAG accuracy results without fine-tuning and sets a new benchmark for zero-shot results while outperforming much larger models like GPT3.5. The results are even comparable to the best fine-tuned models on this dataset, and we further demonstrate the robustness and scalability of the approach by evaluating it on other Q&A datasets like SQuAD, NQ etc.

UFineBench: Towards Text-based Person Retrieval with Ultra-fine Granularity

Existing text-based person retrieval datasets often have relatively coarse-grained text annotations. This hinders the model to comprehend the fine-grained semantics of query texts in real scenarios. To address this problem, we contribute a new benchmark named UFineBench for text-based person retrieval with ultra-fine granularity. Firstly, we construct a new dataset named UFine6926. We collect a large number of person images and manually annotate each image with two detailed textual descriptions, averaging 80.8 words each. The average word count is three to four times that of the previous datasets. In addition of standard in-domain evaluation, we also propose a special evaluation paradigm more representative of real scenarios. It contains a new evaluation set with cross domains, cross textual granularity and cross textual styles, named UFine3C, and a new evaluation metric for accurately measuring retrieval ability, named mean Similarity Distribution (mSD). Moreover, we propose CFAM, a more efficient algorithm especially designed for text-based person retrieval with ultra fine-grained texts. It achieves fine granularity mining by adopting a shared cross-modal granularity decoder and hard negative match mechanism. With standard in-domain evaluation, CFAM establishes competitive performance across various datasets, especially on our ultra fine-grained UFine6926. Furthermore, by evaluating on UFine3C, we demonstrate that training on our UFine6926 significantly improves generalization to real scenarios compared with other coarse-grained datasets. The dataset and code will be made publicly available at https://github.com/Zplusdragon/UFineBench.

Contrastive Learning and Mixture of Experts Enables Precise Vector Embeddings

The advancement of transformer neural networks has significantly elevated the capabilities of sentence similarity models, particularly in creating effective vector representations of natural language inputs. However, these models face notable challenges in domain-specific contexts, especially in highly specialized scientific sub-fields. Traditional methods often struggle in this regime, either overgeneralizing similarities within a niche or being overly sensitive to minor differences, resulting in inaccurate text classification and subpar vector representation. In an era where retrieval augmentation and search are increasingly crucial, precise and concise numerical representations are essential. In this paper, we target this issue by assembling niche datasets using co-citations as a similarity metric, focusing on biomedical domains. We employ two key strategies for fine-tuning state-of-the-art models: 1. Domain-specific Fine-Tuning, which tailors pretrained models to a single domain, and 2. Universal Applicability with Mixture of Experts (MoE), adapting pretrained models with enforced routing for multiple domains simultaneously. Our training approach emphasizes the use of abstracts for faster training, incorporating Multiple Negative Rankings loss for efficient contrastive learning. Notably, our MoE variants, equipped with N experts, achieve the efficacy of N individual models, heralding a new era of versatile, One-Size-Fits-All transformer networks for various tasks. This methodology marks significant advancements in scientific text classification metrics and holds promise for enhancing vector database search and compilation.

MetamatBench: Integrating Heterogeneous Data, Computational Tools, and Visual Interface for Metamaterial Discovery

Metamaterials, engineered materials with architected structures across multiple length scales, offer unprecedented and tunable mechanical properties that surpass those of conventional materials. However, leveraging advanced machine learning (ML) for metamaterial discovery is hindered by three fundamental challenges: (C1) Data Heterogeneity Challenge arises from heterogeneous data sources, heterogeneous composition scales, and heterogeneous structure categories; (C2) Model Complexity Challenge stems from the intricate geometric constraints of ML models, which complicate their adaptation to metamaterial structures; and (C3) Human-AI Collaboration Challenge comes from the "dual black-box'' nature of sophisticated ML models and the need for intuitive user interfaces. To tackle these challenges, we introduce a unified framework, named MetamatBench, that operates on three levels. (1) At the data level, we integrate and standardize 5 heterogeneous, multi-modal metamaterial datasets. (2) The ML level provides a comprehensive toolkit that adapts 17 state-of-the-art ML methods for metamaterial discovery. It also includes a comprehensive evaluation suite with 12 novel performance metrics with finite element-based assessments to ensure accurate and reliable model validation. (3) The user level features a visual-interactive interface that bridges the gap between complex ML techniques and non-ML researchers, advancing property prediction and inverse design of metamaterials for research and applications. MetamatBench offers a unified platform deployed at http://zhoulab-1.cs.vt.edu:5550 that enables machine learning researchers and practitioners to develop and evaluate new methodologies in metamaterial discovery. For accessibility and reproducibility, we open-source our benchmark and the codebase at https://github.com/cjpcool/Metamaterial-Benchmark.

INDUS: Effective and Efficient Language Models for Scientific Applications

Large language models (LLMs) trained on general domain corpora showed remarkable results on natural language processing (NLP) tasks. However, previous research demonstrated LLMs trained using domain-focused corpora perform better on specialized tasks. Inspired by this pivotal insight, we developed INDUS, a comprehensive suite of LLMs tailored for the Earth science, biology, physics, heliophysics, planetary sciences and astrophysics domains and trained using curated scientific corpora drawn from diverse data sources. The suite of models include: (1) an encoder model trained using domain-specific vocabulary and corpora to address natural language understanding tasks, (2) a contrastive-learning-based general text embedding model trained using a diverse set of datasets drawn from multiple sources to address information retrieval tasks and (3) smaller versions of these models created using knowledge distillation techniques to address applications which have latency or resource constraints. We also created three new scientific benchmark datasets namely, CLIMATE-CHANGE-NER (entity-recognition), NASA-QA (extractive QA) and NASA-IR (IR) to accelerate research in these multi-disciplinary fields. Finally, we show that our models outperform both general-purpose encoders (RoBERTa) and existing domain-specific encoders (SciBERT) on these new tasks as well as existing benchmark tasks in the domains of interest.

Metasql: A Generate-then-Rank Framework for Natural Language to SQL Translation

The Natural Language Interface to Databases (NLIDB) empowers non-technical users with database access through intuitive natural language (NL) interactions. Advanced approaches, utilizing neural sequence-to-sequence models or large-scale language models, typically employ auto-regressive decoding to generate unique SQL queries sequentially. While these translation models have greatly improved the overall translation accuracy, surpassing 70% on NLIDB benchmarks, the use of auto-regressive decoding to generate single SQL queries may result in sub-optimal outputs, potentially leading to erroneous translations. In this paper, we propose Metasql, a unified generate-then-rank framework that can be flexibly incorporated with existing NLIDBs to consistently improve their translation accuracy. Metasql introduces query metadata to control the generation of better SQL query candidates and uses learning-to-rank algorithms to retrieve globally optimized queries. Specifically, Metasql first breaks down the meaning of the given NL query into a set of possible query metadata, representing the basic concepts of the semantics. These metadata are then used as language constraints to steer the underlying translation model toward generating a set of candidate SQL queries. Finally, Metasql ranks the candidates to identify the best matching one for the given NL query. Extensive experiments are performed to study Metasql on two public NLIDB benchmarks. The results show that the performance of the translation models can be effectively improved using Metasql.

Comparison of biomedical relationship extraction methods and models for knowledge graph creation

Biomedical research is growing at such an exponential pace that scientists, researchers, and practitioners are no more able to cope with the amount of published literature in the domain. The knowledge presented in the literature needs to be systematized in such a way that claims and hypotheses can be easily found, accessed, and validated. Knowledge graphs can provide such a framework for semantic knowledge representation from literature. However, in order to build a knowledge graph, it is necessary to extract knowledge as relationships between biomedical entities and normalize both entities and relationship types. In this paper, we present and compare few rule-based and machine learning-based (Naive Bayes, Random Forests as examples of traditional machine learning methods and DistilBERT, PubMedBERT, T5 and SciFive-based models as examples of modern deep learning transformers) methods for scalable relationship extraction from biomedical literature, and for the integration into the knowledge graphs. We examine how resilient are these various methods to unbalanced and fairly small datasets. Our experiments show that transformer-based models handle well both small (due to pre-training on a large dataset) and unbalanced datasets. The best performing model was the PubMedBERT-based model fine-tuned on balanced data, with a reported F1-score of 0.92. DistilBERT-based model followed with F1-score of 0.89, performing faster and with lower resource requirements. BERT-based models performed better then T5-based generative models.

Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets

Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, where datasets are often hand-curated, and hence typically small, the lack of datasets with labeled features, and codebases to manage those datasets, has hindered the development of foundation models. In this work, we present seven novel datasets categorized by size into three distinct categories: ToyMix, LargeMix and UltraLarge. These datasets push the boundaries in both the scale and the diversity of supervised labels for molecular learning. They cover nearly 100 million molecules and over 3000 sparsely defined tasks, totaling more than 13 billion individual labels of both quantum and biological nature. In comparison, our datasets contain 300 times more data points than the widely used OGB-LSC PCQM4Mv2 dataset, and 13 times more than the quantum-only QM1B dataset. In addition, to support the development of foundational models based on our proposed datasets, we present the Graphium graph machine learning library which simplifies the process of building and training molecular machine learning models for multi-task and multi-level molecular datasets. Finally, we present a range of baseline results as a starting point of multi-task and multi-level training on these datasets. Empirically, we observe that performance on low-resource biological datasets show improvement by also training on large amounts of quantum data. This indicates that there may be potential in multi-task and multi-level training of a foundation model and fine-tuning it to resource-constrained downstream tasks.

Revisiting Table Detection Datasets for Visually Rich Documents

Table Detection has become a fundamental task for visually rich document understanding with the surging number of electronic documents. However, popular public datasets widely used in related studies have inherent limitations, including noisy and inconsistent samples, limited training samples, and limited data sources. These limitations make these datasets unreliable to evaluate the model performance and cannot reflect the actual capacity of models. Therefore, this study revisits some open datasets with high-quality annotations, identifies and cleans the noise, and aligns the annotation definitions of these datasets to merge a larger dataset, termed Open-Tables. Moreover, to enrich the data sources, we propose a new ICT-TD dataset using the PDF files of Information and Communication Technologies (ICT) commodities, a different domain containing unique samples that hardly appear in open datasets. To ensure the label quality of the dataset, we annotated the dataset manually following the guidance of a domain expert. The proposed dataset is challenging and can be a sample of actual cases in the business context. We built strong baselines using various state-of-the-art object detection models. Our experimental results show that the domain differences among existing open datasets are minor despite having different data sources. Our proposed Open-Tables and ICT-TD can provide a more reliable evaluation for models because of their high quality and consistent annotations. Besides, they are more suitable for cross-domain settings. Our experimental results show that in the cross-domain setting, benchmark models trained with cleaned Open-Tables dataset can achieve 0.6\%-2.6\% higher weighted average F1 than the corresponding ones trained with the noisy version of Open-Tables, demonstrating the reliability of the proposed datasets. The datasets are public available.

BAMBOO: a predictive and transferable machine learning force field framework for liquid electrolyte development

Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the backbone of BAMBOO to learn from quantum mechanical simulations. Additionally, we pioneer an ensemble knowledge distillation approach and apply it on MLFFs to improve the stability of MD simulations. Finally, we propose the density alignment algorithm to align BAMBOO with experimental measurements. BAMBOO demonstrates state-of-the-art accuracy in predicting key electrolyte properties such as density, viscosity, and ionic conductivity across various solvents and salt combinations. Our current model, trained on more than 15 chemical species, achieves the average density error of 0.01 g/cm^3 on various compositions compared with experimental data. Moreover, our model demonstrates transferability to molecules not included in the quantum mechanical dataset. We envision this work as paving the way to a "universal MLFF" capable of simulating properties of common organic liquids.

Radiation-magnetohydrodynamics with MPI-AMRVAC using flux-limited diffusion

Context. Radiation plays a significant role in solar and astrophysical environments as it may constitute a sizeable fraction of the energy density, momentum flux, and the total pressure. Modelling the dynamic interaction between radiation and magnetized plasmas in such environments is an intricate and computationally costly task. Aims. The goal of this work is to demonstrate the capabilities of the open-source parallel, block-adaptive computational framework MPI-AMRVAC, in solving equations of radiation-magnetohydrodynamics (RMHD), and to present benchmark test cases relevant for radiation-dominated magnetized plasmas. Methods. The existing magnetohydrodynamics (MHD) and flux-limited diffusion (FLD) radiative-hydrodynamics physics modules are combined to solve the equations of radiation-magnetohydrodynamics (RMHD) on block-adaptive finite volume Cartesian meshes in any dimensionality. Results. We introduce and validate several benchmark test cases such as steady radiative MHD shocks, radiation-damped linear MHD waves, radiation-modified Riemann problems and a multi-dimensional radiative magnetoconvection case. We recall the basic governing Rankine-Hugoniot relations for shocks and the dispersion relation for linear MHD waves in the presence of optically thick radiation fields where the diffusion limit is reached. The RMHD system allows for 8 linear wave types, where the classical 7-wave MHD picture (entropy and three wave pairs for slow, Alfven and fast) is augmented with a radiative diffusion mode. Conclusions. The MPI-AMRVAC code now has the capability to perform multidimensional RMHD simulations with mesh adaptation making it well-suited for larger scientific applications to study magnetized matter-radiation interactions in solar and stellar interiors and atmospheres.

Bioformer: an efficient transformer language model for biomedical text mining

Pretrained language models such as Bidirectional Encoder Representations from Transformers (BERT) have achieved state-of-the-art performance in natural language processing (NLP) tasks. Recently, BERT has been adapted to the biomedical domain. Despite the effectiveness, these models have hundreds of millions of parameters and are computationally expensive when applied to large-scale NLP applications. We hypothesized that the number of parameters of the original BERT can be dramatically reduced with minor impact on performance. In this study, we present Bioformer, a compact BERT model for biomedical text mining. We pretrained two Bioformer models (named Bioformer8L and Bioformer16L) which reduced the model size by 60% compared to BERTBase. Bioformer uses a biomedical vocabulary and was pre-trained from scratch on PubMed abstracts and PubMed Central full-text articles. We thoroughly evaluated the performance of Bioformer as well as existing biomedical BERT models including BioBERT and PubMedBERT on 15 benchmark datasets of four different biomedical NLP tasks: named entity recognition, relation extraction, question answering and document classification. The results show that with 60% fewer parameters, Bioformer16L is only 0.1% less accurate than PubMedBERT while Bioformer8L is 0.9% less accurate than PubMedBERT. Both Bioformer16L and Bioformer8L outperformed BioBERTBase-v1.1. In addition, Bioformer16L and Bioformer8L are 2-3 fold as fast as PubMedBERT/BioBERTBase-v1.1. Bioformer has been successfully deployed to PubTator Central providing gene annotations over 35 million PubMed abstracts and 5 million PubMed Central full-text articles. We make Bioformer publicly available via https://github.com/WGLab/bioformer, including pre-trained models, datasets, and instructions for downstream use.

Taec: a Manually annotated text dataset for trait and phenotype extraction and entity linking in wheat breeding literature

Wheat varieties show a large diversity of traits and phenotypes. Linking them to genetic variability is essential for shorter and more efficient wheat breeding programs. Newly desirable wheat variety traits include disease resistance to reduce pesticide use, adaptation to climate change, resistance to heat and drought stresses, or low gluten content of grains. Wheat breeding experiments are documented by a large body of scientific literature and observational data obtained in-field and under controlled conditions. The cross-referencing of complementary information from the literature and observational data is essential to the study of the genotype-phenotype relationship and to the improvement of wheat selection. The scientific literature on genetic marker-assisted selection describes much information about the genotype-phenotype relationship. However, the variety of expressions used to refer to traits and phenotype values in scientific articles is a hinder to finding information and cross-referencing it. When trained adequately by annotated examples, recent text mining methods perform highly in named entity recognition and linking in the scientific domain. While several corpora contain annotations of human and animal phenotypes, currently, no corpus is available for training and evaluating named entity recognition and entity-linking methods in plant phenotype literature. The Triticum aestivum trait Corpus is a new gold standard for traits and phenotypes of wheat. It consists of 540 PubMed references fully annotated for trait, phenotype, and species named entities using the Wheat Trait and Phenotype Ontology and the species taxonomy of the National Center for Biotechnology Information. A study of the performance of tools trained on the Triticum aestivum trait Corpus shows that the corpus is suitable for the training and evaluation of named entity recognition and linking.

Improving Medical Reasoning through Retrieval and Self-Reflection with Retrieval-Augmented Large Language Models

Recent proprietary large language models (LLMs), such as GPT-4, have achieved a milestone in tackling diverse challenges in the biomedical domain, ranging from multiple-choice questions to long-form generations. To address challenges that still cannot be handled with the encoded knowledge of LLMs, various retrieval-augmented generation (RAG) methods have been developed by searching documents from the knowledge corpus and appending them unconditionally or selectively to the input of LLMs for generation. However, when applying existing methods to different domain-specific problems, poor generalization becomes apparent, leading to fetching incorrect documents or making inaccurate judgments. In this paper, we introduce Self-BioRAG, a framework reliable for biomedical text that specializes in generating explanations, retrieving domain-specific documents, and self-reflecting generated responses. We utilize 84k filtered biomedical instruction sets to train Self-BioRAG that can assess its generated explanations with customized reflective tokens. Our work proves that domain-specific components, such as a retriever, domain-related document corpus, and instruction sets are necessary for adhering to domain-related instructions. Using three major medical question-answering benchmark datasets, experimental results of Self-BioRAG demonstrate significant performance gains by achieving a 7.2% absolute improvement on average over the state-of-the-art open-foundation model with a parameter size of 7B or less. Overall, we analyze that Self-BioRAG finds the clues in the question, retrieves relevant documents if needed, and understands how to answer with information from retrieved documents and encoded knowledge as a medical expert does. We release our data and code for training our framework components and model weights (7B and 13B) to enhance capabilities in biomedical and clinical domains.

Enhancing Knowledge Retrieval with In-Context Learning and Semantic Search through Generative AI

Retrieving and extracting knowledge from extensive research documents and large databases presents significant challenges for researchers, students, and professionals in today's information-rich era. Existing retrieval systems, which rely on general-purpose Large Language Models (LLMs), often fail to provide accurate responses to domain-specific inquiries. Additionally, the high cost of pretraining or fine-tuning LLMs for specific domains limits their widespread adoption. To address these limitations, we propose a novel methodology that combines the generative capabilities of LLMs with the fast and accurate retrieval capabilities of vector databases. This advanced retrieval system can efficiently handle both tabular and non-tabular data, understand natural language user queries, and retrieve relevant information without fine-tuning. The developed model, Generative Text Retrieval (GTR), is adaptable to both unstructured and structured data with minor refinement. GTR was evaluated on both manually annotated and public datasets, achieving over 90% accuracy and delivering truthful outputs in 87% of cases. Our model achieved state-of-the-art performance with a Rouge-L F1 score of 0.98 on the MSMARCO dataset. The refined model, Generative Tabular Text Retrieval (GTR-T), demonstrated its efficiency in large database querying, achieving an Execution Accuracy (EX) of 0.82 and an Exact-Set-Match (EM) accuracy of 0.60 on the Spider dataset, using an open-source LLM. These efforts leverage Generative AI and In-Context Learning to enhance human-text interaction and make advanced AI capabilities more accessible. By integrating robust retrieval systems with powerful LLMs, our approach aims to democratize access to sophisticated AI tools, improving the efficiency, accuracy, and scalability of AI-driven information retrieval and database querying.

A helical magnetic field in quasar NRAO150 revealed by Faraday rotation

Active Galactic Nuclei (AGN) are some of the most luminous and extreme environments in the Universe. The central engines of AGN, believed to be super-massive black-holes, are fed by accretion discs threaded by magnetic fields within a dense magneto-ionic medium. We report our findings from polarimetric Very-long-baseline Interferometry (VLBI) observations of quasar NRAO150 taken in October 2022 using a combined network of the Very Long Baseline Array (VLBA) and Effelsberg 100-m Radio Telescope. These observations are the first co-temporal multi-frequency polarimetric VLBI observations of NRAO150 at frequencies above 15GHz. We use the new VLBI polarization calibration procedure, GPCAL, with polarization observations of frequencies of 12GHz, 15GHz, 24GHz, and 43GHz of NRAO150. From these observations, we measure Faraday rotation. Using our measurement of Faraday rotation, we also derive the intrinsic electric vector position angle (EVPA0) for the source. As a complementary measurement we determine the behavior of polarization as a function of observed frequency. The polarization from NRAO150 only comes from the core region, with a peak polarization intensity occurring at 24GHz. Across the core region of NRAO150 we see clear gradients in Faraday rotation and EVPA0 values that are aligned with the direction of the jet curving around the core region. We find that for the majority of the polarized region the polarization fraction is greater at higher frequencies, with intrinsic polarization fractions in the core 3%. The Faraday rotation gradients and circular patterns in EVPA0 are strong evidence for a helical/toroidal magnetic field, and the presence of low intrinsic polarization fractions indicate that the polarized emission and hence the helical/toroidal magnetic field, occur within the innermost jet.

Relation Extraction in underexplored biomedical domains: A diversity-optimised sampling and synthetic data generation approach

The sparsity of labelled data is an obstacle to the development of Relation Extraction models and the completion of databases in various biomedical areas. While being of high interest in drug-discovery, the natural-products literature, reporting the identification of potential bioactive compounds from organisms, is a concrete example of such an overlooked topic. To mark the start of this new task, we created the first curated evaluation dataset and extracted literature items from the LOTUS database to build training sets. To this end, we developed a new sampler inspired by diversity metrics in ecology, named Greedy Maximum Entropy sampler, or GME-sampler (https://github.com/idiap/gme-sampler). The strategic optimization of both balance and diversity of the selected items in the evaluation set is important given the resource-intensive nature of manual curation. After quantifying the noise in the training set, in the form of discrepancies between the input abstracts text and the expected output labels, we explored different strategies accordingly. Framing the task as an end-to-end Relation Extraction, we evaluated the performance of standard fine-tuning as a generative task and few-shot learning with open Large Language Models (LLaMA 7B-65B). In addition to their evaluation in few-shot settings, we explore the potential of open Large Language Models (Vicuna-13B) as synthetic data generator and propose a new workflow for this purpose. All evaluated models exhibited substantial improvements when fine-tuned on synthetic abstracts rather than the original noisy data. We provide our best performing (f1-score=59.0) BioGPT-Large model for end-to-end RE of natural-products relationships along with all the generated synthetic data and the evaluation dataset. See more details at https://github.com/idiap/abroad-re.

XiYan-SQL: A Multi-Generator Ensemble Framework for Text-to-SQL

To tackle the challenges of large language model performance in natural language to SQL tasks, we introduce XiYan-SQL, an innovative framework that employs a multi-generator ensemble strategy to improve candidate generation. We introduce M-Schema, a semi-structured schema representation method designed to enhance the understanding of database structures. To enhance the quality and diversity of generated candidate SQL queries, XiYan-SQL integrates the significant potential of in-context learning (ICL) with the precise control of supervised fine-tuning. On one hand, we propose a series of training strategies to fine-tune models to generate high-quality candidates with diverse preferences. On the other hand, we implement the ICL approach with an example selection method based on named entity recognition to prevent overemphasis on entities. The refiner optimizes each candidate by correcting logical or syntactical errors. To address the challenge of identifying the best candidate, we fine-tune a selection model to distinguish nuances of candidate SQL queries. The experimental results on multiple dialect datasets demonstrate the robustness of XiYan-SQL in addressing challenges across different scenarios. Overall, our proposed XiYan-SQL achieves the state-of-the-art execution accuracy of 89.65% on the Spider test set, 69.86% on SQL-Eval, 41.20% on NL2GQL, and a competitive score of 72.23% on the Bird development benchmark. The proposed framework not only enhances the quality and diversity of SQL queries but also outperforms previous methods.

WeatherQA: Can Multimodal Language Models Reason about Severe Weather?

Severe convective weather events, such as hail, tornadoes, and thunderstorms, often occur quickly yet cause significant damage, costing billions of dollars every year. This highlights the importance of forecasting severe weather threats hours in advance to better prepare meteorologists and residents in at-risk areas. Can modern large foundation models perform such forecasting? Existing weather benchmarks typically focus only on predicting time-series changes in certain weather parameters (e.g., temperature, moisture) with text-only features. In this work, we introduce WeatherQA, the first multimodal dataset designed for machines to reason about complex combinations of weather parameters (a.k.a., ingredients) and predict severe weather in real-world scenarios. The dataset includes over 8,000 (multi-images, text) pairs for diverse severe weather events. Each pair contains rich information crucial for forecasting -- the images describe the ingredients capturing environmental instability, surface observations, and radar reflectivity, and the text contains forecast analyses written by human experts. With WeatherQA, we evaluate state-of-the-art vision language models, including GPT4, Claude3.5, Gemini-1.5, and a fine-tuned Llama3-based VLM, by designing two challenging tasks: (1) multi-choice QA for predicting affected area and (2) classification of the development potential of severe convection. These tasks require deep understanding of domain knowledge (e.g., atmospheric dynamics) and complex reasoning over multimodal data (e.g., interactions between weather parameters). We show a substantial gap between the strongest VLM, GPT4o, and human reasoning. Our comprehensive case study with meteorologists further reveals the weaknesses of the models, suggesting that better training and data integration are necessary to bridge this gap. WeatherQA link: https://github.com/chengqianma/WeatherQA.

Remember, Retrieve and Generate: Understanding Infinite Visual Concepts as Your Personalized Assistant

The development of large language models (LLMs) has significantly enhanced the capabilities of multimodal LLMs (MLLMs) as general assistants. However, lack of user-specific knowledge still restricts their application in human's daily life. In this paper, we introduce the Retrieval Augmented Personalization (RAP) framework for MLLMs' personalization. Starting from a general MLLM, we turn it into a personalized assistant in three steps. (a) Remember: We design a key-value database to store user-related information, e.g., user's name, avatar and other attributes. (b) Retrieve: When the user initiates a conversation, RAP will retrieve relevant information from the database using a multimodal retriever. (c) Generate: The input query and retrieved concepts' information are fed into MLLMs to generate personalized, knowledge-augmented responses. Unlike previous methods, RAP allows real-time concept editing via updating the external database. To further improve generation quality and alignment with user-specific information, we design a pipeline for data collection and create a specialized dataset for personalized training of MLLMs. Based on the dataset, we train a series of MLLMs as personalized multimodal assistants. By pretraining on large-scale dataset, RAP-MLLMs can generalize to infinite visual concepts without additional finetuning. Our models demonstrate outstanding flexibility and generation quality across a variety of tasks, such as personalized image captioning, question answering and visual recognition. The code, data and models are available at https://github.com/Hoar012/RAP-MLLM.

OpenMed NER: Open-Source, Domain-Adapted State-of-the-Art Transformers for Biomedical NER Across 12 Public Datasets

Named-entity recognition (NER) is fundamental to extracting structured information from the >80% of healthcare data that resides in unstructured clinical notes and biomedical literature. Despite recent advances with large language models, achieving state-of-the-art performance across diverse entity types while maintaining computational efficiency remains a significant challenge. We introduce OpenMed NER, a suite of open-source, domain-adapted transformer models that combine lightweight domain-adaptive pre-training (DAPT) with parameter-efficient Low-Rank Adaptation (LoRA). Our approach performs cost-effective DAPT on a 350k-passage corpus compiled from ethically sourced, publicly available research repositories and de-identified clinical notes (PubMed, arXiv, and MIMIC-III) using DeBERTa-v3, PubMedBERT, and BioELECTRA backbones. This is followed by task-specific fine-tuning with LoRA, which updates less than 1.5% of model parameters. We evaluate our models on 12 established biomedical NER benchmarks spanning chemicals, diseases, genes, and species. OpenMed NER achieves new state-of-the-art micro-F1 scores on 10 of these 12 datasets, with substantial gains across diverse entity types. Our models advance the state-of-the-art on foundational disease and chemical benchmarks (e.g., BC5CDR-Disease, +2.70 pp), while delivering even larger improvements of over 5.3 and 9.7 percentage points on more specialized gene and clinical cell line corpora. This work demonstrates that strategically adapted open-source models can surpass closed-source solutions. This performance is achieved with remarkable efficiency: training completes in under 12 hours on a single GPU with a low carbon footprint (< 1.2 kg CO2e), producing permissively licensed, open-source checkpoints designed to help practitioners facilitate compliance with emerging data protection and AI regulations, such as the EU AI Act.

Ranking Free RAG: Replacing Re-ranking with Selection in RAG for Sensitive Domains

Traditional Retrieval-Augmented Generation (RAG) pipelines rely on similarity-based retrieval and re-ranking, which depend on heuristics such as top-k, and lack explainability, interpretability, and robustness against adversarial content. To address this gap, we propose a novel method METEORA that replaces re-ranking in RAG with a rationale-driven selection approach. METEORA operates in two stages. First, a general-purpose LLM is preference-tuned to generate rationales conditioned on the input query using direct preference optimization. These rationales guide the evidence chunk selection engine, which selects relevant chunks in three stages: pairing individual rationales with corresponding retrieved chunks for local relevance, global selection with elbow detection for adaptive cutoff, and context expansion via neighboring chunks. This process eliminates the need for top-k heuristics. The rationales are also used for consistency check using a Verifier LLM to detect and filter poisoned or misleading content for safe generation. The framework provides explainable and interpretable evidence flow by using rationales consistently across both selection and verification. Our evaluation across six datasets spanning legal, financial, and academic research domains shows that METEORA improves generation accuracy by 33.34% while using approximately 50% fewer chunks than state-of-the-art re-ranking methods. In adversarial settings, METEORA significantly improves the F1 score from 0.10 to 0.44 over the state-of-the-art perplexity-based defense baseline, demonstrating strong resilience to poisoning attacks. Code available at: https://anonymous.4open.science/r/METEORA-DC46/README.md

PMC-LLaMA: Towards Building Open-source Language Models for Medicine

Recently, Large Language Models (LLMs) have showcased remarkable capabilities in natural language understanding. While demonstrating proficiency in everyday conversations and question-answering situations, these models frequently struggle in domains that require precision, such as medical applications, due to their lack of domain-specific knowledge. In this paper, we describe the procedure for building a powerful, open-source language model specifically designed for medicine applications, termed as PMC-LLaMA. Our contributions are threefold: (i) we systematically investigate the process of adapting a general-purpose foundation language model towards medical domain, this involves data-centric knowledge injection through the integration of 4.8M biomedical academic papers and 30K medical textbooks, as well as comprehensive fine-tuning for alignment with domain-specific instructions; (ii) we contribute a large-scale, comprehensive dataset for instruction tuning. This dataset encompasses medical question-answering (QA), rationale for reasoning, and conversational dialogues, comprising a total of 202M tokens; (iii) we conduct thorough ablation studies to demonstrate the effectiveness of each proposed component. While evaluating on various public medical question-answering benchmarks, our lightweight PMCLLaMA, which consists of only 13 billion parameters, exhibits superior performance, even surpassing ChatGPT. All models, codes, datasets can be found in https://github.com/chaoyi-wu/PMC-LLaMA.

Accelerating the Search for Superconductors Using Machine Learning

Prediction of critical temperature (T_c) of a superconductor remains a significant challenge in condensed matter physics. While the BCS theory explains superconductivity in conventional superconductors, there is no framework to predict T_c of unconventional, higher T_{c} superconductors. Quantum Structure Diagrams (QSD) were successful in establishing structure-property relationship for superconductors, quasicrystals, and ferroelectric materials starting from chemical composition. Building on the QSD ideas, we demonstrate that the principal component analysis of superconductivity data uncovers the clustering of various classes of superconductors. We use machine learning analysis and cleaned databases of superconductors to develop predictive models of T_c of a superconductor using its chemical composition. Earlier studies relied on datasets with inconsistencies, leading to suboptimal predictions. To address this, we introduce a data-cleaning workflow to enhance the statistical quality of superconducting databases by eliminating redundancies and resolving inconsistencies. With this improvised database, we apply a supervised machine learning framework and develop a Random Forest model to predict superconductivity and T_c as a function of descriptors motivated from Quantum Structure Diagrams. We demonstrate that this model generalizes effectively in reasonably accurate prediction of T_{c} of compounds outside the database. We further employ our model to systematically screen materials across materials databases as well as various chemically plausible combinations of elements and predict Tl_{5}Ba_{6}Ca_{6}Cu_{9}O_{29} to exhibit superconductivity with a T_{c} sim 105 K. Being based on the descriptors used in QSD's, our model bypasses structural information and predicts T_{c} merely from the chemical composition.

A Labelled Dataset for Sentiment Analysis of Videos on YouTube, TikTok, and Other Sources about the 2024 Outbreak of Measles

The work of this paper presents a dataset that contains the data of 4011 videos about the ongoing outbreak of measles published on 264 websites on the internet between January 1, 2024, and May 31, 2024. The dataset is available at https://dx.doi.org/10.21227/40s8-xf63. These websites primarily include YouTube and TikTok, which account for 48.6% and 15.2% of the videos, respectively. The remainder of the websites include Instagram and Facebook as well as the websites of various global and local news organizations. For each of these videos, the URL of the video, title of the post, description of the post, and the date of publication of the video are presented as separate attributes in the dataset. After developing this dataset, sentiment analysis (using VADER), subjectivity analysis (using TextBlob), and fine-grain sentiment analysis (using DistilRoBERTa-base) of the video titles and video descriptions were performed. This included classifying each video title and video description into (i) one of the sentiment classes i.e. positive, negative, or neutral, (ii) one of the subjectivity classes i.e. highly opinionated, neutral opinionated, or least opinionated, and (iii) one of the fine-grain sentiment classes i.e. fear, surprise, joy, sadness, anger, disgust, or neutral. These results are presented as separate attributes in the dataset for the training and testing of machine learning algorithms for performing sentiment analysis or subjectivity analysis in this field as well as for other applications. Finally, this paper also presents a list of open research questions that may be investigated using this dataset.

Machine Learning Force Fields with Data Cost Aware Training

Machine learning force fields (MLFF) have been proposed to accelerate molecular dynamics (MD) simulation, which finds widespread applications in chemistry and biomedical research. Even for the most data-efficient MLFFs, reaching chemical accuracy can require hundreds of frames of force and energy labels generated by expensive quantum mechanical algorithms, which may scale as O(n^3) to O(n^7), with n proportional to the number of basis functions. To address this issue, we propose a multi-stage computational framework -- ASTEROID, which lowers the data cost of MLFFs by leveraging a combination of cheap inaccurate data and expensive accurate data. The motivation behind ASTEROID is that inaccurate data, though incurring large bias, can help capture the sophisticated structures of the underlying force field. Therefore, we first train a MLFF model on a large amount of inaccurate training data, employing a bias-aware loss function to prevent the model from overfitting tahe potential bias of this data. We then fine-tune the obtained model using a small amount of accurate training data, which preserves the knowledge learned from the inaccurate training data while significantly improving the model's accuracy. Moreover, we propose a variant of ASTEROID based on score matching for the setting where the inaccurate training data are unlabeled. Extensive experiments on MD datasets and downstream tasks validate the efficacy of ASTEROID. Our code and data are available at https://github.com/abukharin3/asteroid.

Revolutionizing Database Q&A with Large Language Models: Comprehensive Benchmark and Evaluation

The development of Large Language Models (LLMs) has revolutionized Q&A across various industries, including the database domain. However, there is still a lack of a comprehensive benchmark to evaluate the capabilities of different LLMs and their modular components in database Q&A. To this end, we introduce DQA, the first comprehensive database Q&A benchmark. DQA features an innovative LLM-based method for automating the generation, cleaning, and rewriting of database Q&A, resulting in over 240,000 Q&A pairs in English and Chinese. These Q&A pairs cover nearly all aspects of database knowledge, including database manuals, database blogs, and database tools. This inclusion allows for additional assessment of LLMs' Retrieval-Augmented Generation (RAG) and Tool Invocation Generation (TIG) capabilities in the database Q&A task. Furthermore, we propose a comprehensive LLM-based database Q&A testbed on DQA. This testbed is highly modular and scalable, with both basic and advanced components like Question Classification Routing (QCR), RAG, TIG, and Prompt Template Engineering (PTE). Besides, DQA provides a complete evaluation pipeline, featuring diverse metrics and a standardized evaluation process to ensure comprehensiveness, accuracy, and fairness. We use DQA to evaluate the database Q&A capabilities under the proposed testbed comprehensively. The evaluation reveals findings like (i) the strengths and limitations of nine different LLM-based Q&A bots and (ii) the performance impact and potential improvements of various service components (e.g., QCR, RAG, TIG). We hope our benchmark and findings will better guide the future development of LLM-based database Q&A research.

The SourceData-NLP dataset: integrating curation into scientific publishing for training large language models

Introduction: The scientific publishing landscape is expanding rapidly, creating challenges for researchers to stay up-to-date with the evolution of the literature. Natural Language Processing (NLP) has emerged as a potent approach to automating knowledge extraction from this vast amount of publications and preprints. Tasks such as Named-Entity Recognition (NER) and Named-Entity Linking (NEL), in conjunction with context-dependent semantic interpretation, offer promising and complementary approaches to extracting structured information and revealing key concepts. Results: We present the SourceData-NLP dataset produced through the routine curation of papers during the publication process. A unique feature of this dataset is its emphasis on the annotation of bioentities in figure legends. We annotate eight classes of biomedical entities (small molecules, gene products, subcellular components, cell lines, cell types, tissues, organisms, and diseases), their role in the experimental design, and the nature of the experimental method as an additional class. SourceData-NLP contains more than 620,000 annotated biomedical entities, curated from 18,689 figures in 3,223 papers in molecular and cell biology. We illustrate the dataset's usefulness by assessing BioLinkBERT and PubmedBERT, two transformers-based models, fine-tuned on the SourceData-NLP dataset for NER. We also introduce a novel context-dependent semantic task that infers whether an entity is the target of a controlled intervention or the object of measurement. Conclusions: SourceData-NLP's scale highlights the value of integrating curation into publishing. Models trained with SourceData-NLP will furthermore enable the development of tools able to extract causal hypotheses from the literature and assemble them into knowledge graphs.

Procedural Generation of Grain Orientations using the Wave Function Collapse Algorithm

Statistics of grain sizes and orientations in metals correlate to the material's mechanical properties. Reproducing representative volume elements for further analysis of deformation and failure in metals, like 316L stainless steel, is particularly important due to their wide use in manufacturing goods today. Two approaches, initially created for video games, were considered for the procedural generation of representative grain microstructures. The first is the Wave Function Collapse (WFC) algorithm, and the second is constraint propagation and probabilistic inference through Markov Junior, a free and open-source software. This study aimed to investigate these two algorithms' effectiveness in using reference electron backscatter diffraction (EBSD) maps and recreating a statistically similar one that could be used in further research. It utilized two stainless steel EBSD maps as references to test both algorithms. First, the WFC algorithm was too constricting and, thus, incapable of producing images that resembled EBSDs. The second, MarkovJunior, was much more effective in creating a Voronoi tessellation that could be used to create an EBSD map in Python. When comparing the results between the reference and the generated EBSD, we discovered that the orientation and volume fractions were extremely similar. With the study, it was concluded that MarkovJunior is an effective machine learning tool that can reproduce representative grain microstructures.

New Methods for Metadata Extraction from Scientific Literature

Within the past few decades we have witnessed digital revolution, which moved scholarly communication to electronic media and also resulted in a substantial increase in its volume. Nowadays keeping track with the latest scientific achievements poses a major challenge for the researchers. Scientific information overload is a severe problem that slows down scholarly communication and knowledge propagation across the academia. Modern research infrastructures facilitate studying scientific literature by providing intelligent search tools, proposing similar and related documents, visualizing citation and author networks, assessing the quality and impact of the articles, and so on. In order to provide such high quality services the system requires the access not only to the text content of stored documents, but also to their machine-readable metadata. Since in practice good quality metadata is not always available, there is a strong demand for a reliable automatic method of extracting machine-readable metadata directly from source documents. This research addresses these problems by proposing an automatic, accurate and flexible algorithm for extracting wide range of metadata directly from scientific articles in born-digital form. Extracted information includes basic document metadata, structured full text and bibliography section. Designed as a universal solution, proposed algorithm is able to handle a vast variety of publication layouts with high precision and thus is well-suited for analyzing heterogeneous document collections. This was achieved by employing supervised and unsupervised machine-learning algorithms trained on large, diverse datasets. The evaluation we conducted showed good performance of proposed metadata extraction algorithm. The comparison with other similar solutions also proved our algorithm performs better than competition for most metadata types.

DAPFAM: A Domain-Aware Patent Retrieval Dataset Aggregated at the Family Level

In the landscape of publicly available patent retrieval datasets, the need for explicit indomain and out-of-domain labeling, multi-jurisdiction coverage, balanced query domain representation and manageable sizes that support sub document level experiments on moderate computational resources is often overlooked. To address these gaps, we propose DAPFAM, a new open access domain-aware patent retrieval dataset constructed at the simple-family level. The dataset contains 1,247 domain balanced full text query families and 45,336 full text target families. The dataset is enriched by clear relevance judgments (forward/backward citations as positive links, random negatives), as well as explicit in-domain or out-of-domain relationships via a novel proposed labelling scheme based on via International Patent Classification (IPC) codes, resulting in 49,869 evaluation pairs. The dataset is multi jurisdictional, requires little to no preprocessing for retrieval evaluation, and remains of a size manageable for entities with limited ressources allowing for sub document level retrieval experiments without excessive computational costs. We describe our three-step data-curation pipeline, present comprehensive dataset statistics, and provide baseline experiments using lexical and neural retrieval methods. Our baseline experiments highlight significant challenges in crossdomain patent retrieval. The dataset will be publicly available (for now the access link is this repository: https://osf.io/vbyzd/?view_only=1a40242e0d1941a58aa854af3e50cf6b).

A Named Entity Based Approach to Model Recipes

Traditional cooking recipes follow a structure which can be modelled very well if the rules and semantics of the different sections of the recipe text are analyzed and represented accurately. We propose a structure that can accurately represent the recipe as well as a pipeline to infer the best representation of the recipe in this uniform structure. The Ingredients section in a recipe typically lists down the ingredients required and corresponding attributes such as quantity, temperature, and processing state. This can be modelled by defining these attributes and their values. The physical entities which make up a recipe can be broadly classified into utensils, ingredients and their combinations that are related by cooking techniques. The instruction section lists down a series of events in which a cooking technique or process is applied upon these utensils and ingredients. We model these relationships in the form of tuples. Thus, using a combination of these methods we model cooking recipe in the dataset RecipeDB to show the efficacy of our method. This mined information model can have several applications which include translating recipes between languages, determining similarity between recipes, generation of novel recipes and estimation of the nutritional profile of recipes. For the purpose of recognition of ingredient attributes, we train the Named Entity Relationship (NER) models and analyze the inferences with the help of K-Means clustering. Our model presented with an F1 score of 0.95 across all datasets. We use a similar NER tagging model for labelling cooking techniques (F1 score = 0.88) and utensils (F1 score = 0.90) within the instructions section. Finally, we determine the temporal sequence of relationships between ingredients, utensils and cooking techniques for modeling the instruction steps.

CAvity DEtection Tool (CADET): Pipeline for automatic detection of X-ray cavities in hot galactic and cluster atmospheres

The study of jet-inflated X-ray cavities provides a powerful insight into the energetics of hot galactic atmospheres and radio-mechanical AGN feedback. By estimating the volumes of X-ray cavities, the total energy and thus also the corresponding mechanical jet power required for their inflation can be derived. Properly estimating their total extent is, however, non-trivial, prone to biases, nearly impossible for poor-quality data, and so far has been done manually by scientists. We present a novel and automated machine-learning pipeline called Cavity Detection Tool (CADET), developed to detect and estimate the sizes of X-ray cavities from raw Chandra images. The pipeline consists of a convolutional neural network trained for producing pixel-wise cavity predictions and a DBSCAN clustering algorithm, which decomposes the predictions into individual cavities. The convolutional network was trained using mock observations of early-type galaxies simulated to resemble real noisy Chandra-like images. The network's performance has been tested on simulated data obtaining an average cavity volume error of 14 % at an 89 % true-positive rate. For simulated images without any X-ray cavities inserted, we obtain a 5 % false-positive rate. When applied to real Chandra images, the pipeline recovered 91 out of 100 previously known X-ray cavities in nearby early-type galaxies and all 14 cavities in chosen galaxy clusters. Besides that, the CADET pipeline discovered 8 new cavity pairs in atmospheres of early-type galaxies and galaxy clusters (IC4765, NGC533, NGC2300, NGC3091, NGC4073, NGC4125, NGC4472, NGC5129) and a number of potential cavity candidates.

Harnessing the Hubble Space Telescope Archives: A Catalogue of 21,926 Interacting Galaxies

Mergers play a complex role in galaxy formation and evolution. Continuing to improve our understanding of these systems require ever larger samples, which can be difficult (even impossible) to select from individual surveys. We use the new platform ESA Datalabs to assemble a catalogue of interacting galaxies from the Hubble Space Telescope science archives; this catalogue is larger than previously published catalogues by nearly an order of magnitude. In particular, we apply the Zoobot convolutional neural network directly to the entire public archive of HST F814W images and make probabilistic interaction predictions for 126 million sources from the Hubble Source Catalogue. We employ a combination of automated visual representation and visual analysis to identify a clean sample of 21,926 interacting galaxy systems, mostly with z < 1. Sixty five percent of these systems have no previous references in either the NASA Extragalactic Database or Simbad. In the process of removing contamination, we also discover many other objects of interest, such as gravitational lenses, edge-on protoplanetary disks, and `backlit' overlapping galaxies. We briefly investigate the basic properties of this sample, and we make our catalogue publicly available for use by the community. In addition to providing a new catalogue of scientifically interesting objects imaged by HST, this work also demonstrates the power of the ESA Datalabs tool to facilitate substantial archival analysis without placing a high computational or storage burden on the end user.

Newswire: A Large-Scale Structured Database of a Century of Historical News

In the U.S. historically, local newspapers drew their content largely from newswires like the Associated Press. Historians argue that newswires played a pivotal role in creating a national identity and shared understanding of the world, but there is no comprehensive archive of the content sent over newswires. We reconstruct such an archive by applying a customized deep learning pipeline to hundreds of terabytes of raw image scans from thousands of local newspapers. The resulting dataset contains 2.7 million unique public domain U.S. newswire articles, written between 1878 and 1977. Locations in these articles are georeferenced, topics are tagged using customized neural topic classification, named entities are recognized, and individuals are disambiguated to Wikipedia using a novel entity disambiguation model. To construct the Newswire dataset, we first recognize newspaper layouts and transcribe around 138 millions structured article texts from raw image scans. We then use a customized neural bi-encoder model to de-duplicate reproduced articles, in the presence of considerable abridgement and noise, quantifying how widely each article was reproduced. A text classifier is used to ensure that we only include newswire articles, which historically are in the public domain. The structured data that accompany the texts provide rich information about the who (disambiguated individuals), what (topics), and where (georeferencing) of the news that millions of Americans read over the course of a century. We also include Library of Congress metadata information about the newspapers that ran the articles on their front pages. The Newswire dataset is useful both for large language modeling - expanding training data beyond what is available from modern web texts - and for studying a diversity of questions in computational linguistics, social science, and the digital humanities.

MIRIAD: Augmenting LLMs with millions of medical query-response pairs

LLMs are bound to transform healthcare with advanced decision support and flexible chat assistants. However, LLMs are prone to generate inaccurate medical content. To ground LLMs in high-quality medical knowledge, LLMs have been equipped with external knowledge via RAG, where unstructured medical knowledge is split into small text chunks that can be selectively retrieved and integrated into the LLMs context. Yet, existing RAG pipelines rely on raw, unstructured medical text, which can be noisy, uncurated and difficult for LLMs to effectively leverage. Systematic approaches to organize medical knowledge to best surface it to LLMs are generally lacking. To address these challenges, we introduce MIRIAD, a large-scale, curated corpus of 5,821,948 medical QA pairs, each rephrased from and grounded in a passage from peer-reviewed medical literature using a semi-automated pipeline combining LLM generation, filtering, grounding, and human annotation. Unlike prior medical corpora, which rely on unstructured text, MIRIAD encapsulates web-scale medical knowledge in an operationalized query-response format, which enables more targeted retrieval. Experiments on challenging medical QA benchmarks show that augmenting LLMs with MIRIAD improves accuracy up to 6.7% compared to unstructured RAG baselines with the same source corpus and with the same amount of retrieved text. Moreover, MIRIAD improved the ability of LLMs to detect medical hallucinations by 22.5 to 37% (increase in F1 score). We further introduce MIRIAD-Atlas, an interactive map of MIRIAD spanning 56 medical disciplines, enabling clinical users to visually explore, search, and refine medical knowledge. MIRIAD promises to unlock a wealth of down-stream applications, including medical information retrievers, enhanced RAG applications, and knowledge-grounded chat interfaces, which ultimately enables more reliable LLM applications in healthcare.

A Survey for Large Language Models in Biomedicine

Recent breakthroughs in large language models (LLMs) offer unprecedented natural language understanding and generation capabilities. However, existing surveys on LLMs in biomedicine often focus on specific applications or model architectures, lacking a comprehensive analysis that integrates the latest advancements across various biomedical domains. This review, based on an analysis of 484 publications sourced from databases including PubMed, Web of Science, and arXiv, provides an in-depth examination of the current landscape, applications, challenges, and prospects of LLMs in biomedicine, distinguishing itself by focusing on the practical implications of these models in real-world biomedical contexts. Firstly, we explore the capabilities of LLMs in zero-shot learning across a broad spectrum of biomedical tasks, including diagnostic assistance, drug discovery, and personalized medicine, among others, with insights drawn from 137 key studies. Then, we discuss adaptation strategies of LLMs, including fine-tuning methods for both uni-modal and multi-modal LLMs to enhance their performance in specialized biomedical contexts where zero-shot fails to achieve, such as medical question answering and efficient processing of biomedical literature. Finally, we discuss the challenges that LLMs face in the biomedicine domain including data privacy concerns, limited model interpretability, issues with dataset quality, and ethics due to the sensitive nature of biomedical data, the need for highly reliable model outputs, and the ethical implications of deploying AI in healthcare. To address these challenges, we also identify future research directions of LLM in biomedicine including federated learning methods to preserve data privacy and integrating explainable AI methodologies to enhance the transparency of LLMs.

Neural Databases

In recent years, neural networks have shown impressive performance gains on long-standing AI problems, and in particular, answering queries from natural language text. These advances raise the question of whether they can be extended to a point where we can relax the fundamental assumption of database management, namely, that our data is represented as fields of a pre-defined schema. This paper presents a first step in answering that question. We describe NeuralDB, a database system with no pre-defined schema, in which updates and queries are given in natural language. We develop query processing techniques that build on the primitives offered by the state of the art Natural Language Processing methods. We begin by demonstrating that at the core, recent NLP transformers, powered by pre-trained language models, can answer select-project-join queries if they are given the exact set of relevant facts. However, they cannot scale to non-trivial databases and cannot perform aggregation queries. Based on these findings, we describe a NeuralDB architecture that runs multiple Neural SPJ operators in parallel, each with a set of database sentences that can produce one of the answers to the query. The result of these operators is fed to an aggregation operator if needed. We describe an algorithm that learns how to create the appropriate sets of facts to be fed into each of the Neural SPJ operators. Importantly, this algorithm can be trained by the Neural SPJ operator itself. We experimentally validate the accuracy of NeuralDB and its components, showing that we can answer queries over thousands of sentences with very high accuracy.

M^{3}-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery

This paper introduces M^{3}-20M, a large-scale Multi-Modal Molecular dataset that contains over 20 million molecules. Designed to support AI-driven drug design and discovery, M^{3}-20M is 71 times more in the number of molecules than the largest existing dataset, providing an unprecedented scale that can highly benefit training or fine-tuning large (language) models with superior performance for drug design and discovery. This dataset integrates one-dimensional SMILES, two-dimensional molecular graphs, three-dimensional molecular structures, physicochemical properties, and textual descriptions collected through web crawling and generated by using GPT-3.5, offering a comprehensive view of each molecule. To demonstrate the power of M^{3}-20M in drug design and discovery, we conduct extensive experiments on two key tasks: molecule generation and molecular property prediction, using large language models including GLM4, GPT-3.5, and GPT-4. Our experimental results show that M^{3}-20M can significantly boost model performance in both tasks. Specifically, it enables the models to generate more diverse and valid molecular structures and achieve higher property prediction accuracy than the existing single-modal datasets, which validates the value and potential of M^{3}-20M in supporting AI-driven drug design and discovery. The dataset is available at https://github.com/bz99bz/M-3.

EasyNER: A Customizable Easy-to-Use Pipeline for Deep Learning- and Dictionary-based Named Entity Recognition from Medical Text

Medical research generates a large number of publications with the PubMed database already containing >35 million research articles. Integration of the knowledge scattered across this large body of literature could provide key insights into physiological mechanisms and disease processes leading to novel medical interventions. However, it is a great challenge for researchers to utilize this information in full since the scale and complexity of the data greatly surpasses human processing abilities. This becomes especially problematic in cases of extreme urgency like the COVID-19 pandemic. Automated text mining can help extract and connect information from the large body of medical research articles. The first step in text mining is typically the identification of specific classes of keywords (e.g., all protein or disease names), so called Named Entity Recognition (NER). Here we present an end-to-end pipeline for NER of typical entities found in medical research articles, including diseases, cells, chemicals, genes/proteins, and species. The pipeline can access and process large medical research article collections (PubMed, CORD-19) or raw text and incorporates a series of deep learning models fine-tuned on the HUNER corpora collection. In addition, the pipeline can perform dictionary-based NER related to COVID-19 and other medical topics. Users can also load their own NER models and dictionaries to include additional entities. The output consists of publication-ready ranked lists and graphs of detected entities and files containing the annotated texts. An associated script allows rapid inspection of the results for specific entities of interest. As model use cases, the pipeline was deployed on two collections of autophagy-related abstracts from PubMed and on the CORD19 dataset, a collection of 764 398 research article abstracts related to COVID-19.

A Dataset for Distilling Knowledge Priors from Literature for Therapeutic Design

AI-driven discovery can greatly reduce design time and enhance new therapeutics' effectiveness. Models using simulators explore broad design spaces but risk violating implicit constraints due to a lack of experimental priors. For example, in a new analysis we performed on a diverse set of models on the GuacaMol benchmark using supervised classifiers, over 60\% of molecules proposed had high probability of being mutagenic. In this work, we introduce \ourdataset, a dataset of priors for design problems extracted from literature describing compounds used in lab settings. It is constructed with LLM pipelines for discovering therapeutic entities in relevant paragraphs and summarizing information in concise fair-use facts. \ourdataset~ consists of 32.3 million pairs of natural language facts, and appropriate entity representations (i.e. SMILES or refseq IDs). To demonstrate the potential of the data, we train LLM, CLIP, and LLava architectures to reason jointly about text and design targets and evaluate on tasks from the Therapeutic Data Commons (TDC). \ourdataset~is highly effective for creating models with strong priors: in supervised prediction problems that use our data as pretraining, our best models with 15M learnable parameters outperform larger 2B TxGemma on both regression and classification TDC tasks, and perform comparably to 9B models on average. Models built with \ourdataset~can be used as constraints while optimizing for novel molecules in GuacaMol, resulting in proposals that are safer and nearly as effective. We release our dataset at https://huggingface.co/datasets/medexanon/Medex{huggingface.co/datasets/medexanon/Medex}, and will provide expanded versions as available literature grows.

Meaning at the Planck scale? Contextualized word embeddings for doing history, philosophy, and sociology of science

This paper explores the potential of contextualized word embeddings (CWEs) as a new tool in the history, philosophy, and sociology of science (HPSS) for studying contextual and evolving meanings of scientific concepts. Using the term "Planck" as a test case, I evaluate five BERT-based models with varying degrees of domain-specific pretraining, including my custom model Astro-HEP-BERT, trained on the Astro-HEP Corpus, a dataset containing 21.84 million paragraphs from 600,000 articles in astrophysics and high-energy physics. For this analysis, I compiled two labeled datasets: (1) the Astro-HEP-Planck Corpus, consisting of 2,900 labeled occurrences of "Planck" sampled from 1,500 paragraphs in the Astro-HEP Corpus, and (2) a physics-related Wikipedia dataset comprising 1,186 labeled occurrences of "Planck" across 885 paragraphs. Results demonstrate that the domain-adapted models outperform the general-purpose ones in disambiguating the target term, predicting its known meanings, and generating high-quality sense clusters, as measured by a novel purity indicator I developed. Additionally, this approach reveals semantic shifts in the target term over three decades in the unlabeled Astro-HEP Corpus, highlighting the emergence of the Planck space mission as a dominant sense. The study underscores the importance of domain-specific pretraining for analyzing scientific language and demonstrates the cost-effectiveness of adapting pretrained models for HPSS research. By offering a scalable and transferable method for modeling the meanings of scientific concepts, CWEs open up new avenues for investigating the socio-historical dynamics of scientific discourses.

BIOSCAN-5M: A Multimodal Dataset for Insect Biodiversity

As part of an ongoing worldwide effort to comprehend and monitor insect biodiversity, this paper presents the BIOSCAN-5M Insect dataset to the machine learning community and establish several benchmark tasks. BIOSCAN-5M is a comprehensive dataset containing multi-modal information for over 5 million insect specimens, and it significantly expands existing image-based biological datasets by including taxonomic labels, raw nucleotide barcode sequences, assigned barcode index numbers, and geographical information. We propose three benchmark experiments to demonstrate the impact of the multi-modal data types on the classification and clustering accuracy. First, we pretrain a masked language model on the DNA barcode sequences of the BIOSCAN-5M dataset, and demonstrate the impact of using this large reference library on species- and genus-level classification performance. Second, we propose a zero-shot transfer learning task applied to images and DNA barcodes to cluster feature embeddings obtained from self-supervised learning, to investigate whether meaningful clusters can be derived from these representation embeddings. Third, we benchmark multi-modality by performing contrastive learning on DNA barcodes, image data, and taxonomic information. This yields a general shared embedding space enabling taxonomic classification using multiple types of information and modalities. The code repository of the BIOSCAN-5M Insect dataset is available at {https://github.com/zahrag/BIOSCAN-5M}

BioBERT: a pre-trained biomedical language representation model for biomedical text mining

Biomedical text mining is becoming increasingly important as the number of biomedical documents rapidly grows. With the progress in natural language processing (NLP), extracting valuable information from biomedical literature has gained popularity among researchers, and deep learning has boosted the development of effective biomedical text mining models. However, directly applying the advancements in NLP to biomedical text mining often yields unsatisfactory results due to a word distribution shift from general domain corpora to biomedical corpora. In this article, we investigate how the recently introduced pre-trained language model BERT can be adapted for biomedical corpora. We introduce BioBERT (Bidirectional Encoder Representations from Transformers for Biomedical Text Mining), which is a domain-specific language representation model pre-trained on large-scale biomedical corpora. With almost the same architecture across tasks, BioBERT largely outperforms BERT and previous state-of-the-art models in a variety of biomedical text mining tasks when pre-trained on biomedical corpora. While BERT obtains performance comparable to that of previous state-of-the-art models, BioBERT significantly outperforms them on the following three representative biomedical text mining tasks: biomedical named entity recognition (0.62% F1 score improvement), biomedical relation extraction (2.80% F1 score improvement) and biomedical question answering (12.24% MRR improvement). Our analysis results show that pre-training BERT on biomedical corpora helps it to understand complex biomedical texts. We make the pre-trained weights of BioBERT freely available at https://github.com/naver/biobert-pretrained, and the source code for fine-tuning BioBERT available at https://github.com/dmis-lab/biobert.